A0A060XYF5_ONCMY Loading...

Guanylate kinase

AlphaFold DB , UniProt , Accession A0A060XYF5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC118936258, Length 199 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
1M47.6Very low87.1Confident243 Ų24345.8 Ų45.8100%1.19728%0.278SS*.  0144.40-68.6178.8-129.300107.3G3M1-G3 PolarHBondContact O-N 3.35Å
2A67.1Low87.5Confident104 Ų10442.3 Ų42.386%0.8626%0.257SS*.  trans-60.8129.9170.300000108
3G79.8Confident87.2Confident48 Ų4841.9 Ų41.950%0.49526%0.257SS..  trans-63.3179178.600000112.5M1M1-G3 PolarHBondContact O-N 3.35Å
4P91.5Very high87.2Confident16 Ų1639.2 Ų39.210%0.10424%0.242CC..PPolyproline II helixtrans-56.9142.4-177.2-22.834.6000111.8P6 N95 I97 V192P4-P6 WeakPolarHBondContact O-CD 3.33Å; P4-N95 WeakPolarHBondContact CD-OD1 3.38Å; P4-I97 HydrophobicContact CB-CG1 3.77Å; P4-V192 HydrophobicContact CB-CG2 3.68Å; P4-V192 HydrophobicContact CG-CG2 3.47Å; P4-V192 VanDerWaalsContact CG-CG2 3.47Å
5R94.9Very high87.6Confident79 Ų7936.6 Ų36.630%0.29823%0.226SC..PPolyproline II helixtrans-67.4127-179.5-167.7177.3171.8-161.5-8.2109.3N116 P117 I118 D166 E188R5-N116 WeakPolarHBondContact CD-O 3.04Å; R5-N116 WeakPolarHBondContact CG-O 3.37Å; R5-N116 PolarHBondContact NE-O 2.99Å; R5-P117 PolarHBondContact NH2-O 2.9Å; R5-I118 HydrophobicContact CG-CG1 4.37Å; R5-D166 IonicContact NH2-OD2 3.96Å; R5-E188 HydrophobicContact CB-CG 4.35Å; R5-E188 PolarHBondContact N-OE2 3.44Å
6P96.4Very high87.8Confident6 Ų634.9 Ų34.94%0.03922%0.218CC..PPolyproline II helixtrans-65.6166.6178.2-20.133000112.4P4 C98 L100 L115 P117 I118P4-P6 WeakPolarHBondContact O-CD 3.33Å; P6-C98 CarbonylContact C-O 3.49Å; P6-C98 VanDerWaalsContact CA-O 3.27Å; P6-C98 WeakPolarHBondContact CA-O 3.38Å; P6-C98 HydrophobicContact CB-CB 4.09Å; P6-C98 WeakPolarHBondContact CB-O 3.43Å; P6-C98 HydrophobicContact CG-CB 4.44Å; P6-L100 HydrophobicContact CB-CD1 4.18Å; P6-L115 HydrophobicContact CB-CD1 4.49Å; P6-L115 HydrophobicContact CB-CG 4.41Å; P6-L115 HydrophobicContact CG-CD1 3.74Å; P6-L115 HydrophobicContact CG-CG 4.02Å; P6-P117 HydrophobicContact CB-CB 4.07Å; P6-P117 CarbonylContact O-C 3.44Å; P6-P117 WeakPolarHBondContact O-CA 3.27Å; P6-P117 WeakPolarHBondContact O-CB 3.29Å; P6-I118 PolarHBondContact O-N 2.97Å
7V97.8Very high88.1Confident2 Ų234.2 Ų34.21%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-125.9128.1177178.10000108.9L9 I97 C98 V99 L100 I118 I120 L185V7-L9 HydrophobicContact CG1-CD1 4.43Å; V7-I97 HydrophobicContact CG2-CG2 3.72Å; V7-C98 PolarHBondContact N-O 2.88Å; V7-V99 CarbonylContact O-C 3.55Å; V7-V99 WeakPolarHBondContact O-CA 3.34Å; V7-L100 PolarHBondContact O-N 3.11Å; V7-I118 WeakPolarHBondContact CA-O 3.38Å; V7-I118 HydrophobicContact CG2-CB 4.42Å; V7-I120 HydrophobicContact CG1-CD1 4.04Å; V7-L185 HydrophobicContact CB-CD2 4.37Å; V7-L185 HydrophobicContact CG1-CD1 4.44Å; V7-L185 HydrophobicContact CG1-CD2 4.04Å; V7-L185 HydrophobicContact CG2-CD1 4.35Å; V7-L185 HydrophobicContact CG2-CD2 3.37Å; V7-L185 HydrophobicContact CG2-CG 4.49Å
8V97Very high88.2Confident0 Ų036.7 Ų36.70%023%0.229CC..EExtended strand (participates in β ladder)trans-100.9118.4169.3165.80000108L100 I102 V107 V110 P117 I118 Y119 I120V8-L100 HydrophobicContact CG2-CB 4.07Å; V8-L100 HydrophobicContact CG2-CD2 4.34Å; V8-I102 HydrophobicContact CG1-CD1 3.78Å; V8-I102 HydrophobicContact CG1-CG1 3.75Å; V8-I102 HydrophobicContact CG2-CD1 4.05Å; V8-V107 HydrophobicContact CG1-CG2 3.87Å; V8-V110 HydrophobicContact CG2-CG1 4.3Å; V8-P117 HydrophobicContact CB-CB 4.41Å; V8-P117 HydrophobicContact CB-CG 4.34Å; V8-P117 HydrophobicContact CG2-CB 3.79Å; V8-P117 HydrophobicContact CG2-CG 3.59Å; V8-I118 PolarHBondContact N-O 3.28Å; V8-Y119 HydrophobicContact CB-CD1 3.88Å; V8-Y119 HydrophobicContact CB-CE1 4.28Å; V8-Y119 HydrophobicContact CG1-CD1 3.91Å; V8-Y119 HydrophobicContact CG1-CE1 4.39Å; V8-Y119 HydrophobicContact CG2-CD1 4.31Å; V8-Y119 HydrophobicContact CG2-CE1 4.2Å; V8-I120 PolarHBondContact O-N 3.07Å
9L96.6Very high88.5Confident1 Ų138.6 Ų38.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-99.9122.2167.5-134.382.2000108.5V7 K17 L21 L100 D101 I102 I120 I122 L181V7-L9 HydrophobicContact CG1-CD1 4.43Å; L9-K17 HydrophobicContact CD2-CB 4.07Å; L9-K17 HydrophobicContact CD2-CG 4.29Å; L9-L21 HydrophobicContact CD2-CD1 4.26Å; L9-L21 HydrophobicContact CD2-CD2 3.83Å; L9-L21 HydrophobicContact CD2-CG 3.82Å; L9-L100 PolarHBondContact N-O 3.09Å; L9-D101 WeakPolarHBondContact O-CA 3.49Å; L9-I102 PolarHBondContact O-N 3.34Å; L9-I120 WeakPolarHBondContact CA-O 3.39Å; L9-I120 HydrophobicContact CD1-CB 3.87Å; L9-I120 HydrophobicContact CD1-CD1 4.28Å; L9-I120 HydrophobicContact CD1-CG2 4.05Å; L9-I122 HydrophobicContact CD1-CD1 4.38Å; L9-I122 HydrophobicContact CD2-CD1 4.23Å; L9-I122 HydrophobicContact CD2-CG1 3.74Å; L9-I122 HydrophobicContact CG-CD1 4.26Å; L9-I122 HydrophobicContact CG-CG1 3.89Å; L9-L181 HydrophobicContact CD1-CD1 3.82Å
10S95.3Very high88.8Confident0 Ų036.7 Ų36.70%023%0.229CC..EExtended strand (participates in β ladder)trans-129.6170.3175-161.90000110.9I102 I120 F121 I122S10-I102 WeakPolarHBondContact CA-O 3.34Å; S10-I102 VanDerWaalsContact CB-O 3.26Å; S10-I102 WeakPolarHBondContact CB-O 3.43Å; S10-I102 PolarHBondContact OG-O 2.73Å; S10-I120 PolarHBondContact N-O 3.15Å; S10-F121 CarbonylContact O-C 3.59Å; S10-F121 WeakPolarHBondContact O-CA 3.46Å; S10-I122 PolarHBondContact O-N 3.25Å
11G94.4Very high89.1Confident5 Ų535.2 Ų35.25%0.05222%0.22CC..  trans145.7160.4-174.200000111.9K17 F121 I122G11-K17 PolarHBondContact O-NZ 3Å; G11-F121 VanDerWaalsContact CA-CE2 3.46Å; G11-I122 WeakPolarHBondContact CA-O 3.38Å
12P91.8Very high91.3Very high3 Ų331.5 Ų31.52%0.01920%0.197CC..  trans-63.7156.6-178.224-31.4000112.2G14 A15 K17 P124 L130 A152P12-G14 PolarHBondContact O-N 2.89Å; P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CB 3.44Å; P12-A15 PolarHBondContact O-N 2.89Å; P12-A15 VanDerWaalsContact O-N 3.09Å; P12-K17 PolarHBondContact O-NZ 3.4Å; P12-P124 HydrophobicContact CG-CG 4.18Å; P12-L130 HydrophobicContact CB-CD2 4.03Å; P12-L130 HydrophobicContact CG-CD1 4.43Å; P12-L130 HydrophobicContact CG-CD2 4.12Å; P12-A152 HydrophobicContact CB-CB 3.38Å; P12-A152 HydrophobicContact CG-CB 4.11Å
13S84.1Confident92.6Very high38 Ų3830 Ų3027%0.26617%0.171SC..THydrogen-bonded Turntrans-58133168.7-176.10000109.5L130 R148S13-L130 WeakPolarHBondContact O-CD1 3.43Å; S13-R148 PolarHBondContact OG-NH1 3.13Å
14G86.6Confident93.4Very high4 Ų427.9 Ų27.94%0.04115%0.148CC..THydrogen-bonded Turntrans91.4-6.8-175.100000114.8P12 G16 L130 R133P12-G14 PolarHBondContact O-N 2.89Å; G14-G16 PolarHBondContact O-N 3.21Å; G14-L130 VanDerWaalsContact C-CD1 3.45Å; G14-R133 WeakPolarHBondContact O-CD 3.44Å
15A92.8Very high93.4Very high0 Ų029.7 Ų29.70%016%0.157CC..SBendtrans-68-16.6177.700000114.4P12 I122 N171P12-A15 HydrophobicContact CG-CB 4.08Å; P12-A15 WeakPolarHBondContact O-CB 3.44Å; P12-A15 PolarHBondContact O-N 2.89Å; P12-A15 VanDerWaalsContact O-N 3.09Å; A15-I122 HydrophobicContact CB-CB 4.41Å; A15-I122 HydrophobicContact CB-CG2 4.07Å; A15-I122 VanDerWaalsContact CB-O 3.3Å; A15-I122 WeakPolarHBondContact CB-O 3.33Å; A15-I122 WeakPolarHBondContact O-CG2 3.33Å; A15-N171 PolarHBondContact O-ND2 3.38Å
16G91.6Very high93.4Very high9 Ų934.3 Ų34.39%0.09318%0.179CC..SBendtrans97.114.517800000115.7G14 S18 T19 L20G14-G16 PolarHBondContact O-N 3.21Å; G16-S18 PolarHBondContact O-N 2.86Å; G16-T19 WeakPolarHBondContact O-CB 3.4Å; G16-T19 PolarHBondContact O-N 2.93Å; G16-T19 VanDerWaalsContact O-N 3.15Å; G16-L20 PolarHBondContact O-N 3.35Å; G16-L20 VanDerWaalsContact O-N 3.09Å
17K93.2Very high93.4Very high24 Ų2438.4 Ų38.410%0.10420%0.197CC..Hα-helixtrans-48.4-56.8176.7-60.3-169-56.6-76.20113L9 G11 P12 T19 L20 L21 D101 I122L9-K17 HydrophobicContact CD2-CB 4.07Å; L9-K17 HydrophobicContact CD2-CG 4.29Å; G11-K17 PolarHBondContact O-NZ 3Å; P12-K17 PolarHBondContact O-NZ 3.4Å; K17-T19 PolarHBondContact O-N 2.93Å; K17-L20 PolarHBondContact O-N 3.07Å; K17-L20 VanDerWaalsContact O-N 3.09Å; K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 2.84Å; K17-D101 WeakPolarHBondContact CD-OD1 3.33Å; K17-D101 WeakPolarHBondContact CE-OD1 3.39Å; K17-I122 HydrophobicContact CG-CB 3.96Å; K17-I122 HydrophobicContact CG-CG1 3.99Å
18S89.5Confident93.2Very high78 Ų7839.9 Ų39.955%0.54520%0.203SC..Hα-helixtrans-59.6-33.6-178.3-40.10000112.8G16 K22G16-S18 PolarHBondContact O-N 2.86Å; S18-K22 VanDerWaalsContact O-CB 3.24Å; S18-K22 WeakPolarHBondContact O-CB 3.3Å; S18-K22 PolarHBondContact O-N 2.84Å
19T92.9Very high93Very high73 Ų7348.1 Ų48.145%0.44824%0.242SC..Hα-helixtrans-67.6-46.6175.7-52.20000111.4G16 K17 K22 K23 L174G16-T19 WeakPolarHBondContact O-CB 3.4Å; G16-T19 PolarHBondContact O-N 2.93Å; G16-T19 VanDerWaalsContact O-N 3.15Å; K17-T19 PolarHBondContact O-N 2.93Å; T19-K22 PolarHBondContact O-N 3.48Å; T19-K23 PolarHBondContact O-N 2.91Å; T19-K23 VanDerWaalsContact O-N 3.11Å; T19-L174 HydrophobicContact CG2-CD1 3.83Å; T19-L174 HydrophobicContact CG2-CD2 3.96Å
20L96.2Very high92.8Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-63.1-44.4176.4-69.9170.2000111.4G16 K17 K23 L24 I122 L174 A177 Y178 L181G16-L20 PolarHBondContact O-N 3.35Å; G16-L20 VanDerWaalsContact O-N 3.09Å; K17-L20 PolarHBondContact O-N 3.07Å; K17-L20 VanDerWaalsContact O-N 3.09Å; L20-K23 PolarHBondContact O-N 2.74Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.39Å; L20-I122 HydrophobicContact CD1-CD1 3.82Å; L20-I122 HydrophobicContact CD1-CG1 4.12Å; L20-I122 HydrophobicContact CD1-CG2 3.88Å; L20-L174 HydrophobicContact CD2-CD1 3.74Å; L20-L174 HydrophobicContact CG-CD1 4.29Å; L20-A177 HydrophobicContact CD2-CB 4.25Å; L20-Y178 HydrophobicContact CD2-CD2 4.18Å; L20-Y178 HydrophobicContact CD2-CG 4.49Å; L20-L181 HydrophobicContact CB-CD2 3.95Å
21L94.3Very high92.9Very high7 Ų750.6 Ų50.64%0.03727%0.265CS..Hα-helixtrans-62.9-45.4177.4-71.4-178.3000112L9 K17 K23 L24 L25 F34 V99 D101L9-L21 HydrophobicContact CD2-CD1 4.26Å; L9-L21 HydrophobicContact CD2-CD2 3.83Å; L9-L21 HydrophobicContact CD2-CG 3.82Å; K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CG 3.45Å; K17-L21 PolarHBondContact O-N 2.84Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 2.72Å; L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.28Å; L21-F34 HydrophobicContact CD1-CD2 4.48Å; L21-F34 HydrophobicContact CD1-CE2 3.84Å; L21-V99 HydrophobicContact CD1-CG1 4.23Å; L21-V99 HydrophobicContact CD2-CG1 3.56Å; L21-D101 HydrophobicContact CD1-CB 4.04Å
22K92.9Very high93Very high164 Ų16451 Ų5171%0.71327%0.265SS*.Hα-helixtrans-59.4-39.2176.4-174.4175.4-177.5175.80111.7S18 T19 K26S18-K22 VanDerWaalsContact O-CB 3.24Å; S18-K22 WeakPolarHBondContact O-CB 3.3Å; S18-K22 PolarHBondContact O-N 2.84Å; T19-K22 PolarHBondContact O-N 3.48Å; K22-K26 VanDerWaalsContact O-CB 3.28Å; K22-K26 WeakPolarHBondContact O-CB 2.86Å; K22-K26 PolarHBondContact O-N 3.09Å
23K95.6Very high93Very high74 Ų7451.3 Ų51.332%0.32227%0.269SS..Hα-helixtrans-66.9-45.1175.7-166.7168.6175.3161.50111.1T19 L20 L21 K26 E27 D175 Y178T19-K23 PolarHBondContact O-N 2.91Å; T19-K23 VanDerWaalsContact O-N 3.11Å; L20-K23 PolarHBondContact O-N 2.74Å; L21-K23 VanDerWaalsContact C-N 3.26Å; L21-K23 PolarHBondContact O-N 3.25Å; K23-K26 PolarHBondContact O-N 3.34Å; K23-E27 PolarHBondContact O-N 2.67Å; K23-D175 IonicContact NZ-OD1 2.72Å; K23-D175 PolarHBondContact NZ-OD1 3.37Å; K23-Y178 HydrophobicContact CB-CD2 4.12Å; K23-Y178 HydrophobicContact CB-CE2 3.84Å; K23-Y178 HydrophobicContact CD-CD1 3.75Å; K23-Y178 HydrophobicContact CD-CD2 4.05Å; K23-Y178 HydrophobicContact CD-CE1 3.89Å; K23-Y178 HydrophobicContact CD-CE2 4.21Å; K23-Y178 HydrophobicContact CD-CG 3.82Å; K23-Y178 VanDerWaalsContact CE-CD1 3.49Å; K23-Y178 HydrophobicContact CG-CD1 4.23Å; K23-Y178 HydrophobicContact CG-CD2 4.09Å; K23-Y178 HydrophobicContact CG-CE1 3.89Å; K23-Y178 HydrophobicContact CG-CE2 3.77Å; K23-Y178 HydrophobicContact CG-CG 4.3Å; K23-Y178 PolarHBondContact O-OH 3.36Å
24L95.8Very high93.4Very high2 Ų252.4 Ų52.41%0.0127%0.269CS..Hα-helixtrans-61.9-51.3178.8-17273.7000112.4L20 L21 K26 E27 Y28 F32 Y178 L181 K182 L185L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.39Å; L21-L24 PolarHBondContact O-N 2.72Å; L24-K26 PolarHBondContact O-N 2.67Å; L24-E27 PolarHBondContact O-N 3.24Å; L24-Y28 HydrophobicContact CD1-CD2 3.75Å; L24-Y28 HydrophobicContact CD1-CE2 4.04Å; L24-Y28 HydrophobicContact CG-CD2 4.47Å; L24-Y28 PolarHBondContact O-N 2.97Å; L24-F32 HydrophobicContact CD1-CE2 3.97Å; L24-F32 HydrophobicContact CD1-CZ 4.12Å; L24-F32 HydrophobicContact CD2-CD1 4.17Å; L24-F32 HydrophobicContact CD2-CD2 4.36Å; L24-F32 HydrophobicContact CD2-CE1 3.93Å; L24-F32 HydrophobicContact CD2-CE2 4.12Å; L24-F32 HydrophobicContact CD2-CG 4.38Å; L24-F32 HydrophobicContact CD2-CZ 3.9Å; L24-F32 HydrophobicContact CG-CD2 4.14Å; L24-F32 HydrophobicContact CG-CE2 3.9Å; L24-F32 HydrophobicContact CG-CZ 4.15Å; L24-Y178 HydrophobicContact CB-CE2 4.03Å; L24-Y178 HydrophobicContact CD1-CE2 4.25Å; L24-L181 HydrophobicContact CD2-CD2 4.46Å; L24-K182 HydrophobicContact CD1-CG 4.38Å; L24-L185 HydrophobicContact CD2-CD1 3.9Å
25L92.8Very high93.7Very high55 Ų5552.2 Ų52.229%0.28827%0.267SS..Hα-helixtrans-62.8-31.8-179.4-67.3176.4000112.1L21 E29 F32 F34L21-L25 WeakPolarHBondContact O-CB 3.39Å; L21-L25 VanDerWaalsContact O-CG 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 3.28Å; L25-E29 PolarHBondContact O-N 2.85Å; L25-F32 HydrophobicContact CD2-CB 3.56Å; L25-F34 HydrophobicContact CD1-CB 4.32Å
26K94.3Very high93.6Very high175 Ų17553.2 Ų53.276%0.76127%0.273SS*.Hα-helixtrans-75.8-42.6176.4-175.5-179.1178.6-175.80112.6K22 K23 L24K22-K26 VanDerWaalsContact O-CB 3.28Å; K22-K26 WeakPolarHBondContact O-CB 2.86Å; K22-K26 PolarHBondContact O-N 3.09Å; K23-K26 PolarHBondContact O-N 3.34Å; L24-K26 PolarHBondContact O-N 2.67Å
27E95.6Very high93.6Very high92 Ų9253.1 Ų53.143%0.4327%0.271SS..Hα-helixtrans-72.1-34.8-179.1-175.4171.6156.500112.2K23 L24 Y178 K182K23-E27 PolarHBondContact O-N 2.67Å; L24-E27 PolarHBondContact O-N 3.24Å; E27-Y178 WeakPolarHBondContact CB-OH 3.47Å; E27-Y178 VanDerWaalsContact CD-OH 3.28Å; E27-Y178 WeakPolarHBondContact OE2-CE1 3.08Å; E27-Y178 PolarHBondContact OE2-OH 3.26Å; E27-K182 IonicContact OE1-NZ 2.99Å; E27-K182 PolarHBondContact OE1-NZ 3.47Å; E27-K182 IonicContact OE2-NZ 2.84Å
