A0A068FPW7_ARATH Loading...

alpha,alpha-trehalose-phosphate synthase (UDP-forming)

AlphaFold DB (Q9T079), UniProt , Accession A0A068FPW7, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene n/a, Length 795 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
1M42.1Very low82.4Confident245 Ų24555.6 Ų55.6100%1.20730%0.296SS*.  0138.20-74.6178.8-176.700107.5
2A61Low82.8Confident97 Ų9756.4 Ų56.480%0.80231%0.309SS*.PPolyproline II helixtrans-60.7145.4171.800000109.4
3R69.4Low83.3Confident157 Ų15752.5 Ų52.559%0.59229%0.288SS*.PPolyproline II helixtrans-63.3140.3173.5-71-176.3-173.6173.43.3108.5K42R3-K42 VanDerWaalsContact CZ-O 3.28Å; R3-K42 PolarHBondContact NE-O 3.05Å; R3-K42 PolarHBondContact NH1-O 2.87Å
4P82Confident83.3Confident65 Ų6549.2 Ų49.242%0.42227%0.27SS..PPolyproline II helixtrans-55.7144170.325.4-35000109.9E43 F44 E45P4-E43 VanDerWaalsContact CD-O 3.31Å; P4-E43 WeakPolarHBondContact CD-O 3.37Å; P4-F44 HydrophobicContact CB-CD1 3.83Å; P4-F44 HydrophobicContact CB-CE1 3.64Å; P4-F44 HydrophobicContact CG-CD1 3.66Å; P4-F44 HydrophobicContact CG-CE1 3.44Å; P4-F44 VanDerWaalsContact CG-CE1 3.44Å; P4-F44 HydrophobicContact CG-CG 4.38Å; P4-F44 HydrophobicContact CG-CZ 3.99Å; P4-F44 CarbonylContact O-C 3.54Å; P4-F44 WeakPolarHBondContact O-CA 3.47Å; P4-F44 WeakPolarHBondContact O-CD1 3.27Å; P4-E45 PolarHBondContact O-N 3.14Å
5R89.8Confident83.2Confident25 Ų2546.4 Ų46.49%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-96.3142.3179.5-69.3160.645.6139-4.8110.9E45 H137 E139 D142 V143R5-E45 WeakPolarHBondContact CA-O 3.04Å; R5-E45 HydrophobicContact CG-CB 4.09Å; R5-H137 PolarHBondContact NH2-O 2.97Å; R5-E139 IonicContact CZ-OE1 3.53Å; R5-E139 IonicContact CZ-OE2 3.68Å; R5-E139 IonicContact NE-OE2 3.58Å