28Y94.8Very high93.8Very high33 Ų3352.8 Ų52.813%0.12927%0.27CS..THydrogen-bonded Turntrans-115.349.2-177-65.1-77.8000111.7L24 G30 I31 F32 K182 I189L24-Y28 HydrophobicContact CD1-CD2 3.75Å; L24-Y28 HydrophobicContact CD1-CE2 4.04Å; L24-Y28 HydrophobicContact CG-CD2 4.47Å; L24-Y28 PolarHBondContact O-N 2.97Å; Y28-G30 PolarHBondContact O-N 3.46Å; Y28-I31 WeakPolarHBondContact O-CB 3.29Å; Y28-I31 PolarHBondContact O-N 3.14Å; Y28-F32 HydrophobicContact CD2-CE2 4.06Å; Y28-F32 HydrophobicContact CG-CD2 4.38Å; Y28-F32 AromaticContact CG-CE2 3.92Å; Y28-F32 HydrophobicContact CG-CE2 3.92Å; Y28-K182 HydrophobicContact CE2-CD 3.64Å; Y28-K182 HydrophobicContact CE2-CG 4.07Å; Y28-I189 HydrophobicContact CD1-CD1 4.36Å; Y28-I189 HydrophobicContact CD1-CG2 3.86Å; Y28-I189 HydrophobicContact CD2-CD1 4.32Å; Y28-I189 HydrophobicContact CE1-CD1 4.06Å; Y28-I189 HydrophobicContact CE1-CG2 3.68Å; Y28-I189 HydrophobicContact CE2-CD1 3.99Å; Y28-I189 HydrophobicContact CG-CD1 4.48Å
29E92.6Very high94Very high174 Ų17449.1 Ų49.181%0.81324%0.244SC*.THydrogen-bonded Turntrans-55.9131.8174.1-170.8172.3-172.900110.2L25 I31L25-E29 PolarHBondContact O-N 2.85Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.13Å
30G92.4Very high94.2Very high41 Ų4147 Ų4742%0.42323%0.231SC..THydrogen-bonded Turntrans77.68-176.300000115.6Y28 L96Y28-G30 PolarHBondContact O-N 3.46Å; G30-L96 VanDerWaalsContact C-CD2 3.43Å; G30-L96 WeakPolarHBondContact O-CD2 3.37Å
31I96.2Very high94Very high12 Ų1248.2 Ų48.26%0.06224%0.235CC..THydrogen-bonded Turntrans-109.9-37.8171.8-56.2-59.5000111.8Y28 E29 L96 I97 I189 V192 Q193Y28-I31 WeakPolarHBondContact O-CB 3.29Å; Y28-I31 PolarHBondContact O-N 3.14Å; E29-I31 VanDerWaalsContact C-N 3.31Å; E29-I31 PolarHBondContact O-N 3.13Å; I31-L96 WeakPolarHBondContact O-CA 3.26Å; I31-I97 HydrophobicContact CG2-CD1 3.99Å; I31-I97 PolarHBondContact O-N 2.65Å; I31-I189 HydrophobicContact CG2-CB 4.5Å; I31-I189 HydrophobicContact CG2-CG1 4.28Å; I31-I189 HydrophobicContact CG2-CG2 4.37Å; I31-V192 HydrophobicContact CD1-CB 4.39Å; I31-V192 HydrophobicContact CD1-CG1 3.88Å; I31-V192 HydrophobicContact CG2-CB 4.19Å; I31-V192 HydrophobicContact CG2-CG1 4.26Å; I31-Q193 HydrophobicContact CD1-CG 3.59Å; I31-Q193 HydrophobicContact CG1-CG 4.4Å
32F96.3Very high93.8Very high13 Ų1352.6 Ų52.66%0.05727%0.266CS..EExtended strand (participates in β ladder)trans-111.4147.3-178.9-66.1-87.5000111.1L24 L25 Y28 I97 V99 L185 I189L24-F32 HydrophobicContact CD1-CE2 3.97Å; L24-F32 HydrophobicContact CD1-CZ 4.12Å; L24-F32 HydrophobicContact CD2-CD1 4.17Å; L24-F32 HydrophobicContact CD2-CD2 4.36Å; L24-F32 HydrophobicContact CD2-CE1 3.93Å; L24-F32 HydrophobicContact CD2-CE2 4.12Å; L24-F32 HydrophobicContact CD2-CG 4.38Å; L24-F32 HydrophobicContact CD2-CZ 3.9Å; L24-F32 HydrophobicContact CG-CD2 4.14Å; L24-F32 HydrophobicContact CG-CE2 3.9Å; L24-F32 HydrophobicContact CG-CZ 4.15Å; L25-F32 HydrophobicContact CD2-CB 3.56Å; Y28-F32 HydrophobicContact CD2-CE2 4.06Å; Y28-F32 HydrophobicContact CG-CD2 4.38Å; Y28-F32 AromaticContact CG-CE2 3.92Å; Y28-F32 HydrophobicContact CG-CE2 3.92Å; F32-I97 WeakPolarHBondContact CA-O 3.48Å; F32-I97 HydrophobicContact CD1-CB 3.55Å; F32-I97 HydrophobicContact CD1-CD1 4.23Å; F32-I97 HydrophobicContact CD1-CG1 4.47Å; F32-I97 HydrophobicContact CD1-CG2 3.63Å; F32-I97 HydrophobicContact CE1-CB 3.8Å; F32-I97 HydrophobicContact CE1-CD1 3.7Å; F32-I97 HydrophobicContact CE1-CG1 4.35Å; F32-I97 HydrophobicContact CE1-CG2 3.61Å; F32-I97 HydrophobicContact CG-CB 4.35Å; F32-I97 HydrophobicContact CZ-CD1 3.95Å; F32-V99 HydrophobicContact CB-CG2 4.26Å; F32-V99 HydrophobicContact CD1-CG2 3.69Å; F32-V99 HydrophobicContact CG-CG2 4.38Å; F32-L185 HydrophobicContact CE1-CD1 4.02Å; F32-L185 HydrophobicContact CZ-CB 4.42Å; F32-L185 HydrophobicContact CZ-CD1 4.08Å; F32-I189 HydrophobicContact CE2-CD1 3.95Å; F32-I189 HydrophobicContact CE2-CG1 3.75Å; F32-I189 HydrophobicContact CZ-CD1 3.78Å; F32-I189 HydrophobicContact CZ-CG1 3.51Å
33G93.4Very high93.7Very high10 Ų1048.2 Ų48.210%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-128.213616700000110.3I97 C98 V99G33-I97 PolarHBondContact N-O 3.1Å; G33-C98 WeakPolarHBondContact O-CA 3.43Å; G33-V99 PolarHBondContact O-N 2.86Å
34F92.4Very high93.2Very high61 Ų6149.6 Ų49.627%0.26826%0.258SS..EExtended strand (participates in β ladder)trans-83.8127.6177.9-167.2-107.4000110.1L21 L25 V36 V99 D101L21-F34 HydrophobicContact CD1-CD2 4.48Å; L21-F34 HydrophobicContact CD1-CE2 3.84Å; L25-F34 HydrophobicContact CD1-CB 4.32Å; F34-V36 HydrophobicContact CD1-CG2 4.29Å; F34-V36 PolarHBondContact O-N 3.16Å; F34-V36 VanDerWaalsContact O-N 3.14Å; F34-V99 HydrophobicContact CD2-CB 4.17Å; F34-V99 HydrophobicContact CD2-CG1 4.01Å; F34-V99 HydrophobicContact CE2-CG1 4.26Å; F34-D101 HydrophobicContact CE2-CB 3.81Å; F34-D101 HydrophobicContact CZ-CB 3.78Å
35S92.5Very high92.6Very high0 Ų056.1 Ų56.10%030%0.3CS..  trans-76.397.9170.3172.40000108.6S37 T83 S87 V99S35-S37 PolarHBondContact O-N 3.19Å; S35-S37 VanDerWaalsContact O-N 3.08Å; S35-T83 VanDerWaalsContact OG-CG2 3.32Å; S35-T83 WeakPolarHBondContact OG-CG2 3.48Å; S35-S87 WeakPolarHBondContact OG-CB 3.26Å; S35-V99 WeakPolarHBondContact CB-O 3.49Å; S35-V99 PolarHBondContact N-O 2.94Å
36V90.9Very high92.3Very high21 Ų2157 Ų5713%0.12732%0.323CS..  trans-64.7111.6177.7-174.40000109F34 H54 S87F34-V36 HydrophobicContact CD1-CG2 4.29Å; F34-V36 PolarHBondContact O-N 3.16Å; F34-V36 VanDerWaalsContact O-N 3.14Å; V36-H54 PolarHBondContact O-CD2 2.96Å; V36-S87 WeakPolarHBondContact O-CB 3.45Å; V36-S87 PolarHBondContact O-OG 2.79Å
37S92.1Very high91.9Very high7 Ų750.9 Ų50.95%0.04930%0.297CS..  trans-75.1159.1179.8-61.20000111.7S35 Y53 H54 G82S35-S37 PolarHBondContact O-N 3.19Å; S35-S37 VanDerWaalsContact O-N 3.08Å; S37-Y53 CarbonylContact O-C 3.56Å; S37-Y53 VanDerWaalsContact O-CA 3.23Å; S37-Y53 WeakPolarHBondContact O-CA 3.41Å; S37-Y53 WeakPolarHBondContact O-CB 3.46Å; S37-Y53 WeakPolarHBondContact O-CD1 3.21Å; S37-H54 PolarHBondContact O-N 2.62Å; S37-G82 WeakPolarHBondContact CA-O 3.47Å; S37-G82 WeakPolarHBondContact CB-O 3.24Å
38H95.9Very high91.8Very high17 Ų1751.5 Ų51.58%0.07930%0.3CS..EExtended strand (participates in β ladder)trans-89.5150.5169.6-67.158.2000110.4H54 V56 M61 F70 Y81 G82H38-H54 CarbonylContact C-O 3.59Å; H38-H54 VanDerWaalsContact CA-O 3.26Å; H38-H54 WeakPolarHBondContact CA-O 3.45Å; H38-H54 HydrophobicContact CB-CB 4.36Å; H38-H54 VanDerWaalsContact CD2-CB 3.45Å; H38-H54 WeakPolarHBondContact CD2-CB 3.26Å; H38-H54 AromaticContact CE1-CD2 3.52Å; H38-H54 AromaticContact CE1-CG 3.73Å; H38-H54 AromaticContact ND1-CD2 3.83Å; H38-H54 AromaticContact NE2-CG 3.79Å; H38-V56 HydrophobicContact CB-CG2 4.24Å; H38-M61 HydrophobicContact CB-CE 4.12Å; H38-F70 HydrophobicContact CB-CE1 3.85Å; H38-F70 HydrophobicContact CB-CZ 3.87Å; H38-F70 AromaticContact CG-CE1 3.92Å; H38-F70 AromaticContact CG-CZ 3.79Å; H38-Y81 WeakPolarHBondContact O-CA 3.44Å; H38-G82 PolarHBondContact N-O 3.14Å; H38-G82 PolarHBondContact O-N 3.16Å; H38-G82 VanDerWaalsContact O-N 3.12Å
39T95.1Very high91.8Very high0 Ų055 Ų550%032%0.321CS..EExtended strand (participates in β ladder)trans-148.9150.8170.5-170.30000112.9R41 Y53 H54 Y55 V56 M80 Y81T39-R41 HydrophobicContact CG2-CG 3.66Å; T39-R41 PolarHBondContact OG1-N 3.3Å; T39-Y53 HydrophobicContact CG2-CD1 3.79Å; T39-Y53 HydrophobicContact CG2-CD2 4.35Å; T39-Y53 HydrophobicContact CG2-CG 3.66Å; T39-H54 PolarHBondContact N-O 3.16Å; T39-Y55 HydrophobicContact CG2-CD1 3.56Å; T39-Y55 HydrophobicContact CG2-CE1 3.67Å; T39-V56 PolarHBondContact O-N 2.91Å; T39-M80 WeakPolarHBondContact CA-O 3.48Å; T39-M80 PolarHBondContact OG1-O 3.29Å; T39-Y81 VanDerWaalsContact OG1-CD1 3.29Å; T39-Y81 WeakPolarHBondContact OG1-CD1 3.31Å; T39-Y81 WeakPolarHBondContact OG1-CE1 3.49Å
40T96.2Very high91.6Very high28 Ų2848.5 Ų48.517%0.17230%0.301CS..SBendtrans-91.4-4.1173.166.10000114V56 R58 M61 M80T40-V56 WeakPolarHBondContact CA-O 3.42Å; T40-R58 HydrophobicContact CG2-CB 4.13Å; T40-R58 HydrophobicContact CG2-CG 4.39Å; T40-M61 HydrophobicContact CG2-CB 4.05Å; T40-M61 HydrophobicContact CG2-CG 4.49Å; T40-M61 HydrophobicContact CG2-SD 3.72Å; T40-M80 HydrophobicContact CG2-CB 3.8Å; T40-M80 HydrophobicContact CG2-CG 4.34Å; T40-M80 HydrophobicContact CG2-SD 4.43Å; T40-M80 PolarHBondContact N-O 3.23Å; T40-M80 PolarHBondContact OG1-N 3.39Å
41R92.3Very high91.4Very high26 Ų2652.1 Ų52.110%0.09831%0.305CS..SBendtrans-71.3158.9174.874.8167.3174.792.5-2.6110.2T39 E47 Y53 Y55 N79T39-R41 HydrophobicContact CG2-CG 3.66Å; T39-R41 PolarHBondContact OG1-N 3.3Å; R41-E47 IonicContact CZ-OE1 3.17Å; R41-E47 IonicContact CZ-OE2 2.98Å; R41-E47 IonicContact NH1-OE1 2.66Å; R41-E47 IonicContact NH1-OE2 2.74Å; R41-E47 PolarHBondContact NH1-OE2 3.5Å; R41-E47 IonicContact NH2-OE1 2.81Å; R41-E47 PolarHBondContact NH2-OE1 2.79Å; R41-E47 IonicContact NH2-OE2 3.69Å; R41-E47 PolarHBondContact NH2-OE2 2.8Å; R41-Y53 VanDerWaalsContact NH2-CE2 3.33Å; R41-Y55 HydrophobicContact CG-CE1 4.46Å; R41-Y55 PolarHBondContact NH2-OH 2.77Å; R41-Y55 VanDerWaalsContact O-CD1 3.3Å; R41-Y55 WeakPolarHBondContact O-CD1 3.37Å; R41-N79 WeakPolarHBondContact CA-OD1 3.11Å; R41-N79 HydrophobicContact CB-CB 4.03Å
42S89.9Confident90.9Very high99 Ų9954.2 Ų54.269%0.69232%0.316SS*.PPolyproline II helixtrans-69.5147.6167-54.60000111.7
43P90.2Very high90.7Very high72 Ų7256.3 Ų56.347%0.46832%0.324SS..PPolyproline II helixtrans-57.3144.5169.2-16.825.9000111.8Y55P43-Y55 HydrophobicContact CB-CD1 4.36Å; P43-Y55 HydrophobicContact CB-CD2 4.32Å; P43-Y55 HydrophobicContact CB-CE1 3.98Å; P43-Y55 HydrophobicContact CB-CE2 3.93Å; P43-Y55 HydrophobicContact CG-CD1 3.79Å; P43-Y55 HydrophobicContact CG-CD2 3.72Å; P43-Y55 HydrophobicContact CG-CE1 3.93Å; P43-Y55 HydrophobicContact CG-CE2 3.86Å; P43-Y55 HydrophobicContact CG-CG 3.68Å
44R84.9Confident90.8Very high103 Ų10358.4 Ų58.439%0.38933%0.331SS..PPolyproline II helixtrans-86.2160.3169.2-68.6163.6173.1-166.2-10.8109.6G46 E47 E140R44-G46 PolarHBondContact O-N 2.7Å; R44-E47 HydrophobicContact CB-CG 4.2Å; R44-E47 VanDerWaalsContact CB-OE2 3.31Å; R44-E47 WeakPolarHBondContact CB-OE2 3.07Å; R44-E47 PolarHBondContact N-OE2 2.76Å; R44-E47 PolarHBondContact O-N 3.32Å; R44-E140 IonicContact NH2-OE1 3.51Å; R44-E140 PolarHBondContact NH2-OE1 2.77Å
45P84.6Confident91Very high139 Ų13957.3 Ų57.390%0.90333%0.325SS*.THydrogen-bonded Turntrans-53.5124.1174.5-26.235.1000111.7
46G86.3Confident91.2Very high74 Ų7458.9 Ų58.976%0.76334%0.335SS*.THydrogen-bonded Turntrans90.8-5.2-179.700000115.8R44R44-G46 PolarHBondContact O-N 2.7Å
47E86.3Confident91.5Very high47 Ų4761.7 Ų61.722%0.2235%0.352CS..  trans-86.5143.1172.4-65.9178.714700111.7R41 R44 D52 Y55R41-E47 IonicContact CZ-OE1 3.17Å; R41-E47 IonicContact CZ-OE2 2.98Å; R41-E47 IonicContact NH1-OE1 2.66Å; R41-E47 IonicContact NH1-OE2 2.74Å; R41-E47 PolarHBondContact NH1-OE2 3.5Å; R41-E47 IonicContact NH2-OE1 2.81Å; R41-E47 PolarHBondContact NH2-OE1 2.79Å; R41-E47 IonicContact NH2-OE2 3.69Å; R41-E47 PolarHBondContact NH2-OE2 2.8Å; R44-E47 HydrophobicContact CB-CG 4.2Å; R44-E47 VanDerWaalsContact CB-OE2 3.31Å; R44-E47 WeakPolarHBondContact CB-OE2 3.07Å; R44-E47 PolarHBondContact N-OE2 2.76Å; R44-E47 PolarHBondContact O-N 3.32Å; E47-D52 WeakPolarHBondContact CA-OD2 3.23Å; E47-D52 HydrophobicContact CB-CB 4.04Å; E47-D52 HydrophobicContact CG-CB 4.19Å; E47-Y55 VanDerWaalsContact CB-OH 3.31Å; E47-Y55 WeakPolarHBondContact CB-OH 3.48Å; E47-Y55 VanDerWaalsContact CD-OH 3.32Å; E47-Y55 PolarHBondContact OE2-OH 2.76Å
48E92.1Very high91.7Very high104 Ų10468 Ų6849%0.48638%0.375SS..  trans-116.8135.9-175.8-68165.7-141.700110.9K51 D52E48-K51 HydrophobicContact CB-CB 4.05Å; E48-K51 HydrophobicContact CB-CD 4.02Å; E48-K51 HydrophobicContact CG-CD 4.44Å; E48-K51 PolarHBondContact O-N 3.28Å; E48-K51 IonicContact OE1-NZ 3.24Å; E48-K51 PolarHBondContact OE1-NZ 3.31Å; E48-K51 WeakPolarHBondContact OE2-CD 3.44Å; E48-K51 IonicContact OE2-NZ 2.91Å; E48-K51 PolarHBondContact OE2-NZ 3.42Å; E48-D52 PolarHBondContact N-OD2 3.35Å; E48-D52 PolarHBondContact O-N 2.99Å
49N94.8Very high91.8Very high108 Ų10873.7 Ų73.758%0.57840%0.402SS*.BIsolated β-bridgetrans-66.4132.6175.6-175.658.5000111.2K51 Y53 H54 Y55N49-K51 VanDerWaalsContact C-N 3.27Å; N49-Y53 CarbonylContact C-O 3.48Å; N49-Y53 WeakPolarHBondContact CA-O 3.17Å; N49-Y53 PolarHBondContact OD1-O 3.04Å; N49-H54 WeakPolarHBondContact OD1-CA 3.47Å; N49-Y55 HydrophobicContact CB-CD2 3.93Å; N49-Y55 PolarHBondContact OD1-N 3.39Å
50G89.9Confident91.9Very high37 Ų3779.1 Ų79.138%0.38142%0.423SS..THydrogen-bonded Turntrans80.93.8-176.400000114.5Y53G50-Y53 PolarHBondContact N-O 3.41Å
51K87Confident91.9Very high116 Ų11677.8 Ų77.850%0.50442%0.415SS..THydrogen-bonded Turntrans-122.3-57.1176.2-177.4-173.1-173.9178.70111.5E48 N49E48-K51 HydrophobicContact CB-CB 4.05Å; E48-K51 HydrophobicContact CB-CD 4.02Å; E48-K51 HydrophobicContact CG-CD 4.44Å; E48-K51 PolarHBondContact O-N 3.28Å; E48-K51 IonicContact OE1-NZ 3.24Å; E48-K51 PolarHBondContact OE1-NZ 3.31Å; E48-K51 WeakPolarHBondContact OE2-CD 3.44Å; E48-K51 IonicContact OE2-NZ 2.91Å; E48-K51 PolarHBondContact OE2-NZ 3.42Å; N49-K51 VanDerWaalsContact C-N 3.27Å
52D85.7Confident92.2Very high56 Ų5680.4 Ų80.430%0.29943%0.428SS..THydrogen-bonded Turntrans-83.4-48.4177.1-61.8-87.2000110.3E47 E48E47-D52 WeakPolarHBondContact CA-OD2 3.23Å; E47-D52 HydrophobicContact CB-CB 4.04Å; E47-D52 HydrophobicContact CG-CB 4.19Å; E48-D52 PolarHBondContact N-OD2 3.35Å; E48-D52 PolarHBondContact O-N 2.99Å
53Y91.9Very high92.5Very high57 Ų5777.7 Ų77.722%0.22441%0.412CS..BIsolated β-bridgetrans-150.4161.6172.8-69.6-90.8000110.2S37 T39 R41 N49 G50 Y55 Y81S37-Y53 CarbonylContact O-C 3.56Å; S37-Y53 VanDerWaalsContact O-CA 3.23Å; S37-Y53 WeakPolarHBondContact O-CA 3.41Å; S37-Y53 WeakPolarHBondContact O-CB 3.46Å; S37-Y53 WeakPolarHBondContact O-CD1 3.21Å; T39-Y53 HydrophobicContact CG2-CD1 3.79Å; T39-Y53 HydrophobicContact CG2-CD2 4.35Å; T39-Y53 HydrophobicContact CG2-CG 3.66Å; R41-Y53 VanDerWaalsContact NH2-CE2 3.33Å; N49-Y53 CarbonylContact C-O 3.48Å; N49-Y53 WeakPolarHBondContact CA-O 3.17Å; N49-Y53 PolarHBondContact OD1-O 3.04Å; G50-Y53 PolarHBondContact N-O 3.41Å; Y53-Y55 HydrophobicContact CD2-CE1 4.39Å; Y53-Y55 HydrophobicContact CG-CE1 4.45Å; Y53-Y81 AromaticContact CE1-CD1 3.95Å; Y53-Y81 HydrophobicContact CE1-CD1 3.95Å; Y53-Y81 HydrophobicContact CE1-CE1 4.2Å
54H95.3Very high92.9Very high55 Ų5574.4 Ų74.426%0.25539%0.391SS..EExtended strand (participates in β ladder)trans-84.5106.3155.5-64.1-78.4000108.8V36 S37 H38 T39 N49 V56V36-H54 PolarHBondContact O-CD2 2.96Å; S37-H54 PolarHBondContact O-N 2.62Å; H38-H54 CarbonylContact C-O 3.59Å; H38-H54 VanDerWaalsContact CA-O 3.26Å; H38-H54 WeakPolarHBondContact CA-O 3.45Å; H38-H54 HydrophobicContact CB-CB 4.36Å; H38-H54 VanDerWaalsContact CD2-CB 3.45Å; H38-H54 WeakPolarHBondContact CD2-CB 3.26Å; H38-H54 AromaticContact CE1-CD2 3.52Å; H38-H54 AromaticContact CE1-CG 3.73Å; H38-H54 AromaticContact ND1-CD2 3.83Å; H38-H54 AromaticContact NE2-CG 3.79Å; T39-H54 PolarHBondContact N-O 3.16Å; N49-H54 WeakPolarHBondContact OD1-CA 3.47Å; H54-V56 PolarHBondContact O-N 3.15Å
55Y96.5Very high93.4Very high37 Ų3771.4 Ų71.415%0.14538%0.382CS..EExtended strand (participates in β ladder)trans-82.9113.7179.8-61.3-78.7000109.5T39 R41 P43 E47 N49 Y53T39-Y55 HydrophobicContact CG2-CD1 3.56Å; T39-Y55 HydrophobicContact CG2-CE1 3.67Å; R41-Y55 HydrophobicContact CG-CE1 4.46Å; R41-Y55 PolarHBondContact NH2-OH 2.77Å; R41-Y55 VanDerWaalsContact O-CD1 3.3Å; R41-Y55 WeakPolarHBondContact O-CD1 3.37Å; P43-Y55 HydrophobicContact CB-CD1 4.36Å; P43-Y55 HydrophobicContact CB-CD2 4.32Å; P43-Y55 HydrophobicContact CB-CE1 3.98Å; P43-Y55 HydrophobicContact CB-CE2 3.93Å; P43-Y55 HydrophobicContact CG-CD1 3.79Å; P43-Y55 HydrophobicContact CG-CD2 3.72Å; P43-Y55 HydrophobicContact CG-CE1 3.93Å; P43-Y55 HydrophobicContact CG-CE2 3.86Å; P43-Y55 HydrophobicContact CG-CG 3.68Å; E47-Y55 VanDerWaalsContact CB-OH 3.31Å; E47-Y55 WeakPolarHBondContact CB-OH 3.48Å; E47-Y55 VanDerWaalsContact CD-OH 3.32Å; E47-Y55 PolarHBondContact OE2-OH 2.76Å; N49-Y55 HydrophobicContact CB-CD2 3.93Å; N49-Y55 PolarHBondContact OD1-N 3.39Å; Y53-Y55 HydrophobicContact CD2-CE1 4.39Å; Y53-Y55 HydrophobicContact CG-CE1 4.45Å
56V97.5Very high93.9Very high33 Ų3370.5 Ų70.520%0.237%0.369CS..  trans-131.6162.6-173.1-64.40000111.2H38 T39 T40 H54 Y60 M61H38-V56 HydrophobicContact CB-CG2 4.24Å; T39-V56 PolarHBondContact O-N 2.91Å; T40-V56 WeakPolarHBondContact CA-O 3.42Å; H54-V56 PolarHBondContact O-N 3.15Å; V56-Y60 HydrophobicContact CB-CD1 3.6Å; V56-Y60 HydrophobicContact CB-CE1 4.22Å; V56-Y60 HydrophobicContact CB-CG 4.28Å; V56-Y60 HydrophobicContact CG1-CD1 3.74Å; V56-Y60 HydrophobicContact CG1-CE1 3.85Å; V56-Y60 HydrophobicContact CG2-CD1 3.88Å; V56-Y60 HydrophobicContact CG2-CE1 4.46Å; V56-M61 HydrophobicContact CG2-CB 4.16Å; V56-M61 HydrophobicContact CG2-SD 4.31Å
57T97.6Very high94.4Very high81 Ų8174 Ų7450%0.49736%0.364SS..  trans-74.7161.4174.378.30000111.1E59 Y60 M61T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 VanDerWaalsContact CB-OE2 3.24Å; T57-E59 WeakPolarHBondContact CB-OE2 3.41Å; T57-E59 PolarHBondContact O-N 3.3Å; T57-E59 PolarHBondContact OG1-OE2 2.84Å; T57-E59 VanDerWaalsContact OG1-OE2 3.07Å; T57-Y60 PolarHBondContact O-N 3.01Å; T57-Y60 PolarHBondContact OG1-N 3.11Å; T57-M61 PolarHBondContact O-N 3.19Å
58R96.6Very high94.8Very high139 Ų13973.7 Ų73.753%0.52537%0.372SS..Hα-helixtrans-64.7-37.3177.6-166.4173.1-173.3174.9-1.4111.8T40 M61 Q62 M80T40-R58 HydrophobicContact CG2-CB 4.13Å; T40-R58 HydrophobicContact CG2-CG 4.39Å; R58-M61 PolarHBondContact O-N 2.78Å; R58-Q62 WeakPolarHBondContact O-CB 3.42Å; R58-Q62 PolarHBondContact O-N 3.35Å; R58-M80 HydrophobicContact CG-SD 3.61Å
59E97.7Very high95Very high136 Ų13672.4 Ų72.464%0.63637%0.366SS*.Hα-helixtrans-65.2-44.2179.1-58.469.2-146.500110.8T57 A63T57-E59 VanDerWaalsContact C-N 3.29Å; T57-E59 VanDerWaalsContact CB-OE2 3.24Å; T57-E59 WeakPolarHBondContact CB-OE2 3.41Å; T57-E59 PolarHBondContact O-N 3.3Å; T57-E59 PolarHBondContact OG1-OE2 2.84Å; T57-E59 VanDerWaalsContact OG1-OE2 3.07Å; E59-A63 WeakPolarHBondContact O-CB 3.38Å; E59-A63 PolarHBondContact O-N 3.02Å
60Y96.9Very high95.1Very high114 Ų11468.1 Ų68.145%0.44734%0.343SS..Hα-helixtrans-60-49.9173.7175.5-88.3000110.7V56 T57 Q62 A63 S64V56-Y60 HydrophobicContact CB-CD1 3.6Å; V56-Y60 HydrophobicContact CB-CE1 4.22Å; V56-Y60 HydrophobicContact CB-CG 4.28Å; V56-Y60 HydrophobicContact CG1-CD1 3.74Å; V56-Y60 HydrophobicContact CG1-CE1 3.85Å; V56-Y60 HydrophobicContact CG2-CD1 3.88Å; V56-Y60 HydrophobicContact CG2-CE1 4.46Å; T57-Y60 PolarHBondContact O-N 3.01Å; T57-Y60 PolarHBondContact OG1-N 3.11Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.33Å; Y60-A63 PolarHBondContact O-N 3.12Å; Y60-S64 PolarHBondContact O-N 3.26Å
61M96.7Very high95.3Very high0 Ų067.5 Ų67.50%033%0.33CS..Hα-helixtrans-61.8-43.5-176.5-167155.3-169.600111.9H38 T40 V56 T57 R58 S64 I65 F70 M80 Y81 G82H38-M61 HydrophobicContact CB-CE 4.12Å; T40-M61 HydrophobicContact CG2-CB 4.05Å; T40-M61 HydrophobicContact CG2-CG 4.49Å; T40-M61 HydrophobicContact CG2-SD 3.72Å; V56-M61 HydrophobicContact CG2-CB 4.16Å; V56-M61 HydrophobicContact CG2-SD 4.31Å; T57-M61 PolarHBondContact O-N 3.19Å; R58-M61 PolarHBondContact O-N 2.78Å; M61-S64 PolarHBondContact O-N 3.22Å; M61-I65 HydrophobicContact CG-CD1 4.03Å; M61-I65 WeakPolarHBondContact O-CD1 3.42Å; M61-I65 VanDerWaalsContact O-CG1 3.23Å; M61-I65 WeakPolarHBondContact O-CG1 3.21Å; M61-I65 PolarHBondContact O-N 2.97Å; M61-F70 HydrophobicContact CE-CE1 4.04Å; M61-F70 HydrophobicContact CE-CZ 4.15Å; M61-F70 HydrophobicContact CG-CE2 4.47Å; M61-F70 HydrophobicContact CG-CZ 4.34Å; M61-M80 HydrophobicContact CE-CB 4.08Å; M61-M80 HydrophobicContact CG-CB 4.32Å; M61-M80 HydrophobicContact CG-CE 4.18Å; M61-M80 HydrophobicContact SD-CB 3.48Å; M61-M80 WeakPolarHBondContact SD-CB 3.35Å; M61-Y81 WeakPolarHBondContact CE-O 3.37Å; M61-G82 VanDerWaalsContact CE-N 3.28Å
62Q96.9Very high95.6Very high81 Ų8162.5 Ų62.538%0.37931%0.309SS..Hα-helixtrans-63.1-47.3176.6-170.362.158.100111.7R58 Y60 S64 I65 D66R58-Q62 WeakPolarHBondContact O-CB 3.42Å; R58-Q62 PolarHBondContact O-N 3.35Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.33Å; Q62-S64 VanDerWaalsContact C-N 3.28Å; Q62-S64 PolarHBondContact O-N 3.3Å; Q62-I65 PolarHBondContact O-N 3.22Å; Q62-I65 VanDerWaalsContact O-N 3.16Å; Q62-D66 PolarHBondContact NE2-OD1 3.17Å; Q62-D66 PolarHBondContact O-N 3.2Å
63A97.7Very high96Very high42 Ų4262.1 Ų62.135%0.34731%0.311SS..Hα-helixtrans-60.6-37.4179.200000112.7E59 Y60 K67E59-A63 WeakPolarHBondContact O-CB 3.38Å; E59-A63 PolarHBondContact O-N 3.02Å; Y60-A63 PolarHBondContact O-N 3.12Å; A63-K67 VanDerWaalsContact O-CG 3.27Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 3.23Å
64S97Very high95.8Very high4 Ų459.9 Ų59.93%0.02830%0.304CS..Hα-helixtrans-73.3-34.8176.1-78.30000113.1Y60 M61 Q62 K67 G68 E69Y60-S64 PolarHBondContact O-N 3.26Å; M61-S64 PolarHBondContact O-N 3.22Å; Q62-S64 VanDerWaalsContact C-N 3.28Å; Q62-S64 PolarHBondContact O-N 3.3Å; S64-K67 PolarHBondContact O-N 3.36Å; S64-G68 PolarHBondContact O-N 3.25Å; S64-E69 WeakPolarHBondContact CB-OE2 3.3Å; S64-E69 WeakPolarHBondContact O-CB 3.5Å; S64-E69 PolarHBondContact O-N 3.27Å; S64-E69 PolarHBondContact OG-OE2 2.84Å
65I95.5Very high95.5Very high39 Ų3960.9 Ų60.920%0.231%0.314CS..Hα-helixtrans-61.8-46.6171.2-72162.9000110.1M61 Q62 K67 G68 F70 M80M61-I65 HydrophobicContact CG-CD1 4.03Å; M61-I65 WeakPolarHBondContact O-CD1 3.42Å; M61-I65 VanDerWaalsContact O-CG1 3.23Å; M61-I65 WeakPolarHBondContact O-CG1 3.21Å; M61-I65 PolarHBondContact O-N 2.97Å; Q62-I65 PolarHBondContact O-N 3.22Å; Q62-I65 VanDerWaalsContact O-N 3.16Å; I65-K67 PolarHBondContact O-N 2.83Å; I65-G68 PolarHBondContact O-N 3.44Å; I65-F70 HydrophobicContact CG1-CB 4.32Å; I65-F70 HydrophobicContact CG1-CD2 3.64Å; I65-F70 HydrophobicContact CG1-CE2 4.22Å; I65-F70 HydrophobicContact CG1-CG 4.08Å; I65-M80 HydrophobicContact CD1-CE 3.41Å; I65-M80 VanDerWaalsContact CD1-CE 3.41Å
66D96.4Very high94.7Very high120 Ų12061.6 Ų61.664%0.64232%0.318SS*.Hα-helixtrans-63.2-26.3-179.3-62-16.7000112.3Q62 G68Q62-D66 PolarHBondContact NE2-OD1 3.17Å; Q62-D66 PolarHBondContact O-N 3.2Å; D66-G68 VanDerWaalsContact C-N 3.33Å
67K96.9Very high93.7Very high149 Ų14962.8 Ų62.865%0.64833%0.327SS*.THydrogen-bonded Turntrans-82.1-4.3173.1-70.5171.5-174.5176.70114.3A63 S64 I65 E69A63-K67 VanDerWaalsContact O-CG 3.27Å; A63-K67 WeakPolarHBondContact O-CG 3.32Å; A63-K67 PolarHBondContact O-N 3.23Å; S64-K67 PolarHBondContact O-N 3.36Å; I65-K67 PolarHBondContact O-N 2.83Å; K67-E69 VanDerWaalsContact C-N 3.32Å; K67-E69 HydrophobicContact CB-CG 3.92Å; K67-E69 WeakPolarHBondContact CD-OE1 3.44Å
68G95Very high93.1Very high39 Ų3961.6 Ų61.640%0.40233%0.331SS..THydrogen-bonded Turntrans73.420.6-177.700000114.4S64 I65 D66 F70 R85S64-G68 PolarHBondContact O-N 3.25Å; I65-G68 PolarHBondContact O-N 3.44Å; D66-G68 VanDerWaalsContact C-N 3.33Å; G68-F70 PolarHBondContact O-N 2.95Å; G68-R85 WeakPolarHBondContact O-CD 3.47Å; G68-R85 PolarHBondContact O-NE 2.82Å
69E96.4Very high92.7Very high77 Ų7757.2 Ų57.236%0.3632%0.318SS..  trans-75.1-13.9-178.8-63.9174.1177.800112.6S64 K67 R85S64-E69 WeakPolarHBondContact CB-OE2 3.3Å; S64-E69 WeakPolarHBondContact O-CB 3.5Å; S64-E69 PolarHBondContact O-N 3.27Å; S64-E69 PolarHBondContact OG-OE2 2.84Å; K67-E69 VanDerWaalsContact C-N 3.32Å; K67-E69 HydrophobicContact CB-CG 3.92Å; K67-E69 WeakPolarHBondContact CD-OE1 3.44Å; E69-R85 WeakPolarHBondContact O-CG 3.43Å; E69-R85 PolarHBondContact O-N 2.78Å
70F95.4Very high92.6Very high19 Ų1951.2 Ų51.28%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-100.4138.5178.2-76.3-89.2000112.2H38 M61 I65 G68 G82H38-F70 HydrophobicContact CB-CE1 3.85Å; H38-F70 HydrophobicContact CB-CZ 3.87Å; H38-F70 AromaticContact CG-CE1 3.92Å; H38-F70 AromaticContact CG-CZ 3.79Å; M61-F70 HydrophobicContact CE-CE1 4.04Å; M61-F70 HydrophobicContact CE-CZ 4.15Å; M61-F70 HydrophobicContact CG-CE2 4.47Å; M61-F70 HydrophobicContact CG-CZ 4.34Å; I65-F70 HydrophobicContact CG1-CB 4.32Å; I65-F70 HydrophobicContact CG1-CD2 3.64Å; I65-F70 HydrophobicContact CG1-CE2 4.22Å; I65-F70 HydrophobicContact CG1-CG 4.08Å; G68-F70 PolarHBondContact O-N 2.95Å; F70-G82 WeakPolarHBondContact CE1-O 3.47Å
71I93.6Very high92.4Very high23 Ų2348 Ų4812%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-75.4-43.1170.7-65174.6000109.3T83 R85 V88 V110 T113I71-T83 PolarHBondContact N-O 2.83Å; I71-R85 HydrophobicContact CD1-CG 4.41Å; I71-R85 HydrophobicContact CG1-CB 4.42Å; I71-R85 HydrophobicContact CG1-CG 3.63Å; I71-V88 HydrophobicContact CD1-CB 3.85Å; I71-V88 HydrophobicContact CD1-CG1 4.26Å; I71-V88 HydrophobicContact CD1-CG2 3.53Å; I71-V110 HydrophobicContact CG2-CG2 4.17Å; I71-T113 HydrophobicContact CG2-CG2 3.98Å
72E93.5Very high92.2Very high11 Ų1148 Ų485%0.05128%0.278CS..EExtended strand (participates in β ladder)trans-145.2154.4175.562.276.5-144.200109.6G82 T83 G106 A109 V110E72-G82 WeakPolarHBondContact O-CA 3.47Å; E72-G82 WeakPolarHBondContact OE1-CA 3.28Å; E72-T83 PolarHBondContact O-N 3.43Å; E72-T83 VanDerWaalsContact O-N 3.15Å; E72-T83 WeakPolarHBondContact OE1-CB 3.43Å; E72-T83 PolarHBondContact OE1-N 2.96Å; E72-T83 PolarHBondContact OE1-OG1 3.46Å; E72-G106 WeakPolarHBondContact OE2-CA 3.37Å; E72-A109 HydrophobicContact CB-CB 3.52Å; E72-V110 HydrophobicContact CB-CG2 4.23Å; E72-V110 HydrophobicContact CG-CG2 3.9Å
73S93.9Very high92.2Very high49 Ų4944.1 Ų44.134%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-147.6148.5167.364.90000109.9Y81S73-Y81 CarbonylContact C-O 3.5Å; S73-Y81 WeakPolarHBondContact CA-O 3.42Å; S73-Y81 WeakPolarHBondContact CB-O 3.27Å
74A89.4Confident92Very high9 Ų942.6 Ų42.67%0.07425%0.246CC..EExtended strand (participates in β ladder)trans-142.4151.8-179.900000110.7M80 Y81 Q105A74-M80 CarbonylContact O-C 3.59Å; A74-M80 WeakPolarHBondContact O-CA 3.34Å; A74-Y81 PolarHBondContact N-O 3.35Å; A74-Y81 PolarHBondContact O-N 3.13Å; A74-Q105 HydrophobicContact CB-CB 3.92Å
75V88.2Confident91.9Very high77 Ų7748.8 Ų48.847%0.46727%0.269SS..EExtended strand (participates in β ladder)trans-101.2123.5168.3-179.10000108.2N79 M80 Q105V75-N79 CarbonylContact C-O 3.55Å; V75-N79 WeakPolarHBondContact CA-O 3.47Å; V75-M80 HydrophobicContact CG2-CG 4.11Å; V75-Q105 PolarHBondContact O-NE2 3.43Å
76F79.4Confident91.8Very high51 Ų5149.7 Ų49.722%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-132.3124.6176.8-177-94.1000110.3G78 N79 Y81 R148F76-G78 PolarHBondContact O-N 2.93Å; F76-G78 VanDerWaalsContact O-N 3.16Å; F76-N79 PolarHBondContact N-O 3.34Å; F76-N79 PolarHBondContact O-N 3.12Å; F76-Y81 HydrophobicContact CB-CD2 3.95Å; F76-Y81 HydrophobicContact CB-CE2 3.83Å; F76-Y81 HydrophobicContact CD1-CE2 4.44Å; F76-R148 HydrophobicContact CZ-CG 4.16Å
77S77.4Confident91.7Very high58 Ų5844.4 Ų44.441%0.40626%0.255SS..THydrogen-bonded Turntrans49.341.2-179.5-57.50000113.5N79S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 2.99Å; S77-N79 PolarHBondContact O-ND2 2.76Å
78G83.8Confident91.5Very high56 Ų5637.4 Ų37.458%0.57723%0.225SC*.THydrogen-bonded Turntrans80.9-5.3178.500000115.8F76F76-G78 PolarHBondContact O-N 2.93Å; F76-G78 VanDerWaalsContact O-N 3.16Å
79N89.7Confident91.4Very high47 Ų4739.8 Ų39.825%0.25123%0.226SC..EExtended strand (participates in β ladder)trans-105.3148.2176.2-63.2-69.8000110.9R41 V75 F76 S77 Y81R41-N79 WeakPolarHBondContact CA-OD1 3.11Å; R41-N79 HydrophobicContact CB-CB 4.03Å; V75-N79 CarbonylContact C-O 3.55Å; V75-N79 WeakPolarHBondContact CA-O 3.47Å; F76-N79 PolarHBondContact N-O 3.34Å; F76-N79 PolarHBondContact O-N 3.12Å; S77-N79 VanDerWaalsContact C-N 3.28Å; S77-N79 PolarHBondContact O-N 2.99Å; S77-N79 PolarHBondContact O-ND2 2.76Å; N79-Y81 HydrophobicContact CB-CE2 3.72Å
80M94Very high91.2Very high10 Ų1040.4 Ų40.45%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-88.4144.3172.5-59.7173.17300109.5T39 T40 R58 M61 I65 A74 V75T39-M80 WeakPolarHBondContact CA-O 3.48Å; T39-M80 PolarHBondContact OG1-O 3.29Å; T40-M80 HydrophobicContact CG2-CB 3.8Å; T40-M80 HydrophobicContact CG2-CG 4.34Å; T40-M80 HydrophobicContact CG2-SD 4.43Å; T40-M80 PolarHBondContact N-O 3.23Å; T40-M80 PolarHBondContact OG1-N 3.39Å; R58-M80 HydrophobicContact CG-SD 3.61Å; M61-M80 HydrophobicContact CE-CB 4.08Å; M61-M80 HydrophobicContact CG-CB 4.32Å; M61-M80 HydrophobicContact CG-CE 4.18Å; M61-M80 HydrophobicContact SD-CB 3.48Å; M61-M80 WeakPolarHBondContact SD-CB 3.35Å; I65-M80 HydrophobicContact CD1-CE 3.41Å; I65-M80 VanDerWaalsContact CD1-CE 3.41Å; A74-M80 CarbonylContact O-C 3.59Å; A74-M80 WeakPolarHBondContact O-CA 3.34Å; V75-M80 HydrophobicContact CG2-CG 4.11Å
81Y92.5Very high91.1Very high46 Ų4640 Ų4018%0.1823%0.23CC..EExtended strand (participates in β ladder)trans-134.7150.4174.6-62.3-93.5000108.4H38 T39 Y53 M61 S73 A74 F76 N79H38-Y81 WeakPolarHBondContact O-CA 3.44Å; T39-Y81 VanDerWaalsContact OG1-CD1 3.29Å; T39-Y81 WeakPolarHBondContact OG1-CD1 3.31Å; T39-Y81 WeakPolarHBondContact OG1-CE1 3.49Å; Y53-Y81 AromaticContact CE1-CD1 3.95Å; Y53-Y81 HydrophobicContact CE1-CD1 3.95Å; Y53-Y81 HydrophobicContact CE1-CE1 4.2Å; M61-Y81 WeakPolarHBondContact CE-O 3.37Å; S73-Y81 CarbonylContact C-O 3.5Å; S73-Y81 WeakPolarHBondContact CA-O 3.42Å; S73-Y81 WeakPolarHBondContact CB-O 3.27Å; A74-Y81 PolarHBondContact N-O 3.35Å; A74-Y81 PolarHBondContact O-N 3.13Å; F76-Y81 HydrophobicContact CB-CD2 3.95Å; F76-Y81 HydrophobicContact CB-CE2 3.83Å; F76-Y81 HydrophobicContact CD1-CE2 4.44Å; N79-Y81 HydrophobicContact CB-CE2 3.72Å
82G94.4Very high91Very high0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-174.2148.2177.800000113.7S37 H38 M61 F70 E72S37-G82 WeakPolarHBondContact CA-O 3.47Å; S37-G82 WeakPolarHBondContact CB-O 3.24Å; H38-G82 PolarHBondContact N-O 3.14Å; H38-G82 PolarHBondContact O-N 3.16Å; H38-G82 VanDerWaalsContact O-N 3.12Å; M61-G82 VanDerWaalsContact CE-N 3.28Å; F70-G82 WeakPolarHBondContact CE1-O 3.47Å; E72-G82 WeakPolarHBondContact O-CA 3.47Å; E72-G82 WeakPolarHBondContact OE1-CA 3.28Å
83T95.1Very high90.9Very high0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-95.7114.1176-57.50000109.3S35 I71 E72 V88 L100S35-T83 VanDerWaalsContact OG-CG2 3.32Å; S35-T83 WeakPolarHBondContact OG-CG2 3.48Å; I71-T83 PolarHBondContact N-O 2.83Å; E72-T83 PolarHBondContact O-N 3.43Å; E72-T83 VanDerWaalsContact O-N 3.15Å; E72-T83 WeakPolarHBondContact OE1-CB 3.43Å; E72-T83 PolarHBondContact OE1-N 2.96Å; E72-T83 PolarHBondContact OE1-OG1 3.46Å; T83-V88 HydrophobicContact CG2-CG2 3.61Å; T83-L100 HydrophobicContact CG2-CD2 3.89Å; T83-L100 HydrophobicContact CG2-CG 4.37Å
84S95.1Very high90.8Very high10 Ų1051.8 Ų51.87%0.0728%0.28CS..EExtended strand (participates in β ladder)trans-76.5151178.784.60000111.2A86 S87 V88S84-A86 PolarHBondContact O-N 2.84Å; S84-S87 PolarHBondContact O-N 2.96Å; S84-S87 WeakPolarHBondContact OG-CB 3.45Å; S84-S87 PolarHBondContact OG-N 3.07Å; S84-S87 PolarHBondContact OG-OG 3.27Å; S84-V88 PolarHBondContact O-N 3.11Å
85R94.5Very high91Very high134 Ų13453.7 Ų53.751%0.50629%0.288SS..Hα-helixtrans-59.1-38.6172.4-69.8177.6179.5-78.8-3.9111.3G68 E69 I71 V88 Q89G68-R85 WeakPolarHBondContact O-CD 3.47Å; G68-R85 PolarHBondContact O-NE 2.82Å; E69-R85 WeakPolarHBondContact O-CG 3.43Å; E69-R85 PolarHBondContact O-N 2.78Å; I71-R85 HydrophobicContact CD1-CG 4.41Å; I71-R85 HydrophobicContact CG1-CB 4.42Å; I71-R85 HydrophobicContact CG1-CG 3.63Å; R85-V88 PolarHBondContact O-N 3.43Å; R85-Q89 WeakPolarHBondContact O-CB 3.44Å; R85-Q89 PolarHBondContact O-N 3.24Å
86A93.6Very high91.3Very high58 Ų5851.3 Ų51.348%0.47927%0.273SS..Hα-helixtrans-62.2-46.9176.700000111.9S84 V88 Q89 D90S84-A86 PolarHBondContact O-N 2.84Å; A86-V88 PolarHBondContact O-N 3.07Å; A86-Q89 PolarHBondContact O-N 3.34Å; A86-D90 VanDerWaalsContact O-CG 3.31Å; A86-D90 PolarHBondContact O-N 3.04Å
87S93.6Very high92.2Very high9 Ų948.9 Ų48.96%0.06326%0.263CS..Hα-helixtrans-56-38.4178.3-57.30000112.3S35 V36 S84S35-S87 WeakPolarHBondContact OG-CB 3.26Å; V36-S87 WeakPolarHBondContact O-CB 3.45Å; V36-S87 PolarHBondContact O-OG 2.79Å; S84-S87 PolarHBondContact O-N 2.96Å; S84-S87 WeakPolarHBondContact OG-CB 3.45Å; S84-S87 PolarHBondContact OG-N 3.07Å; S84-S87 PolarHBondContact OG-OG 3.27Å
88V93.5Very high93.1Very high3 Ų346.2 Ų46.22%0.01824%0.244CC..Hα-helixtrans-75.9-39.8176.1172.10000111.5I71 T83 S84 R85 A86 V91 K92 L100 L115I71-V88 HydrophobicContact CD1-CB 3.85Å; I71-V88 HydrophobicContact CD1-CG1 4.26Å; I71-V88 HydrophobicContact CD1-CG2 3.53Å; T83-V88 HydrophobicContact CG2-CG2 3.61Å; S84-V88 PolarHBondContact O-N 3.11Å; R85-V88 PolarHBondContact O-N 3.43Å; A86-V88 PolarHBondContact O-N 3.07Å; V88-V91 PolarHBondContact O-N 3.46Å; V88-K92 HydrophobicContact CG1-CD 4.07Å; V88-K92 HydrophobicContact CG1-CG 4.43Å; V88-K92 WeakPolarHBondContact O-CG 3.33Å; V88-K92 PolarHBondContact O-N 2.91Å; V88-K92 VanDerWaalsContact O-N 3.11Å; V88-L100 HydrophobicContact CG2-CD2 4.47Å; V88-L115 HydrophobicContact CG1-CD1 3.9Å
89Q92.4Very high93.7Very high89 Ų8943.6 Ų43.642%0.41622%0.216SC..Hα-helixtrans-64.1-42179.4-167.160.84500112R85 A86 V91 K92 D93R85-Q89 WeakPolarHBondContact O-CB 3.44Å; R85-Q89 PolarHBondContact O-N 3.24Å; A86-Q89 PolarHBondContact O-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.21Å; Q89-V91 VanDerWaalsContact O-N 3.12Å; Q89-K92 WeakPolarHBondContact O-CB 3.5Å; Q89-K92 PolarHBondContact O-N 3.37Å; Q89-D93 PolarHBondContact NE2-OD1 3.12Å; Q89-D93 PolarHBondContact O-N 2.85Å
90D91.7Very high93.9Very high90 Ų9041.3 Ų41.348%0.48120%0.204SC..Hα-helixtrans-57-31.2178-73.6-8.9000113A86 K94A86-D90 VanDerWaalsContact O-CG 3.31Å; A86-D90 PolarHBondContact O-N 3.04Å; D90-K94 WeakPolarHBondContact O-CD 3.49Å; D90-K94 WeakPolarHBondContact O-CE 3.43Å; D90-K94 WeakPolarHBondContact O-CG 3.48Å
91V93.5Very high93.9Very high9 Ų942.3 Ų42.36%0.05521%0.21CC..Hα-helixtrans-81.9-41176.5-176.10000111.1V88 Q89 D93 K94 L96 C98V88-V91 PolarHBondContact O-N 3.46Å; Q89-V91 PolarHBondContact O-N 3.21Å; Q89-V91 VanDerWaalsContact O-N 3.12Å; V91-D93 VanDerWaalsContact C-N 3.34Å; V91-D93 PolarHBondContact O-N 2.81Å; V91-K94 PolarHBondContact O-N 2.87Å; V91-L96 HydrophobicContact CG1-CB 3.72Å; V91-L96 PolarHBondContact O-N 3.42Å; V91-C98 HydrophobicContact CB-CB 4Å; V91-C98 HydrophobicContact CG1-CB 3.76Å
92K91.4Very high93.8Very high74 Ų7440.6 Ų40.632%0.32220%0.204SC..Hα-helixtrans-61.9-40.3176.7-74.1178.21761790112V88 Q89 K94 N95V88-K92 HydrophobicContact CG1-CD 4.07Å; V88-K92 HydrophobicContact CG1-CG 4.43Å; V88-K92 WeakPolarHBondContact O-CG 3.33Å; V88-K92 PolarHBondContact O-N 2.91Å; V88-K92 VanDerWaalsContact O-N 3.11Å; Q89-K92 WeakPolarHBondContact O-CB 3.5Å; Q89-K92 PolarHBondContact O-N 3.37Å; K92-K94 PolarHBondContact O-N 3.08Å; K92-N95 WeakPolarHBondContact O-CA 3.06Å; K92-N95 PolarHBondContact O-N 2.86Å
93D92.2Very high93.5Very high115 Ų11542.7 Ų42.762%0.61522%0.215SC*.THydrogen-bonded Turntrans-65.5-23.6179.6-70.9-13.5000112.6Q89 V91 N95Q89-D93 PolarHBondContact NE2-OD1 3.12Å; Q89-D93 PolarHBondContact O-N 2.85Å; V91-D93 VanDerWaalsContact C-N 3.34Å; V91-D93 PolarHBondContact O-N 2.81Å; D93-N95 VanDerWaalsContact C-N 3.27Å
94K91.9Very high93.3Very high143 Ų14343 Ų4362%0.62222%0.216SC*.THydrogen-bonded Turntrans-86.83.8173.1-63.5170.2-171.1168.20113D90 V91 K92 L96D90-K94 WeakPolarHBondContact O-CD 3.49Å; D90-K94 WeakPolarHBondContact O-CE 3.43Å; D90-K94 WeakPolarHBondContact O-CG 3.48Å; V91-K94 PolarHBondContact O-N 2.87Å; K92-K94 PolarHBondContact O-N 3.08Å; K94-L96 HydrophobicContact CB-CD1 3.9Å; K94-L96 HydrophobicContact CB-CG 3.8Å; K94-L96 HydrophobicContact CD-CD1 4.33Å; K94-L96 PolarHBondContact O-N 3.14Å
95N92.9Very high93Very high48 Ų4847.2 Ų47.226%0.25724%0.235SC..THydrogen-bonded Turntrans55.234.7-176-164.252.6000113.5P4 K92 D93 T195P4-N95 WeakPolarHBondContact CD-OD1 3.38Å; K92-N95 WeakPolarHBondContact O-CA 3.06Å; K92-N95 PolarHBondContact O-N 2.86Å; D93-N95 VanDerWaalsContact C-N 3.27Å; N95-T195 VanDerWaalsContact ND2-CG2 3.33Å; N95-T195 WeakPolarHBondContact ND2-CG2 3.42Å
96L95.4Very high92.9Very high28 Ų2840.9 Ų40.915%0.14721%0.211CC..  trans-100.7156.2178.3-56.6177.6000110.9G30 I31 V91 K94 C98G30-L96 VanDerWaalsContact C-CD2 3.43Å; G30-L96 WeakPolarHBondContact O-CD2 3.37Å; I31-L96 WeakPolarHBondContact O-CA 3.26Å; V91-L96 HydrophobicContact CG1-CB 3.72Å; V91-L96 PolarHBondContact O-N 3.42Å; K94-L96 HydrophobicContact CB-CD1 3.9Å; K94-L96 HydrophobicContact CB-CG 3.8Å; K94-L96 HydrophobicContact CD-CD1 4.33Å; K94-L96 PolarHBondContact O-N 3.14Å; L96-C98 PolarHBondContact O-N 3.46Å
97I97Very high92.9Very high0 Ų038.1 Ų38.10%019%0.188CC..EExtended strand (participates in β ladder)trans-70113.1167.9-60.6168.9000108.3P4 V7 I31 F32 G33 V99 E188 I189 V192P4-I97 HydrophobicContact CB-CG1 3.77Å; V7-I97 HydrophobicContact CG2-CG2 3.72Å; I31-I97 HydrophobicContact CG2-CD1 3.99Å; I31-I97 PolarHBondContact O-N 2.65Å; F32-I97 WeakPolarHBondContact CA-O 3.48Å; F32-I97 HydrophobicContact CD1-CB 3.55Å; F32-I97 HydrophobicContact CD1-CD1 4.23Å; F32-I97 HydrophobicContact CD1-CG1 4.47Å; F32-I97 HydrophobicContact CD1-CG2 3.63Å; F32-I97 HydrophobicContact CE1-CB 3.8Å; F32-I97 HydrophobicContact CE1-CD1 3.7Å; F32-I97 HydrophobicContact CE1-CG1 4.35Å; F32-I97 HydrophobicContact CE1-CG2 3.61Å; F32-I97 HydrophobicContact CG-CB 4.35Å; F32-I97 HydrophobicContact CZ-CD1 3.95Å; G33-I97 PolarHBondContact N-O 3.1Å; I97-V99 PolarHBondContact O-N 2.86Å; I97-E188 HydrophobicContact CD1-CB 3.71Å; I97-E188 HydrophobicContact CG1-CB 4.46Å; I97-I189 HydrophobicContact CD1-CG1 4.3Å; I97-V192 HydrophobicContact CD1-CG2 4.13Å; I97-V192 HydrophobicContact CG1-CG2 3.78Å
98C96.5Very high92.8Very high1 Ų143.9 Ų43.91%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-74.5122.5178.2-176.10000111.3P6 V7 G33 V91 L96P6-C98 CarbonylContact C-O 3.49Å; P6-C98 VanDerWaalsContact CA-O 3.27Å; P6-C98 WeakPolarHBondContact CA-O 3.38Å; P6-C98 HydrophobicContact CB-CB 4.09Å; P6-C98 WeakPolarHBondContact CB-O 3.43Å; P6-C98 HydrophobicContact CG-CB 4.44Å; V7-C98 PolarHBondContact N-O 2.88Å; G33-C98 WeakPolarHBondContact O-CA 3.43Å; V91-C98 HydrophobicContact CB-CB 4Å; V91-C98 HydrophobicContact CG1-CB 3.76Å; L96-C98 PolarHBondContact O-N 3.46Å
99V96.4Very high92.8Very high1 Ų145 Ų451%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-102.9125.5177.7179.80000109.8V7 L21 F32 G33 F34 S35 I97V7-V99 CarbonylContact O-C 3.55Å; V7-V99 WeakPolarHBondContact O-CA 3.34Å; L21-V99 HydrophobicContact CD1-CG1 4.23Å; L21-V99 HydrophobicContact CD2-CG1 3.56Å; F32-V99 HydrophobicContact CB-CG2 4.26Å; F32-V99 HydrophobicContact CD1-CG2 3.69Å; F32-V99 HydrophobicContact CG-CG2 4.38Å; G33-V99 PolarHBondContact O-N 2.86Å; F34-V99 HydrophobicContact CD2-CB 4.17Å; F34-V99 HydrophobicContact CD2-CG1 4.01Å; F34-V99 HydrophobicContact CE2-CG1 4.26Å; S35-V99 WeakPolarHBondContact CB-O 3.49Å; S35-V99 PolarHBondContact N-O 2.94Å; I97-V99 PolarHBondContact O-N 2.86Å
100L95.3Very high92.9Very high0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-111.8122.5174.2-66.579.7000109P6 V7 V8 L9 T83 V88 I102 V110 L115P6-L100 HydrophobicContact CB-CD1 4.18Å; V7-L100 PolarHBondContact O-N 3.11Å; V8-L100 HydrophobicContact CG2-CB 4.07Å; V8-L100 HydrophobicContact CG2-CD2 4.34Å; L9-L100 PolarHBondContact N-O 3.09Å; T83-L100 HydrophobicContact CG2-CD2 3.89Å; T83-L100 HydrophobicContact CG2-CG 4.37Å; V88-L100 HydrophobicContact CG2-CD2 4.47Å; L100-I102 HydrophobicContact CB-CG2 4.35Å; L100-V110 HydrophobicContact CD2-CG2 4.45Å; L100-L115 HydrophobicContact CD1-CD2 4.29Å; L100-L115 HydrophobicContact CD2-CD2 3.86Å
101D92.4Very high93Very high31 Ų3140 Ų4017%0.16619%0.191CC..EExtended strand (participates in β ladder)trans-102.298.2170.5-175.56.4000108.9L9 K17 L21 F34L9-D101 WeakPolarHBondContact O-CA 3.49Å; K17-D101 WeakPolarHBondContact CD-OD1 3.33Å; K17-D101 WeakPolarHBondContact CE-OD1 3.39Å; L21-D101 HydrophobicContact CD1-CB 4.04Å; F34-D101 HydrophobicContact CE2-CB 3.81Å; F34-D101 HydrophobicContact CZ-CB 3.78Å
102I91.1Very high92.9Very high10 Ų1045.5 Ų45.55%0.05123%0.225CC..  trans-133.9156-171.162.1-177000112V8 L9 S10 L100 G106 V107 V110V8-I102 HydrophobicContact CG1-CD1 3.78Å; V8-I102 HydrophobicContact CG1-CG1 3.75Å; V8-I102 HydrophobicContact CG2-CD1 4.05Å; L9-I102 PolarHBondContact O-N 3.34Å; S10-I102 WeakPolarHBondContact CA-O 3.34Å; S10-I102 VanDerWaalsContact CB-O 3.26Å; S10-I102 WeakPolarHBondContact CB-O 3.43Å; S10-I102 PolarHBondContact OG-O 2.73Å; L100-I102 HydrophobicContact CB-CG2 4.35Å; I102-G106 VanDerWaalsContact CD1-C 3.47Å; I102-V107 HydrophobicContact CG1-CG2 4.28Å; I102-V110 HydrophobicContact CD1-CB 4.48Å; I102-V110 HydrophobicContact CD1-CG2 3.69Å
103D89.1Confident93Very high43 Ų4343.8 Ų43.823%0.2322%0.221CC..  trans-77.4-178.2176.979.4-12.4000112.3Q105 G106 V107D103-Q105 PolarHBondContact O-N 3.17Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.43Å; D103-Q105 PolarHBondContact OD1-N 2.81Å; D103-Q105 VanDerWaalsContact OD1-N 3.09Å; D103-Q105 PolarHBondContact OD2-NE2 3.46Å; D103-Q105 VanDerWaalsContact OD2-NE2 3.11Å; D103-G106 PolarHBondContact O-N 3.05Å; D103-G106 PolarHBondContact OD1-N 3.45Å; D103-V107 WeakPolarHBondContact O-CG2 3.38Å; D103-V107 PolarHBondContact O-N 2.9Å
104M89.1Confident92.9Very high6 Ų645.4 Ų45.43%0.0323%0.229CC..Hα-helixtrans-64.4-29-179.5-167.46072.800113.2V107 R108 F121 D155 I158 I164 F165M104-V107 HydrophobicContact SD-CB 4.44Å; M104-R108 WeakPolarHBondContact O-CG 3.41Å; M104-R108 PolarHBondContact O-N 2.86Å; M104-F121 HydrophobicContact CE-CD2 4.22Å; M104-F121 HydrophobicContact CE-CE2 3.77Å; M104-D155 WeakPolarHBondContact CB-OD1 3.34Å; M104-D155 HydrophobicContact CE-CB 4.29Å; M104-I158 HydrophobicContact CE-CB 4Å; M104-I158 HydrophobicContact CE-CG2 3.84Å; M104-I158 HydrophobicContact CG-CB 4.39Å; M104-I158 HydrophobicContact CG-CD1 3.99Å; M104-I158 HydrophobicContact CG-CG2 3.89Å; M104-I158 HydrophobicContact SD-CB 4.3Å; M104-I158 HydrophobicContact SD-CG2 3.53Å; M104-I158 VanDerWaalsContact SD-CG2 3.53Å; M104-I164 HydrophobicContact SD-CG2 4.24Å; M104-F165 HydrophobicContact CE-CE2 3.56Å; M104-F165 HydrophobicContact CE-CZ 3.72Å; M104-F165 HydrophobicContact SD-CE2 3.95Å; M104-F165 HydrophobicContact SD-CZ 3.87Å
105Q89.5Confident92.9Very high100 Ų10039.1 Ų39.147%0.46720%0.202SC..Hα-helixtrans-68.8-46.2175.5-63.9176.789.800110.1A74 V75 D103 V107 R108 A109A74-Q105 HydrophobicContact CB-CB 3.92Å; V75-Q105 PolarHBondContact O-NE2 3.43Å; D103-Q105 PolarHBondContact O-N 3.17Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.43Å; D103-Q105 PolarHBondContact OD1-N 2.81Å; D103-Q105 VanDerWaalsContact OD1-N 3.09Å; D103-Q105 PolarHBondContact OD2-NE2 3.46Å; D103-Q105 VanDerWaalsContact OD2-NE2 3.11Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 2.84Å; Q105-R108 PolarHBondContact O-N 3.21Å; Q105-A109 PolarHBondContact O-N 3.11Å
106G91.8Very high92.9Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-57.9-43.717300000112.1E72 I102 D103 R108 A109 V110E72-G106 WeakPolarHBondContact OE2-CA 3.37Å; I102-G106 VanDerWaalsContact CD1-C 3.47Å; D103-G106 PolarHBondContact O-N 3.05Å; D103-G106 PolarHBondContact OD1-N 3.45Å; G106-R108 VanDerWaalsContact C-N 3.33Å; G106-R108 PolarHBondContact O-N 3.05Å; G106-A109 PolarHBondContact O-N 3.35Å; G106-V110 VanDerWaalsContact O-CG2 3.3Å; G106-V110 WeakPolarHBondContact O-CG2 3.42Å; G106-V110 PolarHBondContact O-N 3.48Å
107V94.1Very high93Very high0 Ų040.4 Ų40.40%021%0.209CC..Hα-helixtrans-55.6-47.3175.4170.50000111.5V8 I102 D103 M104 Q105 V110 K111 Y119 I164 F165V8-V107 HydrophobicContact CG1-CG2 3.87Å; I102-V107 HydrophobicContact CG1-CG2 4.28Å; D103-V107 WeakPolarHBondContact O-CG2 3.38Å; D103-V107 PolarHBondContact O-N 2.9Å; M104-V107 HydrophobicContact SD-CB 4.44Å; Q105-V107 VanDerWaalsContact C-N 3.34Å; Q105-V107 PolarHBondContact O-N 2.84Å; V107-V110 PolarHBondContact O-N 3.11Å; V107-K111 WeakPolarHBondContact O-CG 3.24Å; V107-K111 PolarHBondContact O-N 2.85Å; V107-K111 VanDerWaalsContact O-N 3.09Å; V107-Y119 HydrophobicContact CG1-CD1 3.98Å; V107-Y119 HydrophobicContact CG1-CE1 4.18Å; V107-I164 HydrophobicContact CG1-CG2 4.16Å; V107-F165 HydrophobicContact CG1-CE1 4.09Å; V107-F165 HydrophobicContact CG1-CZ 4.07Å; V107-F165 HydrophobicContact CG2-CE1 3.89Å; V107-F165 HydrophobicContact CG2-CZ 3.99Å
108R92.4Very high93Very high130 Ų13041.1 Ų41.149%0.49121%0.213SC..Hα-helixtrans-64.6-42.5179-71.6175.7176.7-178.1-1.9111.8M104 Q105 G106 K111M104-R108 WeakPolarHBondContact O-CG 3.41Å; M104-R108 PolarHBondContact O-N 2.86Å; Q105-R108 PolarHBondContact O-N 3.21Å; G106-R108 VanDerWaalsContact C-N 3.33Å; G106-R108 PolarHBondContact O-N 3.05Å; R108-K111 PolarHBondContact O-N 3.39Å
109A92.4Very high93.1Very high28 Ų2841.8 Ų41.823%0.23122%0.216CC..Hα-helixtrans-63-47.3177.300000111.4E72 Q105 G106 K111 T112E72-A109 HydrophobicContact CB-CB 3.52Å; Q105-A109 PolarHBondContact O-N 3.11Å; G106-A109 PolarHBondContact O-N 3.35Å; A109-K111 VanDerWaalsContact C-N 3.26Å; A109-K111 PolarHBondContact O-N 3.27Å; A109-T112 PolarHBondContact O-N 2.9Å; A109-T112 PolarHBondContact O-OG1 2.89Å
110V94.4Very high93.2Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-62-33.5178.6176.90000111.8V8 I71 E72 L100 I102 G106 V107 T112 T113 L115 P117 Y119V8-V110 HydrophobicContact CG2-CG1 4.3Å; I71-V110 HydrophobicContact CG2-CG2 4.17Å; E72-V110 HydrophobicContact CB-CG2 4.23Å; E72-V110 HydrophobicContact CG-CG2 3.9Å; L100-V110 HydrophobicContact CD2-CG2 4.45Å; I102-V110 HydrophobicContact CD1-CB 4.48Å; I102-V110 HydrophobicContact CD1-CG2 3.69Å; G106-V110 VanDerWaalsContact O-CG2 3.3Å; G106-V110 WeakPolarHBondContact O-CG2 3.42Å; G106-V110 PolarHBondContact O-N 3.48Å; V107-V110 PolarHBondContact O-N 3.11Å; V110-T112 PolarHBondContact O-N 2.75Å; V110-T113 WeakPolarHBondContact O-CB 3.49Å; V110-T113 PolarHBondContact O-N 3.38Å; V110-T113 PolarHBondContact O-OG1 3.26Å; V110-L115 HydrophobicContact CG1-CB 4.17Å; V110-L115 HydrophobicContact CG1-CD2 3.77Å; V110-L115 HydrophobicContact CG1-CG 4.48Å; V110-P117 HydrophobicContact CG1-CG 3.81Å; V110-Y119 HydrophobicContact CG1-CE1 4.3Å
111K93.7Very high93.3Very high74 Ų7441.8 Ų41.832%0.32222%0.215SC..Hα-helixtrans-63.4-21.7173.6-79.4-177.4-175.7-81.50114.6V107 R108 A109 Y119 G163 I164V107-K111 WeakPolarHBondContact O-CG 3.24Å; V107-K111 PolarHBondContact O-N 2.85Å; V107-K111 VanDerWaalsContact O-N 3.09Å; R108-K111 PolarHBondContact O-N 3.39Å; A109-K111 VanDerWaalsContact C-N 3.26Å; A109-K111 PolarHBondContact O-N 3.27Å; K111-Y119 WeakPolarHBondContact CA-OH 3.38Å; K111-Y119 HydrophobicContact CG-CE1 3.88Å; K111-Y119 HydrophobicContact CG-CE2 4.14Å; K111-Y119 VanDerWaalsContact CG-OH 3.3Å; K111-Y119 WeakPolarHBondContact CG-OH 3.48Å; K111-Y119 PolarHBondContact N-OH 3.04Å; K111-G163 PolarHBondContact NZ-O 2.97Å; K111-I164 WeakPolarHBondContact CE-O 3.21Å; K111-I164 PolarHBondContact NZ-O 3.42Å
112T92.8Very high93.5Very high124 Ų12440.3 Ų40.376%0.76121%0.207SC*.THydrogen-bonded Turntrans-85.22173.367.90000113.3A109 V110A109-T112 PolarHBondContact O-N 2.9Å; A109-T112 PolarHBondContact O-OG1 2.89Å; V110-T112 PolarHBondContact O-N 2.75Å
113T91.9Very high93.8Very high38 Ų3841.4 Ų41.423%0.23321%0.213CC..SBendtrans-107168.617976.70000111.7I71 V110 L115I71-T113 HydrophobicContact CG2-CG2 3.98Å; V110-T113 WeakPolarHBondContact O-CB 3.49Å; V110-T113 PolarHBondContact O-N 3.38Å; V110-T113 PolarHBondContact O-OG1 3.26Å; T113-L115 PolarHBondContact O-N 3Å; T113-L115 WeakPolarHBondContact OG1-CB 3.42Å; T113-L115 PolarHBondContact OG1-N 3.39Å
114D90.9Very high94Very high148 Ų14839.4 Ų39.479%0.79120%0.202SC*.THydrogen-bonded Turntrans-83.2717465.1-24.2000113.5N116D114-N116 PolarHBondContact O-N 3.32Å; D114-N116 VanDerWaalsContact O-N 3.15Å
115L91.9Very high94.3Very high12 Ų1241 Ų416%0.06321%0.212CC..THydrogen-bonded Turntrans-61.1-27.9-175.7-17162.5000113P6 V88 L100 V110 T113 P117P6-L115 HydrophobicContact CB-CD1 4.49Å; P6-L115 HydrophobicContact CB-CG 4.41Å; P6-L115 HydrophobicContact CG-CD1 3.74Å; P6-L115 HydrophobicContact CG-CG 4.02Å; V88-L115 HydrophobicContact CG1-CD1 3.9Å; L100-L115 HydrophobicContact CD1-CD2 4.29Å; L100-L115 HydrophobicContact CD2-CD2 3.86Å; V110-L115 HydrophobicContact CG1-CB 4.17Å; V110-L115 HydrophobicContact CG1-CD2 3.77Å; V110-L115 HydrophobicContact CG1-CG 4.48Å; T113-L115 PolarHBondContact O-N 3Å; T113-L115 WeakPolarHBondContact OG1-CB 3.42Å; T113-L115 PolarHBondContact OG1-N 3.39Å; L115-P117 VanDerWaalsContact C-CD 3.49Å
116N93.4Very high94.5Very high103 Ų10338 Ų3855%0.55120%0.202SC*.  trans43.853.2178.2-172.326.5000114.2R5 D114R5-N116 WeakPolarHBondContact CD-O 3.04Å; R5-N116 WeakPolarHBondContact CG-O 3.37Å; R5-N116 PolarHBondContact NE-O 2.99Å; D114-N116 PolarHBondContact O-N 3.32Å; D114-N116 VanDerWaalsContact O-N 3.15Å
117P96.7Very high94.7Very high0 Ų040.3 Ų40.30%021%0.214CC..  trans-77.5168.5-18035.6-37.9000112.1R5 P6 V8 V110 L115 Y119R5-P117 PolarHBondContact NH2-O 2.9Å; P6-P117 HydrophobicContact CB-CB 4.07Å; P6-P117 CarbonylContact O-C 3.44Å; P6-P117 WeakPolarHBondContact O-CA 3.27Å; P6-P117 WeakPolarHBondContact O-CB 3.29Å; V8-P117 HydrophobicContact CB-CB 4.41Å; V8-P117 HydrophobicContact CB-CG 4.34Å; V8-P117 HydrophobicContact CG2-CB 3.79Å; V8-P117 HydrophobicContact CG2-CG 3.59Å; V110-P117 HydrophobicContact CG1-CG 3.81Å; L115-P117 VanDerWaalsContact C-CD 3.49Å; P117-Y119 WeakPolarHBondContact CD-OH 3.23Å; P117-Y119 HydrophobicContact CG-CD1 4.29Å; P117-Y119 HydrophobicContact CG-CD2 4.2Å; P117-Y119 HydrophobicContact CG-CE1 3.71Å; P117-Y119 HydrophobicContact CG-CE2 3.6Å; P117-Y119 WeakPolarHBondContact CG-OH 3.49Å; P117-Y119 WeakPolarHBondContact O-CD2 3.45Å; P117-Y119 WeakPolarHBondContact O-CE2 2.78Å
118I97.6Very high94.7Very high15 Ų1544.1 Ų44.18%0.07724%0.241CC..EExtended strand (participates in β ladder)trans-81.4122.4161.6-57.1171.4000107.7R5 P6 V7 V8 I120 D166 T184 L185 E188R5-I118 HydrophobicContact CG-CG1 4.37Å; P6-I118 PolarHBondContact O-N 2.97Å; V7-I118 WeakPolarHBondContact CA-O 3.38Å; V7-I118 HydrophobicContact CG2-CB 4.42Å; V8-I118 PolarHBondContact N-O 3.28Å; I118-I120 HydrophobicContact CG2-CD1 4.33Å; I118-I120 HydrophobicContact CG2-CG1 4.05Å; I118-D166 WeakPolarHBondContact CA-OD2 3.43Å; I118-D166 HydrophobicContact CG2-CB 4.4Å; I118-T184 HydrophobicContact CG2-CG2 4.21Å; I118-L185 HydrophobicContact CD1-CD2 4.06Å; I118-E188 HydrophobicContact CD1-CG 3.71Å
119Y97.9Very high94.8Very high15 Ų1540.9 Ų40.96%0.05923%0.232CC..EExtended strand (participates in β ladder)trans-97.2115.4-177.5-64.8-89.5000111V8 V107 V110 K111 P117 D166 V167V8-Y119 HydrophobicContact CB-CD1 3.88Å; V8-Y119 HydrophobicContact CB-CE1 4.28Å; V8-Y119 HydrophobicContact CG1-CD1 3.91Å; V8-Y119 HydrophobicContact CG1-CE1 4.39Å; V8-Y119 HydrophobicContact CG2-CD1 4.31Å; V8-Y119 HydrophobicContact CG2-CE1 4.2Å; V107-Y119 HydrophobicContact CG1-CD1 3.98Å; V107-Y119 HydrophobicContact CG1-CE1 4.18Å; V110-Y119 HydrophobicContact CG1-CE1 4.3Å; K111-Y119 WeakPolarHBondContact CA-OH 3.38Å; K111-Y119 HydrophobicContact CG-CE1 3.88Å; K111-Y119 HydrophobicContact CG-CE2 4.14Å; K111-Y119 VanDerWaalsContact CG-OH 3.3Å; K111-Y119 WeakPolarHBondContact CG-OH 3.48Å; K111-Y119 PolarHBondContact N-OH 3.04Å; P117-Y119 WeakPolarHBondContact CD-OH 3.23Å; P117-Y119 HydrophobicContact CG-CD1 4.29Å; P117-Y119 HydrophobicContact CG-CD2 4.2Å; P117-Y119 HydrophobicContact CG-CE1 3.71Å; P117-Y119 HydrophobicContact CG-CE2 3.6Å; P117-Y119 WeakPolarHBondContact CG-OH 3.49Å; P117-Y119 WeakPolarHBondContact O-CD2 3.45Å; P117-Y119 WeakPolarHBondContact O-CE2 2.78Å; Y119-D166 PolarHBondContact N-OD2 3.47Å; Y119-D166 WeakPolarHBondContact O-CB 3.4Å; Y119-D166 PolarHBondContact O-N 2.57Å; Y119-V167 PolarHBondContact O-N 2.75Å
120I98.1Very high94.9Very high0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans-121124.9-179.3-54.3177.9000109.6V7 V8 L9 S10 I118 I122 V167 I169 L181 T184 L185V7-I120 HydrophobicContact CG1-CD1 4.04Å; V8-I120 PolarHBondContact O-N 3.07Å; L9-I120 WeakPolarHBondContact CA-O 3.39Å; L9-I120 HydrophobicContact CD1-CB 3.87Å; L9-I120 HydrophobicContact CD1-CD1 4.28Å; L9-I120 HydrophobicContact CD1-CG2 4.05Å; S10-I120 PolarHBondContact N-O 3.15Å; I118-I120 HydrophobicContact CG2-CD1 4.33Å; I118-I120 HydrophobicContact CG2-CG1 4.05Å; I120-I122 HydrophobicContact CG2-CD1 3.94Å; I120-V167 WeakPolarHBondContact CA-O 3.32Å; I120-I169 HydrophobicContact CG2-CD1 3.61Å; I120-I169 HydrophobicContact CG2-CG1 3.96Å; I120-L181 HydrophobicContact CD1-CD1 3.64Å; I120-L181 HydrophobicContact CG2-CD1 4.44Å; I120-T184 HydrophobicContact CD1-CG2 3.66Å; I120-T184 HydrophobicContact CG1-CG2 4.13Å; I120-L185 HydrophobicContact CD1-CD2 3.92Å; I120-L185 HydrophobicContact CD1-CG 4.25Å
121F97.9Very high95Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-100.3123.2173.5-169.9-102.5000111.1S10 G11 M104 Q123 D155 S159 F165 V167 V168 I169S10-F121 CarbonylContact O-C 3.59Å; S10-F121 WeakPolarHBondContact O-CA 3.46Å; G11-F121 VanDerWaalsContact CA-CE2 3.46Å; M104-F121 HydrophobicContact CE-CD2 4.22Å; M104-F121 HydrophobicContact CE-CE2 3.77Å; F121-Q123 HydrophobicContact CD1-CB 4.05Å; F121-Q123 HydrophobicContact CE1-CB 4Å; F121-Q123 HydrophobicContact CE1-CG 4.12Å; F121-D155 HydrophobicContact CE2-CB 4.31Å; F121-D155 HydrophobicContact CZ-CB 4.17Å; F121-S159 VanDerWaalsContact CD1-CB 3.43Å; F121-S159 WeakPolarHBondContact CE1-OG 3.48Å; F121-F165 HydrophobicContact CB-CB 4.31Å; F121-F165 HydrophobicContact CB-CD1 3.71Å; F121-F165 HydrophobicContact CB-CD2 3.71Å; F121-F165 HydrophobicContact CB-CE1 3.92Å; F121-F165 HydrophobicContact CB-CE2 3.9Å; F121-F165 HydrophobicContact CB-CG 3.63Å; F121-F165 HydrophobicContact CB-CZ 4.02Å; F121-F165 HydrophobicContact CD2-CD2 4.21Å; F121-F165 HydrophobicContact CD2-CE1 4.05Å; F121-F165 AromaticContact CD2-CE2 3.53Å; F121-F165 HydrophobicContact CD2-CE2 3.53Å; F121-F165 AromaticContact CD2-CZ 3.46Å; F121-F165 HydrophobicContact CD2-CZ 3.46Å; F121-F165 VanDerWaalsContact CD2-CZ 3.46Å; F121-F165 HydrophobicContact CE2-CE2 4.28Å; F121-F165 HydrophobicContact CE2-CZ 4.31Å; F121-F165 HydrophobicContact CG-CD2 4.18Å; F121-F165 HydrophobicContact CG-CE1 4.49Å; F121-F165 AromaticContact CG-CE2 3.96Å; F121-F165 HydrophobicContact CG-CE2 3.96Å; F121-F165 HydrophobicContact CG-CZ 4.15Å; F121-V167 PolarHBondContact N-O 2.79Å; F121-V168 HydrophobicContact CB-CG2 4.24Å; F121-V168 HydrophobicContact CD1-CG1 4.14Å; F121-V168 CarbonylContact O-C 3.48Å; F121-V168 WeakPolarHBondContact O-CA 3.49Å; F121-I169 PolarHBondContact O-N 2.94Å
122I97.7Very high95Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-93.1112.7173.5-51.5-54.2000108.6L9 S10 G11 A15 K17 L20 I120 I169 N171L9-I122 HydrophobicContact CD1-CD1 4.38Å; L9-I122 HydrophobicContact CD2-CD1 4.23Å; L9-I122 HydrophobicContact CD2-CG1 3.74Å; L9-I122 HydrophobicContact CG-CD1 4.26Å; L9-I122 HydrophobicContact CG-CG1 3.89Å; S10-I122 PolarHBondContact O-N 3.25Å; G11-I122 WeakPolarHBondContact CA-O 3.38Å; A15-I122 HydrophobicContact CB-CB 4.41Å; A15-I122 HydrophobicContact CB-CG2 4.07Å; A15-I122 VanDerWaalsContact CB-O 3.3Å; A15-I122 WeakPolarHBondContact CB-O 3.33Å; A15-I122 WeakPolarHBondContact O-CG2 3.33Å; K17-I122 HydrophobicContact CG-CB 3.96Å; K17-I122 HydrophobicContact CG-CG1 3.99Å; L20-I122 HydrophobicContact CD1-CD1 3.82Å; L20-I122 HydrophobicContact CD1-CG1 4.12Å; L20-I122 HydrophobicContact CD1-CG2 3.88Å; I120-I122 HydrophobicContact CG2-CD1 3.94Å; I122-I169 WeakPolarHBondContact CA-O 3.14Å; I122-I169 HydrophobicContact CD1-CB 3.98Å; I122-I169 HydrophobicContact CD1-CD1 4.23Å; I122-I169 HydrophobicContact CD1-CG1 4.47Å; I122-N171 HydrophobicContact CG2-CB 3.96Å
123Q95.8Very high94.9Very high34 Ų3442.2 Ų42.216%0.15922%0.222CC..EExtended strand (participates in β ladder)trans-102.7135.7-178.2-164.4-170.4-7400110.5F121 M156 V168 I169 V170 N171F121-Q123 HydrophobicContact CD1-CB 4.05Å; F121-Q123 HydrophobicContact CE1-CB 4Å; F121-Q123 HydrophobicContact CE1-CG 4.12Å; Q123-M156 HydrophobicContact CG-CE 3.54Å; Q123-M156 HydrophobicContact CG-CG 4.48Å; Q123-V168 HydrophobicContact CB-CG1 4.14Å; Q123-I169 PolarHBondContact N-O 3.31Å; Q123-V170 HydrophobicContact CB-CG2 4.47Å; Q123-V170 CarbonylContact O-C 3.58Å; Q123-V170 WeakPolarHBondContact O-CA 3.27Å; Q123-N171 PolarHBondContact O-N 2.91Å
124P94.6Very high94.8Very high0 Ų040.5 Ų40.50%021%0.211CC..  trans-67.6160.8165.731.4-36.4000111.3P12 S126 L130 M156P12-P124 HydrophobicContact CG-CG 4.18Å; P124-S126 VanDerWaalsContact C-N 3.27Å; P124-S126 PolarHBondContact O-N 3.05Å; P124-L130 HydrophobicContact CB-CB 4Å; P124-L130 HydrophobicContact CB-CD1 4.03Å; P124-L130 HydrophobicContact CG-CB 3.98Å; P124-L130 HydrophobicContact CG-CD1 3.97Å; P124-L130 HydrophobicContact CG-CD2 4.18Å; P124-L130 HydrophobicContact CG-CG 4.27Å; P124-M156 HydrophobicContact CG-CE 3.95Å; P124-M156 HydrophobicContact CG-SD 4.39Å
125P94.2Very high94.8Very high39 Ų3938.3 Ų38.325%0.25319%0.192SC..SBendtrans-63.6-35.5178-22.536.1000112.4I129 N171 D172P125-I129 HydrophobicContact CG-CG2 4.19Å; P125-N171 WeakPolarHBondContact CD-O 3.44Å; P125-N171 WeakPolarHBondContact CG-O 3.31Å; P125-D172 HydrophobicContact CB-CB 4.13Å; P125-D172 HydrophobicContact CG-CB 3.62Å; P125-D172 VanDerWaalsContact CG-OD1 3.27Å; P125-D172 WeakPolarHBondContact CG-OD1 3.39Å
126S95.3Very high94.7Very high37 Ų3743 Ų4326%0.25922%0.217SC..  trans-158.1165.3177.470.90000110.7P124 S128 I129 L130P124-S126 VanDerWaalsContact C-N 3.27Å; P124-S126 PolarHBondContact O-N 3.05Å; S126-S128 VanDerWaalsContact C-N 3.29Å; S126-S128 PolarHBondContact O-N 3.01Å; S126-S128 PolarHBondContact OG-N 2.87Å; S126-S128 PolarHBondContact OG-OG 3.44Å; S126-I129 PolarHBondContact O-N 2.92Å; S126-I129 WeakPolarHBondContact OG-CG1 3.41Å; S126-I129 PolarHBondContact OG-N 2.82Å; S126-I129 VanDerWaalsContact OG-N 3.1Å; S126-L130 PolarHBondContact O-N 3.41Å
127M94.9Very high94.2Very high49 Ų4943.2 Ų43.224%0.24121%0.21CC..Hα-helixtrans-62.5-35.4171.8-74.4-57.7-54.800112.6L130 E131 L149 A152 Q153 M156M127-L130 HydrophobicContact CE-CD2 4.07Å; M127-L130 WeakPolarHBondContact O-CB 3.44Å; M127-L130 PolarHBondContact O-N 3.26Å; M127-L130 HydrophobicContact SD-CD2 4.14Å; M127-E131 PolarHBondContact O-N 3.01Å; M127-L149 HydrophobicContact CE-CB 4.21Å; M127-L149 HydrophobicContact CE-CD2 3.82Å; M127-L149 WeakPolarHBondContact CE-O 3.24Å; M127-A152 HydrophobicContact CE-CB 4.13Å; M127-A152 HydrophobicContact SD-CB 4.28Å; M127-Q153 HydrophobicContact CE-CG 3.67Å; M127-Q153 HydrophobicContact CG-CG 4.27Å; M127-Q153 HydrophobicContact SD-CG 3.88Å; M127-M156 HydrophobicContact CG-SD 4.16Å; M127-M156 HydrophobicContact SD-SD 3.48Å
128S95Very high93.5Very high81 Ų8151.8 Ų51.857%0.56625%0.25SS*.Hα-helixtrans-66.5-39.9177.955.30000112.3S126 E131 K132S126-S128 VanDerWaalsContact C-N 3.29Å; S126-S128 PolarHBondContact O-N 3.01Å; S126-S128 PolarHBondContact OG-N 2.87Å; S126-S128 PolarHBondContact OG-OG 3.44Å; S128-E131 PolarHBondContact O-N 3.16Å; S128-K132 WeakPolarHBondContact O-CB 3.47Å; S128-K132 PolarHBondContact O-N 3.02Å
129I94.7Very high92.5Very high61 Ų6155 Ų5531%0.31327%0.271SS..Hα-helixtrans-68.4-38.1174.3-66.4-63.6000110.8P125 S126 K132 R133P125-I129 HydrophobicContact CG-CG2 4.19Å; S126-I129 PolarHBondContact O-N 2.92Å; S126-I129 WeakPolarHBondContact OG-CG1 3.41Å; S126-I129 PolarHBondContact OG-N 2.82Å; S126-I129 VanDerWaalsContact OG-N 3.1Å; I129-K132 PolarHBondContact O-N 2.84Å; I129-R133 HydrophobicContact CG2-CG 4.45Å; I129-R133 WeakPolarHBondContact O-CB 3.43Å; I129-R133 VanDerWaalsContact O-CG 3.28Å; I129-R133 WeakPolarHBondContact O-CG 3.48Å; I129-R133 PolarHBondContact O-N 3.38Å
130L94.6Very high91.5Very high0 Ų056.6 Ų56.60%028%0.278CS..Hα-helixtrans-60.5-48.5174.6-173.666.8000111.8P12 S13 G14 P124 S126 M127 R133 L134 L149 A152P12-L130 HydrophobicContact CB-CD2 4.03Å; P12-L130 HydrophobicContact CG-CD1 4.43Å; P12-L130 HydrophobicContact CG-CD2 4.12Å; S13-L130 WeakPolarHBondContact O-CD1 3.43Å; G14-L130 VanDerWaalsContact C-CD1 3.45Å; P124-L130 HydrophobicContact CB-CB 4Å; P124-L130 HydrophobicContact CB-CD1 4.03Å; P124-L130 HydrophobicContact CG-CB 3.98Å; P124-L130 HydrophobicContact CG-CD1 3.97Å; P124-L130 HydrophobicContact CG-CD2 4.18Å; P124-L130 HydrophobicContact CG-CG 4.27Å; S126-L130 PolarHBondContact O-N 3.41Å; M127-L130 HydrophobicContact CE-CD2 4.07Å; M127-L130 WeakPolarHBondContact O-CB 3.44Å; M127-L130 PolarHBondContact O-N 3.26Å; M127-L130 HydrophobicContact SD-CD2 4.14Å; L130-R133 PolarHBondContact O-N 2.84Å; L130-L134 HydrophobicContact CG-CD1 4.22Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 3.35Å; L130-L149 HydrophobicContact CD2-CD2 4.34Å; L130-L149 HydrophobicContact CG-CD2 4.47Å; L130-A152 HydrophobicContact CD2-CB 3.33Å
131E94.6Very high90.9Very high63 Ų6360 Ų6029%0.29430%0.303SS..Hα-helixtrans-58.9-48.8177.5177.9172.5-176.800111.5M127 S128 R133 L134 R135 L149M127-E131 PolarHBondContact O-N 3.01Å; S128-E131 PolarHBondContact O-N 3.16Å; E131-R133 VanDerWaalsContact C-N 3.34Å; E131-R133 PolarHBondContact O-N 3.31Å; E131-L134 PolarHBondContact O-N 2.83Å; E131-L134 VanDerWaalsContact O-N 3.1Å; E131-R135 HydrophobicContact CG-CG 4.37Å; E131-R135 WeakPolarHBondContact O-CG 3.48Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE1-CZ 2.8Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 2.75Å; E131-R135 PolarHBondContact OE1-NE 2.89Å; E131-R135 IonicContact OE1-NH2 3.7Å; E131-R135 PolarHBondContact OE1-NH2 3.41Å; E131-L149 HydrophobicContact CB-CD1 4.06Å; E131-L149 HydrophobicContact CB-CD2 3.79Å; E131-L149 HydrophobicContact CG-CD1 3.85Å; E131-L149 HydrophobicContact CG-CD2 4.45Å
132K93.8Very high90.5Very high128 Ų12864.5 Ų64.556%0.55732%0.324SS*.Hα-helixtrans-53.8-51.2175.9-175.6-180177.1-177.30111.2S128 I129 L134 R135 D136S128-K132 WeakPolarHBondContact O-CB 3.47Å; S128-K132 PolarHBondContact O-N 3.02Å; I129-K132 PolarHBondContact O-N 2.84Å; K132-L134 VanDerWaalsContact C-N 3.26Å; K132-L134 PolarHBondContact O-N 3.32Å; K132-R135 PolarHBondContact O-N 3.43Å; K132-D136 WeakPolarHBondContact O-CB 3.21Å; K132-D136 PolarHBondContact O-N 3.4Å
133R91.6Very high90.1Very high63 Ų6370.6 Ų70.624%0.23835%0.352CS..Hα-helixtrans-60.6-31.6178.6-72.8173.4-179.1177.43113.5G14 I129 L130 E131 R137 N171G14-R133 WeakPolarHBondContact O-CD 3.44Å; I129-R133 HydrophobicContact CG2-CG 4.45Å; I129-R133 WeakPolarHBondContact O-CB 3.43Å; I129-R133 VanDerWaalsContact O-CG 3.28Å; I129-R133 WeakPolarHBondContact O-CG 3.48Å; I129-R133 PolarHBondContact O-N 3.38Å; L130-R133 PolarHBondContact O-N 2.84Å; E131-R133 VanDerWaalsContact C-N 3.34Å; E131-R133 PolarHBondContact O-N 3.31Å; R133-R137 WeakPolarHBondContact O-CG 3.48Å; R133-N171 PolarHBondContact NH1-O 2.73Å; R133-N171 PolarHBondContact NH2-O 2.84Å
134L89.3Confident89.4Confident2 Ų270.1 Ų70.11%0.0135%0.352CS..Hα-helixtrans-76.6-41.1177.2-73.9172.1000111.7L130 E131 K132 R137 L145 R148 L149L130-L134 HydrophobicContact CG-CD1 4.22Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 3.35Å; E131-L134 PolarHBondContact O-N 2.83Å; E131-L134 VanDerWaalsContact O-N 3.1Å; K132-L134 VanDerWaalsContact C-N 3.26Å; K132-L134 PolarHBondContact O-N 3.32Å; L134-R137 PolarHBondContact O-N 3.31Å; L134-L145 HydrophobicContact CB-CD1 3.39Å; L134-L145 HydrophobicContact CD1-CD1 3.87Å; L134-L145 HydrophobicContact CG-CD1 4.25Å; L134-R148 HydrophobicContact CD1-CB 4.23Å; L134-L149 HydrophobicContact CD1-CD2 4.02Å; L134-L149 HydrophobicContact CD1-CG 4.49Å
135R91.6Very high89.2Confident103 Ų10370.4 Ų70.439%0.38935%0.354SS..Hα-helixtrans-63.8-44.2175.5-70.5-177-179.6-71.3-3.6111.7E131 K132 R137 E138 E142 L145E131-R135 HydrophobicContact CG-CG 4.37Å; E131-R135 WeakPolarHBondContact O-CG 3.48Å; E131-R135 PolarHBondContact O-N 2.96Å; E131-R135 IonicContact OE1-CZ 2.8Å; E131-R135 VanDerWaalsContact OE1-CZ 3.28Å; E131-R135 IonicContact OE1-NE 2.75Å; E131-R135 PolarHBondContact OE1-NE 2.89Å; E131-R135 IonicContact OE1-NH2 3.7Å; E131-R135 PolarHBondContact OE1-NH2 3.41Å; K132-R135 PolarHBondContact O-N 3.43Å; R135-R137 PolarHBondContact O-N 3.19Å; R135-E138 PolarHBondContact O-N 3.34Å; R135-E142 IonicContact CZ-OE1 3.28Å; R135-E142 IonicContact CZ-OE2 3.68Å; R135-E142 IonicContact NH1-OE1 2.88Å; R135-E142 IonicContact NH1-OE2 3.67Å; R135-E142 PolarHBondContact NH1-OE2 2.83Å; R135-E142 IonicContact NH2-OE1 2.8Å; R135-E142 PolarHBondContact NH2-OE1 2.96Å; R135-E142 IonicContact NH2-OE2 2.84Å; R135-E142 PolarHBondContact NH2-OE2 3.5Å; R135-L145 HydrophobicContact CG-CD2 3.6Å; R135-L145 VanDerWaalsContact NH1-CD2 3.33Å
136D89.6Confident89Confident110 Ų11073 Ų7359%0.58836%0.362SS*.THydrogen-bonded Turntrans-61.1-15.3179.4-66.9-12.7000113.5K132K132-D136 WeakPolarHBondContact O-CB 3.21Å; K132-D136 PolarHBondContact O-N 3.4Å
137R82.8Confident88.6Confident108 Ų10876.6 Ų76.641%0.40837%0.373SS..THydrogen-bonded Turntrans-82.6-12.8176.5-70.5170.1-178.1-154.3-7.8113.7R133 L134 R135 T139R133-R137 WeakPolarHBondContact O-CG 3.48Å; L134-R137 PolarHBondContact O-N 3.31Å; R135-R137 PolarHBondContact O-N 3.19Å; R137-T139 WeakPolarHBondContact CB-OG1 3.48Å; R137-T139 VanDerWaalsContact O-CG2 3.25Å; R137-T139 WeakPolarHBondContact O-CG2 3.45Å; R137-T139 PolarHBondContact O-N 3.18Å; R137-T139 PolarHBondContact O-OG1 3.25Å; R137-T139 VanDerWaalsContact O-OG1 3.12Å
138E82.5Confident88.3Confident180 Ų18075.8 Ų75.884%0.84137%0.368SS*.  trans48.229.9175.9-58.5-174.3158.500115R135R135-E138 PolarHBondContact O-N 3.34Å
139T76.6Confident88.1Confident83 Ų8372.4 Ų72.451%0.50934%0.343SS..  trans-118.8-0.3-172.837.90000113.2R137R137-T139 WeakPolarHBondContact CB-OG1 3.48Å; R137-T139 VanDerWaalsContact O-CG2 3.25Å; R137-T139 WeakPolarHBondContact O-CG2 3.45Å; R137-T139 PolarHBondContact O-N 3.18Å; R137-T139 PolarHBondContact O-OG1 3.25Å; R137-T139 VanDerWaalsContact O-OG1 3.12Å
140E76.5Confident88Confident47 Ų4775.3 Ų75.322%0.2236%0.355CS..SBendtrans-125.2140.6-173-55.3-69.1158.900109.7R44 S144 R148R44-E140 IonicContact NH2-OE1 3.51Å; R44-E140 PolarHBondContact NH2-OE1 2.77Å; E140-S144 WeakPolarHBondContact OE2-CB 3.3Å; E140-S144 PolarHBondContact OE2-OG 3.23Å; E140-R148 IonicContact OE1-CZ 3.47Å; E140-R148 VanDerWaalsContact OE1-CZ 3.29Å; E140-R148 IonicContact OE1-NE 3.42Å; E140-R148 PolarHBondContact OE1-NE 3.27Å; E140-R148 IonicContact OE1-NH2 3.22Å; E140-R148 PolarHBondContact OE1-NH2 3Å; E140-R148 IonicContact OE2-CZ 2.65Å; E140-R148 IonicContact OE2-NE 2.78Å; E140-R148 PolarHBondContact OE2-NE 3.44Å; E140-R148 IonicContact OE2-NH2 3.29Å; E140-R148 PolarHBondContact OE2-NH2 3.44Å
141S86.2Confident87.7Confident73 Ų7376.8 Ų76.851%0.5137%0.367SS..  trans-72.6161.1165.965.80000110.5E143 S144 L145S141-E143 PolarHBondContact O-N 2.8Å; S141-S144 PolarHBondContact O-N 2.99Å; S141-S144 VanDerWaalsContact O-N 3.11Å; S141-S144 PolarHBondContact OG-N 3.35Å; S141-L145 WeakPolarHBondContact O-CB 3.19Å; S141-L145 PolarHBondContact O-N 3.15Å
142E89.9Confident87.6Confident94 Ų9473.8 Ų73.844%0.43935%0.354SS..Hα-helixtrans-57.2-39.2177.1-169.360.5-14600111.7R135 L145 Q146R135-E142 IonicContact CZ-OE1 3.28Å; R135-E142 IonicContact CZ-OE2 3.68Å; R135-E142 IonicContact NH1-OE1 2.88Å; R135-E142 IonicContact NH1-OE2 3.67Å; R135-E142 PolarHBondContact NH1-OE2 2.83Å; R135-E142 IonicContact NH2-OE1 2.8Å; R135-E142 PolarHBondContact NH2-OE1 2.96Å; R135-E142 IonicContact NH2-OE2 2.84Å; R135-E142 PolarHBondContact NH2-OE2 3.5Å; E142-L145 WeakPolarHBondContact O-CB 3.43Å; E142-L145 PolarHBondContact O-N 2.95Å; E142-Q146 WeakPolarHBondContact O-CG 3.33Å; E142-Q146 PolarHBondContact O-N 3.05Å; E142-Q146 PolarHBondContact OE1-NE2 3.48Å
143E87.8Confident87.6Confident128 Ų12872.7 Ų72.760%0.59835%0.35SS*.Hα-helixtrans-62.5-45.2176.1-168.4-165.4158.100112.2S141 L145 Q146 K147S141-E143 PolarHBondContact O-N 2.8Å; E143-L145 VanDerWaalsContact C-N 3.33Å; E143-Q146 PolarHBondContact O-N 3.06Å; E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.81Å; E143-K147 VanDerWaalsContact O-N 3.15Å; E143-K147 WeakPolarHBondContact OE1-CE 3.33Å; E143-K147 IonicContact OE1-NZ 3.83Å; E143-K147 PolarHBondContact OE1-NZ 2.9Å
144S82.6Confident87.6Confident24 Ų2472.7 Ų72.717%0.16836%0.357CS..Hα-helixtrans-64.7-40177-173.30000111.3E140 S141 K147 R148E140-S144 WeakPolarHBondContact OE2-CB 3.3Å; E140-S144 PolarHBondContact OE2-OG 3.23Å; S141-S144 PolarHBondContact O-N 2.99Å; S141-S144 VanDerWaalsContact O-N 3.11Å; S141-S144 PolarHBondContact OG-N 3.35Å; S144-K147 PolarHBondContact O-N 2.74Å; S144-R148 WeakPolarHBondContact O-CG 3.47Å; S144-R148 PolarHBondContact O-N 2.65Å
145L88.8Confident87.7Confident5 Ų573.8 Ų73.83%0.02636%0.363CS..Hα-helixtrans-60-50.1177178.467.1000111.5L134 R135 S141 E142 E143 K147 R148 L149L134-L145 HydrophobicContact CB-CD1 3.39Å; L134-L145 HydrophobicContact CD1-CD1 3.87Å; L134-L145 HydrophobicContact CG-CD1 4.25Å; R135-L145 HydrophobicContact CG-CD2 3.6Å; R135-L145 VanDerWaalsContact NH1-CD2 3.33Å; S141-L145 WeakPolarHBondContact O-CB 3.19Å; S141-L145 PolarHBondContact O-N 3.15Å; E142-L145 WeakPolarHBondContact O-CB 3.43Å; E142-L145 PolarHBondContact O-N 2.95Å; E143-L145 VanDerWaalsContact C-N 3.33Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.41Å; L145-R148 WeakPolarHBondContact O-CB 3.41Å; L145-R148 PolarHBondContact O-N 3.22Å; L145-R148 VanDerWaalsContact O-N 3.13Å; L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CD1-CG 4.38Å; L145-L149 HydrophobicContact CG-CD1 4.09Å; L145-L149 HydrophobicContact CG-CG 4.5Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å
146Q90.8Very high87.6Confident93 Ų9370.2 Ų70.244%0.43535%0.351SS..Hα-helixtrans-61.9-40179.4-66.8-55.6-37.200111.9E142 E143 R148 L149 H150E142-Q146 WeakPolarHBondContact O-CG 3.33Å; E142-Q146 PolarHBondContact O-N 3.05Å; E142-Q146 PolarHBondContact OE1-NE2 3.48Å; E143-Q146 PolarHBondContact O-N 3.06Å; Q146-R148 VanDerWaalsContact C-N 3.34Å; Q146-R148 PolarHBondContact O-N 2.8Å; Q146-L149 PolarHBondContact O-N 2.76Å; Q146-H150 WeakPolarHBondContact O-CB 3.45Å; Q146-H150 PolarHBondContact O-N 2.98Å
147K87.6Confident87.8Confident113 Ų11369.6 Ų69.649%0.49135%0.351SS..Hα-helixtrans-59.7-43.2173.4-72.9175.5-173.9169.90112E143 S144 L145 A151E143-K147 WeakPolarHBondContact O-CG 3.36Å; E143-K147 PolarHBondContact O-N 2.81Å; E143-K147 VanDerWaalsContact O-N 3.15Å; E143-K147 WeakPolarHBondContact OE1-CE 3.33Å; E143-K147 IonicContact OE1-NZ 3.83Å; E143-K147 PolarHBondContact OE1-NZ 2.9Å; S144-K147 PolarHBondContact O-N 2.74Å; L145-K147 VanDerWaalsContact C-N 3.33Å; L145-K147 PolarHBondContact O-N 3.41Å; K147-A151 WeakPolarHBondContact O-CB 3.39Å; K147-A151 PolarHBondContact O-N 2.66Å
148R87.1Confident88.1Confident32 Ų3265.4 Ų65.412%0.12134%0.337CS..Hα-helixtrans-66.1-40.9177.3-72.1174.6-178.3-77.98.5112.6S13 F76 L134 E140 S144 L145 Q146 A151 A152S13-R148 PolarHBondContact OG-NH1 3.13Å; F76-R148 HydrophobicContact CZ-CG 4.16Å; L134-R148 HydrophobicContact CD1-CB 4.23Å; E140-R148 IonicContact OE1-CZ 3.47Å; E140-R148 VanDerWaalsContact OE1-CZ 3.29Å; E140-R148 IonicContact OE1-NE 3.42Å; E140-R148 PolarHBondContact OE1-NE 3.27Å; E140-R148 IonicContact OE1-NH2 3.22Å; E140-R148 PolarHBondContact OE1-NH2 3Å; E140-R148 IonicContact OE2-CZ 2.65Å; E140-R148 IonicContact OE2-NE 2.78Å; E140-R148 PolarHBondContact OE2-NE 3.44Å; E140-R148 IonicContact OE2-NH2 3.29Å; E140-R148 PolarHBondContact OE2-NH2 3.44Å; S144-R148 WeakPolarHBondContact O-CG 3.47Å; S144-R148 PolarHBondContact O-N 2.65Å; L145-R148 WeakPolarHBondContact O-CB 3.41Å; L145-R148 PolarHBondContact O-N 3.22Å; L145-R148 VanDerWaalsContact O-N 3.13Å; Q146-R148 VanDerWaalsContact C-N 3.34Å; Q146-R148 PolarHBondContact O-N 2.8Å; R148-A151 PolarHBondContact O-N 2.85Å; R148-A152 WeakPolarHBondContact O-CB 3.33Å; R148-A152 PolarHBondContact O-N 3.48Å
149L92.1Very high88.5Confident10 Ų1057.1 Ų57.15%0.05230%0.299CS..Hα-helixtrans-66.3-41.4177.6-69.8173.5000111.7M127 L130 E131 L134 L145 Q146 A152 Q153M127-L149 HydrophobicContact CE-CB 4.21Å; M127-L149 HydrophobicContact CE-CD2 3.82Å; M127-L149 WeakPolarHBondContact CE-O 3.24Å; L130-L149 HydrophobicContact CD2-CD2 4.34Å; L130-L149 HydrophobicContact CG-CD2 4.47Å; E131-L149 HydrophobicContact CB-CD1 4.06Å; E131-L149 HydrophobicContact CB-CD2 3.79Å; E131-L149 HydrophobicContact CG-CD1 3.85Å; E131-L149 HydrophobicContact CG-CD2 4.45Å; L134-L149 HydrophobicContact CD1-CD2 4.02Å; L134-L149 HydrophobicContact CD1-CG 4.49Å; L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CD1-CG 4.38Å; L145-L149 HydrophobicContact CG-CD1 4.09Å; L145-L149 HydrophobicContact CG-CG 4.5Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å; Q146-L149 PolarHBondContact O-N 2.76Å; L149-A152 WeakPolarHBondContact O-CB 3.28Å; L149-A152 PolarHBondContact O-N 3.15Å; L149-Q153 WeakPolarHBondContact O-CG 3.46Å; L149-Q153 PolarHBondContact O-N 3Å
150H91.6Very high89.1Confident123 Ų12360.7 Ų60.757%0.56931%0.307SS*.Hα-helixtrans-62.8-47.7174.8-176.464.8000111.7Q146 A152 Q153 V154Q146-H150 WeakPolarHBondContact O-CB 3.45Å; Q146-H150 PolarHBondContact O-N 2.98Å; H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 3.34Å; H150-Q153 PolarHBondContact O-N 3.44Å; H150-V154 PolarHBondContact O-N 3.09Å
151A88.5Confident89.9Confident30 Ų3062.1 Ų62.125%0.24832%0.316CS..Hα-helixtrans-57.2-42.1174.700000111.6K147 R148 Q153 V154 D155K147-A151 WeakPolarHBondContact O-CB 3.39Å; K147-A151 PolarHBondContact O-N 2.66Å; R148-A151 PolarHBondContact O-N 2.85Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 3.2Å; A151-V154 PolarHBondContact O-N 2.9Å; A151-D155 VanDerWaalsContact O-CG 3.31Å; A151-D155 PolarHBondContact O-N 3.33Å
152A92.4Very high90.1Very high1 Ų164.9 Ų64.91%0.00833%0.332CS..Hα-helixtrans-62.7-37.8178.300000113.6P12 M127 L130 R148 L149 H150 V154 D155 M156P12-A152 HydrophobicContact CB-CB 3.38Å; P12-A152 HydrophobicContact CG-CB 4.11Å; M127-A152 HydrophobicContact CE-CB 4.13Å; M127-A152 HydrophobicContact SD-CB 4.28Å; L130-A152 HydrophobicContact CD2-CB 3.33Å; R148-A152 WeakPolarHBondContact O-CB 3.33Å; R148-A152 PolarHBondContact O-N 3.48Å; L149-A152 WeakPolarHBondContact O-CB 3.28Å; L149-A152 PolarHBondContact O-N 3.15Å; H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 3.34Å; A152-V154 VanDerWaalsContact C-N 3.33Å; A152-D155 PolarHBondContact O-N 3.27Å; A152-M156 WeakPolarHBondContact O-CB 3.5Å; A152-M156 WeakPolarHBondContact O-CG 3.33Å; A152-M156 PolarHBondContact O-N 3.39Å
153Q93.1Very high90.1Very high104 Ų10463.3 Ų63.349%0.48634%0.342SS..Hα-helixtrans-61.9-43.7174.9-70.6172.4600111.2M127 L149 H150 A151 M156 V157M127-Q153 HydrophobicContact CE-CG 3.67Å; M127-Q153 HydrophobicContact CG-CG 4.27Å; M127-Q153 HydrophobicContact SD-CG 3.88Å; L149-Q153 WeakPolarHBondContact O-CG 3.46Å; L149-Q153 PolarHBondContact O-N 3Å; H150-Q153 PolarHBondContact O-N 3.44Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 3.2Å; Q153-M156 PolarHBondContact O-N 3.22Å; Q153-V157 WeakPolarHBondContact O-CG2 3.19Å; Q153-V157 PolarHBondContact O-N 3.17Å
154V91.9Very high90.4Very high64 Ų6458.7 Ų58.739%0.38832%0.321SS..Hα-helixtrans-63.7-47.3177.2176.40000110.5H150 A151 A152 M156 V157 I158H150-V154 PolarHBondContact O-N 3.09Å; A151-V154 PolarHBondContact O-N 2.9Å; A152-V154 VanDerWaalsContact C-N 3.33Å; V154-M156 VanDerWaalsContact C-N 3.31Å; V154-M156 PolarHBondContact O-N 3.44Å; V154-V157 PolarHBondContact O-N 2.99Å; V154-V157 VanDerWaalsContact O-N 3.11Å; V154-I158 HydrophobicContact CG1-CD1 3.68Å; V154-I158 HydrophobicContact CG1-CG1 4.45Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 3.33Å
155D91.6Very high91.1Very high25 Ų2558.6 Ų58.613%0.13432%0.317CS..Hα-helixtrans-59-40.5178.4-70.9-17.1000112.2M104 F121 A151 A152 V157 I158 S159M104-D155 WeakPolarHBondContact CB-OD1 3.34Å; M104-D155 HydrophobicContact CE-CB 4.29Å; F121-D155 HydrophobicContact CE2-CB 4.31Å; F121-D155 HydrophobicContact CZ-CB 4.17Å; A151-D155 VanDerWaalsContact O-CG 3.31Å; A151-D155 PolarHBondContact O-N 3.33Å; A152-D155 PolarHBondContact O-N 3.27Å; D155-V157 VanDerWaalsContact C-N 3.29Å; D155-V157 PolarHBondContact O-N 3.11Å; D155-I158 PolarHBondContact O-N 3.31Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.06Å; D155-S159 PolarHBondContact O-OG 3.36Å
156M90.4Very high91.4Very high28 Ų2862.6 Ų62.614%0.13834%0.339CS..Hα-helixtrans-68.5-24.1178.1-73.4178.810300113.8Q123 P124 M127 A152 Q153 V154 S159 K160Q123-M156 HydrophobicContact CG-CE 3.54Å; Q123-M156 HydrophobicContact CG-CG 4.48Å; P124-M156 HydrophobicContact CG-CE 3.95Å; P124-M156 HydrophobicContact CG-SD 4.39Å; M127-M156 HydrophobicContact CG-SD 4.16Å; M127-M156 HydrophobicContact SD-SD 3.48Å; A152-M156 WeakPolarHBondContact O-CB 3.5Å; A152-M156 WeakPolarHBondContact O-CG 3.33Å; A152-M156 PolarHBondContact O-N 3.39Å; Q153-M156 PolarHBondContact O-N 3.22Å; V154-M156 VanDerWaalsContact C-N 3.31Å; V154-M156 PolarHBondContact O-N 3.44Å; M156-S159 PolarHBondContact O-OG 3.09Å; M156-S159 VanDerWaalsContact O-OG 3.11Å; M156-K160 WeakPolarHBondContact O-CE 3.39Å
157V92.1Very high91.7Very high96 Ų9660.4 Ų60.458%0.58233%0.332SS*.Hα-helixtrans-77.2-51.2172.2173.70000109.1Q153 V154 D155 S159 K160Q153-V157 WeakPolarHBondContact O-CG2 3.19Å; Q153-V157 PolarHBondContact O-N 3.17Å; V154-V157 PolarHBondContact O-N 2.99Å; V154-V157 VanDerWaalsContact O-N 3.11Å; D155-V157 VanDerWaalsContact C-N 3.29Å; D155-V157 PolarHBondContact O-N 3.11Å; V157-S159 PolarHBondContact O-N 3.09Å; V157-K160 WeakPolarHBondContact O-CB 3.17Å; V157-K160 PolarHBondContact O-N 2.94Å
158I90Very high92.2Very high21 Ų2158 Ų5811%0.10833%0.326CS..Hα-helixtrans-61-34.6-179.4-62.8163.9000111.4M104 V154 D155 K160 D161M104-I158 HydrophobicContact CE-CB 4Å; M104-I158 HydrophobicContact CE-CG2 3.84Å; M104-I158 HydrophobicContact CG-CB 4.39Å; M104-I158 HydrophobicContact CG-CD1 3.99Å; M104-I158 HydrophobicContact CG-CG2 3.89Å; M104-I158 HydrophobicContact SD-CB 4.3Å; M104-I158 HydrophobicContact SD-CG2 3.53Å; M104-I158 VanDerWaalsContact SD-CG2 3.53Å; V154-I158 HydrophobicContact CG1-CD1 3.68Å; V154-I158 HydrophobicContact CG1-CG1 4.45Å; V154-I158 WeakPolarHBondContact O-CG1 3.3Å; V154-I158 PolarHBondContact O-N 3.33Å; D155-I158 PolarHBondContact O-N 3.31Å; I158-K160 PolarHBondContact O-N 2.91Å; I158-D161 VanDerWaalsContact O-CB 3.31Å; I158-D161 WeakPolarHBondContact O-CB 3.06Å; I158-D161 PolarHBondContact O-N 3.48Å
159S91.1Very high92.7Very high6 Ų656.6 Ų56.64%0.04232%0.321CS..THydrogen-bonded Turntrans-62.7-14.7179.2710000114.1F121 D155 M156 V157F121-S159 VanDerWaalsContact CD1-CB 3.43Å; F121-S159 WeakPolarHBondContact CE1-OG 3.48Å; D155-S159 WeakPolarHBondContact O-CB 3.44Å; D155-S159 PolarHBondContact O-N 3.06Å; D155-S159 PolarHBondContact O-OG 3.36Å; M156-S159 PolarHBondContact O-OG 3.09Å; M156-S159 VanDerWaalsContact O-OG 3.11Å; V157-S159 PolarHBondContact O-N 3.09Å
160K90.1Very high92.9Very high158 Ų15858.9 Ų58.969%0.68734%0.336SS*.THydrogen-bonded Turntrans-91.2-9.5176.5-60.3175.7-175.6177.50112.8M156 V157 I158M156-K160 WeakPolarHBondContact O-CE 3.39Å; V157-K160 WeakPolarHBondContact O-CB 3.17Å; V157-K160 PolarHBondContact O-N 2.94Å; I158-K160 PolarHBondContact O-N 2.91Å
161D92.7Very high93.2Very high77 Ų7753.4 Ų53.441%0.41231%0.31SS..SBendtrans-65.8127.8178.7-68.8-13.7000109.7I158 G163 I164I158-D161 VanDerWaalsContact O-CB 3.31Å; I158-D161 WeakPolarHBondContact O-CB 3.06Å; I158-D161 PolarHBondContact O-N 3.48Å; D161-G163 PolarHBondContact O-N 3.24Å; D161-I164 HydrophobicContact CB-CG1 3.66Å; D161-I164 PolarHBondContact O-N 2.8Å
162P90.1Very high93.4Very high130 Ų13057.6 Ų57.684%0.84433%0.329SS*.THydrogen-bonded Turntrans-56.2132.3-179.7-26.434.6000112.4I164P162-I164 VanDerWaalsContact C-N 3.31Å; P162-I164 PolarHBondContact O-N 2.9Å
163G89.6Confident93.6Very high62 Ų6259.8 Ų59.864%0.63934%0.344SS*.THydrogen-bonded Turntrans81.1-0.1176.100000115.6K111 D161K111-G163 PolarHBondContact NZ-O 2.97Å; D161-G163 PolarHBondContact O-N 3.24Å
164I93.8Very high93.6Very high30 Ų3058 Ų5815%0.15434%0.337CS..THydrogen-bonded Turntrans-74.4-49.2172.3-62.3-62.9000111M104 V107 K111 D161 P162M104-I164 HydrophobicContact SD-CG2 4.24Å; V107-I164 HydrophobicContact CG1-CG2 4.16Å; K111-I164 WeakPolarHBondContact CE-O 3.21Å; K111-I164 PolarHBondContact NZ-O 3.42Å; D161-I164 HydrophobicContact CB-CG1 3.66Å; D161-I164 PolarHBondContact O-N 2.8Å; P162-I164 VanDerWaalsContact C-N 3.31Å; P162-I164 PolarHBondContact O-N 2.9Å
165F96.9Very high93.8Very high22 Ų2259.8 Ų59.810%0.09634%0.344CS..  trans-118.6143.4177.4-64.6-78.5000110.9M104 V107 F121 V167M104-F165 HydrophobicContact CE-CE2 3.56Å; M104-F165 HydrophobicContact CE-CZ 3.72Å; M104-F165 HydrophobicContact SD-CE2 3.95Å; M104-F165 HydrophobicContact SD-CZ 3.87Å; V107-F165 HydrophobicContact CG1-CE1 4.09Å; V107-F165 HydrophobicContact CG1-CZ 4.07Å; V107-F165 HydrophobicContact CG2-CE1 3.89Å; V107-F165 HydrophobicContact CG2-CZ 3.99Å; F121-F165 HydrophobicContact CB-CB 4.31Å; F121-F165 HydrophobicContact CB-CD1 3.71Å; F121-F165 HydrophobicContact CB-CD2 3.71Å; F121-F165 HydrophobicContact CB-CE1 3.92Å; F121-F165 HydrophobicContact CB-CE2 3.9Å; F121-F165 HydrophobicContact CB-CG 3.63Å; F121-F165 HydrophobicContact CB-CZ 4.02Å; F121-F165 HydrophobicContact CD2-CD2 4.21Å; F121-F165 HydrophobicContact CD2-CE1 4.05Å; F121-F165 AromaticContact CD2-CE2 3.53Å; F121-F165 HydrophobicContact CD2-CE2 3.53Å; F121-F165 AromaticContact CD2-CZ 3.46Å; F121-F165 HydrophobicContact CD2-CZ 3.46Å; F121-F165 VanDerWaalsContact CD2-CZ 3.46Å; F121-F165 HydrophobicContact CE2-CE2 4.28Å; F121-F165 HydrophobicContact CE2-CZ 4.31Å; F121-F165 HydrophobicContact CG-CD2 4.18Å; F121-F165 HydrophobicContact CG-CE1 4.49Å; F121-F165 AromaticContact CG-CE2 3.96Å; F121-F165 HydrophobicContact CG-CE2 3.96Å; F121-F165 HydrophobicContact CG-CZ 4.15Å; F165-V167 VanDerWaalsContact C-N 3.35Å
166D96.9Very high94.1Very high90 Ų9063.6 Ų63.648%0.48137%0.365SS..SBendtrans-72.2-35.9171.3-61.9-58.6000109.9R5 I118 Y119R5-D166 IonicContact NH2-OD2 3.96Å; I118-D166 WeakPolarHBondContact CA-OD2 3.43Å; I118-D166 HydrophobicContact CG2-CB 4.4Å; Y119-D166 PolarHBondContact N-OD2 3.47Å; Y119-D166 WeakPolarHBondContact O-CB 3.4Å; Y119-D166 PolarHBondContact O-N 2.57Å
167V96.4Very high94.4Very high47 Ų4762.3 Ų62.329%0.28536%0.359SS..EExtended strand (participates in β ladder)trans-142.8140.2179.9-177.20000111.4Y119 I120 F121 F165 I169 T184Y119-V167 PolarHBondContact O-N 2.75Å; I120-V167 WeakPolarHBondContact CA-O 3.32Å; F121-V167 PolarHBondContact N-O 2.79Å; F165-V167 VanDerWaalsContact C-N 3.35Å; V167-I169 HydrophobicContact CG1-CD1 4.4Å; V167-I169 HydrophobicContact CG1-CG1 3.75Å; V167-T184 HydrophobicContact CB-CG2 4.31Å; V167-T184 HydrophobicContact CG2-CG2 3.67Å
168V96.8Very high94.7Very high63 Ų6358.1 Ų58.138%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-110.5121.7166.81790000109.2F121 Q123F121-V168 HydrophobicContact CB-CG2 4.24Å; F121-V168 HydrophobicContact CD1-CG1 4.14Å; F121-V168 CarbonylContact O-C 3.48Å; F121-V168 WeakPolarHBondContact O-CA 3.49Å; Q123-V168 HydrophobicContact CB-CG1 4.14Å
169I97.8Very high95.1Very high1 Ų158.2 Ų58.21%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-111.6115.1-179.6-55.3-179.6000109.2I120 F121 I122 Q123 V167 N171 A177 K180 L181I120-I169 HydrophobicContact CG2-CD1 3.61Å; I120-I169 HydrophobicContact CG2-CG1 3.96Å; F121-I169 PolarHBondContact O-N 2.94Å; I122-I169 WeakPolarHBondContact CA-O 3.14Å; I122-I169 HydrophobicContact CD1-CB 3.98Å; I122-I169 HydrophobicContact CD1-CD1 4.23Å; I122-I169 HydrophobicContact CD1-CG1 4.47Å; Q123-I169 PolarHBondContact N-O 3.31Å; V167-I169 HydrophobicContact CG1-CD1 4.4Å; V167-I169 HydrophobicContact CG1-CG1 3.75Å; I169-N171 PolarHBondContact O-N 3.47Å; I169-A177 HydrophobicContact CG2-CB 3.82Å; I169-K180 HydrophobicContact CD1-CB 4.2Å; I169-K180 HydrophobicContact CG1-CB 4.39Å; I169-K180 HydrophobicContact CG2-CB 4.18Å; I169-K180 HydrophobicContact CG2-CD 4.39Å; I169-L181 HydrophobicContact CD1-CB 3.93Å; I169-L181 HydrophobicContact CD1-CD1 4.28Å
170V97.3Very high95.5Very high59 Ų5963.3 Ų63.336%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-79.3119.3172.6-175.70000109.8Q123 D172Q123-V170 HydrophobicContact CB-CG2 4.47Å; Q123-V170 CarbonylContact O-C 3.58Å; Q123-V170 WeakPolarHBondContact O-CA 3.27Å; V170-D172 HydrophobicContact CG1-CB 4.47Å; V170-D172 PolarHBondContact O-N 3.4Å
171N96.9Very high95.8Very high8 Ų855.8 Ų55.84%0.04333%0.328CS..  trans-94.369.6-179.7-172.519000112.3A15 I122 Q123 P125 R133 I169 A177A15-N171 PolarHBondContact O-ND2 3.38Å; I122-N171 HydrophobicContact CG2-CB 3.96Å; Q123-N171 PolarHBondContact O-N 2.91Å; P125-N171 WeakPolarHBondContact CD-O 3.44Å; P125-N171 WeakPolarHBondContact CG-O 3.31Å; R133-N171 PolarHBondContact NH1-O 2.73Å; R133-N171 PolarHBondContact NH2-O 2.84Å; I169-N171 PolarHBondContact O-N 3.47Å; N171-A177 HydrophobicContact CB-CB 4.11Å
172D94.4Very high96Very high118 Ų11854.4 Ų54.463%0.63132%0.318SS*.SBendtrans-88-59.4173-164.325.3000111.4P125 V170P125-D172 HydrophobicContact CB-CB 4.13Å; P125-D172 HydrophobicContact CG-CB 3.62Å; P125-D172 VanDerWaalsContact CG-OD1 3.27Å; P125-D172 WeakPolarHBondContact CG-OD1 3.39Å; V170-D172 HydrophobicContact CG1-CB 4.47Å; V170-D172 PolarHBondContact O-N 3.4Å
173S94.9Very high96.4Very high46 Ų4653.8 Ų53.832%0.32231%0.307SS..SBendtrans-96.5128165167.70000109.6D175 D176 A177S173-D175 VanDerWaalsContact C-N 3.28Å; S173-D175 PolarHBondContact O-N 3.36Å; S173-D176 VanDerWaalsContact CB-OD2 3.24Å; S173-D176 WeakPolarHBondContact CB-OD2 3.4Å; S173-D176 PolarHBondContact O-N 3.31Å; S173-D176 PolarHBondContact OG-N 3Å; S173-D176 PolarHBondContact OG-OD2 3.43Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.42Å
174L93.9Very high96.8Very high68 Ų6852.8 Ų52.836%0.35629%0.289SS..Hα-helixtrans-60.2-40.7178.9178.363.4000111.4T19 L20 Y178T19-L174 HydrophobicContact CG2-CD1 3.83Å; T19-L174 HydrophobicContact CG2-CD2 3.96Å; L20-L174 HydrophobicContact CD2-CD1 3.74Å; L20-L174 HydrophobicContact CG-CD1 4.29Å; L174-Y178 WeakPolarHBondContact O-CB 3.47Å; L174-Y178 PolarHBondContact O-N 2.76Å
175D96.2Very high96.9Very high100 Ų10051.4 Ų51.454%0.53528%0.282SS..Hα-helixtrans-72.5-38.1-177.1-71.2-39.4000111.9K23 S173 Y178 G179K23-D175 IonicContact NZ-OD1 2.72Å; K23-D175 PolarHBondContact NZ-OD1 3.37Å; S173-D175 VanDerWaalsContact C-N 3.28Å; S173-D175 PolarHBondContact O-N 3.36Å; D175-Y178 PolarHBondContact O-N 3.18Å; D175-G179 PolarHBondContact O-N 3.11Å
176D97.5Very high96.9Very high106 Ų10652.8 Ų52.857%0.56729%0.29SS*.Hα-helixtrans-68-43.6176.6-62.8-20.9000111.4S173 Y178 G179 K180S173-D176 VanDerWaalsContact CB-OD2 3.24Å; S173-D176 WeakPolarHBondContact CB-OD2 3.4Å; S173-D176 PolarHBondContact O-N 3.31Å; S173-D176 PolarHBondContact OG-N 3Å; S173-D176 PolarHBondContact OG-OD2 3.43Å; D176-Y178 VanDerWaalsContact C-N 3.3Å; D176-Y178 PolarHBondContact O-N 3.05Å; D176-G179 PolarHBondContact O-N 2.61Å; D176-K180 WeakPolarHBondContact O-CG 3.42Å; D176-K180 PolarHBondContact O-N 2.84Å
177A98.1Very high96.8Very high1 Ų153.5 Ų53.51%0.00829%0.29CS..Hα-helixtrans-63.4-39.8176.700000111.4L20 I169 N171 S173 L181L20-A177 HydrophobicContact CD2-CB 4.25Å; I169-A177 HydrophobicContact CG2-CB 3.82Å; N171-A177 HydrophobicContact CB-CB 4.11Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.42Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.99Å
178Y98.2Very high96.7Very high7 Ų752.3 Ų52.33%0.02728%0.281CS..Hα-helixtrans-68.6-40.3176.3-176.3-110.3000112.6L20 K23 L24 E27 L174 D175 D176 K180 L181 K182L20-Y178 HydrophobicContact CD2-CD2 4.18Å; L20-Y178 HydrophobicContact CD2-CG 4.49Å; K23-Y178 HydrophobicContact CB-CD2 4.12Å; K23-Y178 HydrophobicContact CB-CE2 3.84Å; K23-Y178 HydrophobicContact CD-CD1 3.75Å; K23-Y178 HydrophobicContact CD-CD2 4.05Å; K23-Y178 HydrophobicContact CD-CE1 3.89Å; K23-Y178 HydrophobicContact CD-CE2 4.21Å; K23-Y178 HydrophobicContact CD-CG 3.82Å; K23-Y178 VanDerWaalsContact CE-CD1 3.49Å; K23-Y178 HydrophobicContact CG-CD1 4.23Å; K23-Y178 HydrophobicContact CG-CD2 4.09Å; K23-Y178 HydrophobicContact CG-CE1 3.89Å; K23-Y178 HydrophobicContact CG-CE2 3.77Å; K23-Y178 HydrophobicContact CG-CG 4.3Å; K23-Y178 PolarHBondContact O-OH 3.36Å; L24-Y178 HydrophobicContact CB-CE2 4.03Å; L24-Y178 HydrophobicContact CD1-CE2 4.25Å; E27-Y178 WeakPolarHBondContact CB-OH 3.47Å; E27-Y178 VanDerWaalsContact CD-OH 3.28Å; E27-Y178 WeakPolarHBondContact OE2-CE1 3.08Å; E27-Y178 PolarHBondContact OE2-OH 3.26Å; L174-Y178 WeakPolarHBondContact O-CB 3.47Å; L174-Y178 PolarHBondContact O-N 2.76Å; D175-Y178 PolarHBondContact O-N 3.18Å; D176-Y178 VanDerWaalsContact C-N 3.3Å; D176-Y178 PolarHBondContact O-N 3.05Å; Y178-K180 PolarHBondContact O-N 2.91Å; Y178-L181 HydrophobicContact CD2-CD2 4.46Å; Y178-L181 WeakPolarHBondContact O-CB 3.4Å; Y178-L181 PolarHBondContact O-N 3.24Å; Y178-K182 HydrophobicContact CD1-CD 4.26Å; Y178-K182 HydrophobicContact CD1-CG 4.42Å; Y178-K182 HydrophobicContact CE1-CD 3.54Å; Y178-K182 HydrophobicContact CE1-CG 3.97Å; Y178-K182 HydrophobicContact CE2-CG 4.2Å; Y178-K182 WeakPolarHBondContact O-CG 3.45Å; Y178-K182 PolarHBondContact O-N 3.4Å
179G98Very high96.6Very high23 Ų2349.3 Ų49.324%0.23726%0.263CS..Hα-helixtrans-55.3-51172.300000111.6D175 D176 L181 K182 D183D175-G179 PolarHBondContact O-N 3.11Å; D176-G179 PolarHBondContact O-N 2.61Å; G179-L181 VanDerWaalsContact C-N 3.32Å; G179-L181 PolarHBondContact O-N 3.15Å; G179-K182 PolarHBondContact O-N 3.38Å; G179-K182 VanDerWaalsContact O-N 3.15Å; G179-D183 VanDerWaalsContact O-CG 3.28Å; G179-D183 PolarHBondContact O-N 3.48Å
180K98Very high96.5Very high114 Ų11453.2 Ų53.250%0.49628%0.28SS..Hα-helixtrans-60.2-39.1176.4-70.1174.9-177.6176.60113.1I169 D176 Y178 D183 T184I169-K180 HydrophobicContact CD1-CB 4.2Å; I169-K180 HydrophobicContact CG1-CB 4.39Å; I169-K180 HydrophobicContact CG2-CB 4.18Å; I169-K180 HydrophobicContact CG2-CD 4.39Å; D176-K180 WeakPolarHBondContact O-CG 3.42Å; D176-K180 PolarHBondContact O-N 2.84Å; Y178-K180 PolarHBondContact O-N 2.91Å; K180-D183 PolarHBondContact O-N 2.97Å; K180-T184 WeakPolarHBondContact O-CB 3.27Å; K180-T184 PolarHBondContact O-N 2.91Å; K180-T184 PolarHBondContact O-OG1 2.99Å
181L98.1Very high96.3Very high0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-61.8-46.2176177.761.3000110.7L9 L20 L24 I120 I169 A177 Y178 G179 T184 L185L9-L181 HydrophobicContact CD1-CD1 3.82Å; L20-L181 HydrophobicContact CB-CD2 3.95Å; L24-L181 HydrophobicContact CD2-CD2 4.46Å; I120-L181 HydrophobicContact CD1-CD1 3.64Å; I120-L181 HydrophobicContact CG2-CD1 4.44Å; I169-L181 HydrophobicContact CD1-CB 3.93Å; I169-L181 HydrophobicContact CD1-CD1 4.28Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.99Å; Y178-L181 HydrophobicContact CD2-CD2 4.46Å; Y178-L181 WeakPolarHBondContact O-CB 3.4Å; Y178-L181 PolarHBondContact O-N 3.24Å; G179-L181 VanDerWaalsContact C-N 3.32Å; G179-L181 PolarHBondContact O-N 3.15Å; L181-T184 PolarHBondContact O-N 2.87Å; L181-L185 HydrophobicContact CD1-CD1 3.87Å; L181-L185 HydrophobicContact CD1-CG 4.43Å; L181-L185 HydrophobicContact CG-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CG 3.45Å; L181-L185 PolarHBondContact O-N 3.29Å
182K96.9Very high96.1Very high48 Ų4855.4 Ų55.421%0.20929%0.285CS..Hα-helixtrans-62.5-47176.7-70.3-162.3-66.31770112.1L24 E27 Y28 Y178 G179 T184 L185 I186L24-K182 HydrophobicContact CD1-CG 4.38Å; E27-K182 IonicContact OE1-NZ 2.99Å; E27-K182 PolarHBondContact OE1-NZ 3.47Å; E27-K182 IonicContact OE2-NZ 2.84Å; Y28-K182 HydrophobicContact CE2-CD 3.64Å; Y28-K182 HydrophobicContact CE2-CG 4.07Å; Y178-K182 HydrophobicContact CD1-CD 4.26Å; Y178-K182 HydrophobicContact CD1-CG 4.42Å; Y178-K182 HydrophobicContact CE1-CD 3.54Å; Y178-K182 HydrophobicContact CE1-CG 3.97Å; Y178-K182 HydrophobicContact CE2-CG 4.2Å; Y178-K182 WeakPolarHBondContact O-CG 3.45Å; Y178-K182 PolarHBondContact O-N 3.4Å; G179-K182 PolarHBondContact O-N 3.38Å; G179-K182 VanDerWaalsContact O-N 3.15Å; K182-T184 PolarHBondContact O-N 3.32Å; K182-L185 CarbonylContact O-C 3.58Å; K182-L185 PolarHBondContact O-N 2.9Å; K182-I186 PolarHBondContact O-N 3.02Å
183D97.5Very high96Very high117 Ų11753.6 Ų53.663%0.62627%0.272SS*.Hα-helixtrans-60.5-37.4-179.8-68-17.9000111.5G179 K180 L185 I186G179-D183 VanDerWaalsContact O-CG 3.28Å; G179-D183 PolarHBondContact O-N 3.48Å; K180-D183 PolarHBondContact O-N 2.97Å; D183-L185 VanDerWaalsContact C-N 3.27Å; D183-L185 PolarHBondContact O-N 3.5Å; D183-I186 VanDerWaalsContact O-CG2 3.24Å; D183-I186 WeakPolarHBondContact O-CG2 3.34Å
184T97.4Very high95.7Very high41 Ų4158.5 Ų58.525%0.25229%0.288SS..Hα-helixtrans-63.7-33.8175.2-57.10000112.2I118 I120 V167 K180 L181 K182I118-T184 HydrophobicContact CG2-CG2 4.21Å; I120-T184 HydrophobicContact CD1-CG2 3.66Å; I120-T184 HydrophobicContact CG1-CG2 4.13Å; V167-T184 HydrophobicContact CB-CG2 4.31Å; V167-T184 HydrophobicContact CG2-CG2 3.67Å; K180-T184 WeakPolarHBondContact O-CB 3.27Å; K180-T184 PolarHBondContact O-N 2.91Å; K180-T184 PolarHBondContact O-OG1 2.99Å; L181-T184 PolarHBondContact O-N 2.87Å; K182-T184 PolarHBondContact O-N 3.32Å
185L97.2Very high95.3Very high1 Ų158 Ų581%0.00529%0.288CS..Hα-helixtrans-100.1-2.9-173.6-60.7179.8000113.6V7 L24 F32 I118 I120 L181 K182 D183 E187 E188 I189V7-L185 HydrophobicContact CB-CD2 4.37Å; V7-L185 HydrophobicContact CG1-CD1 4.44Å; V7-L185 HydrophobicContact CG1-CD2 4.04Å; V7-L185 HydrophobicContact CG2-CD1 4.35Å; V7-L185 HydrophobicContact CG2-CD2 3.37Å; V7-L185 HydrophobicContact CG2-CG 4.49Å; L24-L185 HydrophobicContact CD2-CD1 3.9Å; F32-L185 HydrophobicContact CE1-CD1 4.02Å; F32-L185 HydrophobicContact CZ-CB 4.42Å; F32-L185 HydrophobicContact CZ-CD1 4.08Å; I118-L185 HydrophobicContact CD1-CD2 4.06Å; I120-L185 HydrophobicContact CD1-CD2 3.92Å; I120-L185 HydrophobicContact CD1-CG 4.25Å; L181-L185 HydrophobicContact CD1-CD1 3.87Å; L181-L185 HydrophobicContact CD1-CG 4.43Å; L181-L185 HydrophobicContact CG-CD1 4.27Å; L181-L185 WeakPolarHBondContact O-CG 3.45Å; L181-L185 PolarHBondContact O-N 3.29Å; K182-L185 CarbonylContact O-C 3.58Å; K182-L185 PolarHBondContact O-N 2.9Å; D183-L185 VanDerWaalsContact C-N 3.27Å; D183-L185 PolarHBondContact O-N 3.5Å; L185-E187 VanDerWaalsContact C-N 3.29Å; L185-E187 PolarHBondContact O-N 3.29Å; L185-E188 PolarHBondContact O-N 3.49Å; L185-E188 VanDerWaalsContact O-N 3.11Å; L185-I189 HydrophobicContact CB-CD1 4.06Å; L185-I189 HydrophobicContact CB-CG1 4.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.24Å; L185-I189 PolarHBondContact O-N 3.4Å
186I95.8Very high94.6Very high50 Ų5056.6 Ų56.626%0.25628%0.28SS..Hα-helixtrans-61.1-36.9-166.7-166.159.6000113.2K182 D183 I189 K190K182-I186 PolarHBondContact O-N 3.02Å; D183-I186 VanDerWaalsContact O-CG2 3.24Å; D183-I186 WeakPolarHBondContact O-CG2 3.34Å; I186-I189 PolarHBondContact O-N 3.1Å; I186-K190 HydrophobicContact CG1-CD 4.43Å; I186-K190 WeakPolarHBondContact O-CB 3.25Å; I186-K190 VanDerWaalsContact O-CG 3.28Å; I186-K190 WeakPolarHBondContact O-CG 3.36Å; I186-K190 PolarHBondContact O-N 3.46Å
187E94.6Very high93.6Very high106 Ų10658.9 Ų58.950%0.49529%0.291SS..Hα-helixtrans-71.2-36.4-179.8-66.8-54120.800111.9L185 K190 K191L185-E187 VanDerWaalsContact C-N 3.29Å; L185-E187 PolarHBondContact O-N 3.29Å; E187-K190 IonicContact OE1-NZ 2.79Å; E187-K190 PolarHBondContact OE1-NZ 3.18Å; E187-K191 VanDerWaalsContact O-CG 3.29Å; E187-K191 WeakPolarHBondContact O-CG 3.35Å; E187-K191 PolarHBondContact O-N 2.88Å; E187-K191 VanDerWaalsContact O-N 3.14Å
188E95.1Very high92.3Very high21 Ų2163.5 Ų63.510%0.09832%0.324CS..Hα-helixtrans-70.4-40.6173.5-64.5-54133.800111.5R5 I97 I118 L185 K190 K191 V192R5-E188 HydrophobicContact CB-CG 4.35Å; R5-E188 PolarHBondContact N-OE2 3.44Å; I97-E188 HydrophobicContact CD1-CB 3.71Å; I97-E188 HydrophobicContact CG1-CB 4.46Å; I118-E188 HydrophobicContact CD1-CG 3.71Å; L185-E188 PolarHBondContact O-N 3.49Å; L185-E188 VanDerWaalsContact O-N 3.11Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.46Å; E188-K191 WeakPolarHBondContact O-CB 3.44Å; E188-K191 PolarHBondContact O-N 3.39Å; E188-K191 VanDerWaalsContact O-N 3.16Å; E188-K191 IonicContact OE1-NZ 2.7Å; E188-K191 PolarHBondContact OE1-NZ 3.43Å; E188-K191 IonicContact OE2-NZ 3.76Å; E188-V192 PolarHBondContact O-N 3.12Å; E188-V192 VanDerWaalsContact O-N 3.13Å
189I95.4Very high90.5Very high1 Ų170 Ų701%0.00537%0.37CS..Hα-helixtrans-56.3-49.9174.6-69166.6000110.3Y28 I31 F32 I97 L185 I186 K191 V192 Q193Y28-I189 HydrophobicContact CD1-CD1 4.36Å; Y28-I189 HydrophobicContact CD1-CG2 3.86Å; Y28-I189 HydrophobicContact CD2-CD1 4.32Å; Y28-I189 HydrophobicContact CE1-CD1 4.06Å; Y28-I189 HydrophobicContact CE1-CG2 3.68Å; Y28-I189 HydrophobicContact CE2-CD1 3.99Å; Y28-I189 HydrophobicContact CG-CD1 4.48Å; I31-I189 HydrophobicContact CG2-CB 4.5Å; I31-I189 HydrophobicContact CG2-CG1 4.28Å; I31-I189 HydrophobicContact CG2-CG2 4.37Å; F32-I189 HydrophobicContact CE2-CD1 3.95Å; F32-I189 HydrophobicContact CE2-CG1 3.75Å; F32-I189 HydrophobicContact CZ-CD1 3.78Å; F32-I189 HydrophobicContact CZ-CG1 3.51Å; I97-I189 HydrophobicContact CD1-CG1 4.3Å; L185-I189 HydrophobicContact CB-CD1 4.06Å; L185-I189 HydrophobicContact CB-CG1 4.43Å; L185-I189 WeakPolarHBondContact O-CG1 3.24Å; L185-I189 PolarHBondContact O-N 3.4Å; I186-I189 PolarHBondContact O-N 3.1Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 2.78Å; I189-V192 PolarHBondContact O-N 2.9Å; I189-Q193 HydrophobicContact CG2-CG 4.4Å; I189-Q193 WeakPolarHBondContact O-CG 3.48Å; I189-Q193 PolarHBondContact O-N 3.42Å
190K94.6Very high90.1Very high83 Ų8372.3 Ų72.336%0.36138%0.377SS..Hα-helixtrans-60.8-36.2178.6-75.3170.6-176.4163.40112.4I186 E187 E188 K194I186-K190 HydrophobicContact CG1-CD 4.43Å; I186-K190 WeakPolarHBondContact O-CB 3.25Å; I186-K190 VanDerWaalsContact O-CG 3.28Å; I186-K190 WeakPolarHBondContact O-CG 3.36Å; I186-K190 PolarHBondContact O-N 3.46Å; E187-K190 IonicContact OE1-NZ 2.79Å; E187-K190 PolarHBondContact OE1-NZ 3.18Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.46Å; K190-K194 WeakPolarHBondContact O-CB 3.45Å; K190-K194 VanDerWaalsContact O-CG 3.26Å; K190-K194 WeakPolarHBondContact O-CG 3.28Å; K190-K194 PolarHBondContact O-N 3Å
191K92.8Very high89.7Confident112 Ų11270.1 Ų70.149%0.48737%0.37SS..Hα-helixtrans-62.7-49.4177-74.2169.5-170.4173.40110.9E187 E188 I189 K194 T195E187-K191 VanDerWaalsContact O-CG 3.29Å; E187-K191 WeakPolarHBondContact O-CG 3.35Å; E187-K191 PolarHBondContact O-N 2.88Å; E187-K191 VanDerWaalsContact O-N 3.14Å; E188-K191 WeakPolarHBondContact O-CB 3.44Å; E188-K191 PolarHBondContact O-N 3.39Å; E188-K191 VanDerWaalsContact O-N 3.16Å; E188-K191 IonicContact OE1-NZ 2.7Å; E188-K191 PolarHBondContact OE1-NZ 3.43Å; E188-K191 IonicContact OE2-NZ 3.76Å; I189-K191 VanDerWaalsContact C-N 3.29Å; I189-K191 PolarHBondContact O-N 2.78Å; K191-K194 PolarHBondContact O-N 2.84Å; K191-T195 PolarHBondContact O-N 2.87Å; K191-T195 VanDerWaalsContact O-N 3.1Å; K191-T195 PolarHBondContact O-OG1 2.88Å
192V93.1Very high89.2Confident1 Ų174 Ų741%0.00639%0.391CS..Hα-helixtrans-63.4-44.8178.8178.80000111.8P4 I31 I97 E188 I189 K194 T195 N196P4-V192 HydrophobicContact CB-CG2 3.68Å; P4-V192 HydrophobicContact CG-CG2 3.47Å; P4-V192 VanDerWaalsContact CG-CG2 3.47Å; I31-V192 HydrophobicContact CD1-CB 4.39Å; I31-V192 HydrophobicContact CD1-CG1 3.88Å; I31-V192 HydrophobicContact CG2-CB 4.19Å; I31-V192 HydrophobicContact CG2-CG1 4.26Å; I97-V192 HydrophobicContact CD1-CG2 4.13Å; I97-V192 HydrophobicContact CG1-CG2 3.78Å; E188-V192 PolarHBondContact O-N 3.12Å; E188-V192 VanDerWaalsContact O-N 3.13Å; I189-V192 PolarHBondContact O-N 2.9Å; V192-K194 VanDerWaalsContact C-N 3.3Å; V192-K194 PolarHBondContact O-N 3.26Å; V192-T195 PolarHBondContact O-N 2.84Å; V192-T195 VanDerWaalsContact O-N 3.13Å; V192-N196 PolarHBondContact O-N 2.92Å
193Q92.5Very high88.8Confident80 Ų8075.5 Ų75.537%0.37440%0.402SS..Hα-helixtrans-58.1-41.7177.4-74.2177.6-30.900112.4I31 I189 N196 L197I31-Q193 HydrophobicContact CD1-CG 3.59Å; I31-Q193 HydrophobicContact CG1-CG 4.4Å; I189-Q193 HydrophobicContact CG2-CG 4.4Å; I189-Q193 WeakPolarHBondContact O-CG 3.48Å; I189-Q193 PolarHBondContact O-N 3.42Å; Q193-N196 PolarHBondContact O-N 3.21Å; Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 2.72Å; Q193-L197 VanDerWaalsContact O-N 3.12Å
194K88.9Confident88.2Confident149 Ų14972.9 Ų72.965%0.64839%0.388SS*.Hα-helixtrans-63.2-43.7175.5-75.4173.3-177.8-179.50111.7K190 K191 V192 N196 L197 S198K190-K194 WeakPolarHBondContact O-CB 3.45Å; K190-K194 VanDerWaalsContact O-CG 3.26Å; K190-K194 WeakPolarHBondContact O-CG 3.28Å; K190-K194 PolarHBondContact O-N 3Å; K191-K194 PolarHBondContact O-N 2.84Å; V192-K194 VanDerWaalsContact C-N 3.3Å; V192-K194 PolarHBondContact O-N 3.26Å; K194-N196 VanDerWaalsContact C-N 3.35Å; K194-N196 PolarHBondContact O-N 3.36Å; K194-L197 PolarHBondContact O-N 3.01Å; K194-S198 PolarHBondContact O-N 2.91Å; K194-S198 PolarHBondContact O-OG 3.1Å
195T85.1Confident87.6Confident57 Ų5775.1 Ų75.135%0.3540%0.397SS..Hα-helixtrans-62-42.9177.7-55.30000111.7N95 K191 V192 L197 S198 S199N95-T195 VanDerWaalsContact ND2-CG2 3.33Å; N95-T195 WeakPolarHBondContact ND2-CG2 3.42Å; K191-T195 PolarHBondContact O-N 2.87Å; K191-T195 VanDerWaalsContact O-N 3.1Å; K191-T195 PolarHBondContact O-OG1 2.88Å; V192-T195 PolarHBondContact O-N 2.84Å; V192-T195 VanDerWaalsContact O-N 3.13Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 2.8Å; T195-S198 WeakPolarHBondContact CA-OG 3.49Å; T195-S198 PolarHBondContact O-N 3.25Å; T195-S198 PolarHBondContact O-OG 3.39Å; T195-S199 PolarHBondContact O-N 3Å; T195-S199 PolarHBondContact O-OG 3.03Å
196N82.3Confident86.9Confident71 Ų7180.4 Ų80.438%0.3843%0.425SS..Hα-helixtrans-66.2-29.7178.6-69.3-1.9000113V192 Q193 K194V192-N196 PolarHBondContact O-N 2.92Å; Q193-N196 PolarHBondContact O-N 3.21Å; K194-N196 VanDerWaalsContact C-N 3.35Å; K194-N196 PolarHBondContact O-N 3.36Å
197L76.9Confident86.2Confident153 Ų15382.7 Ų82.780%0.80144%0.438SS*.Hα-helixtrans-77.2-21.7175.5-73.7165.7000113.5Q193 K194 T195Q193-L197 WeakPolarHBondContact O-CG 3.46Å; Q193-L197 PolarHBondContact O-N 2.72Å; Q193-L197 VanDerWaalsContact O-N 3.12Å; K194-L197 PolarHBondContact O-N 3.01Å; T195-L197 VanDerWaalsContact C-N 3.3Å; T195-L197 PolarHBondContact O-N 2.8Å
198S69.3Low85.5Confident99 Ų9980.8 Ų80.869%0.69243%0.433SS*.  trans-96.3-2.3179.757.60000114.4K194 T195K194-S198 PolarHBondContact O-N 2.91Å; K194-S198 PolarHBondContact O-OG 3.1Å; T195-S198 WeakPolarHBondContact CA-OG 3.49Å; T195-S198 PolarHBondContact O-N 3.25Å; T195-S198 PolarHBondContact O-OG 3.39Å
199S60.3Low84.7Confident142 Ų14286.2 Ų86.299%0.99346%0.463SS*.  trans-1010180-52.20000110.3T195T195-S199 PolarHBondContact O-N 3Å; T195-S199 PolarHBondContact O-OG 3.03Å

Retrieved 199 of 199 residues in 647.8 ms (Link to these results)

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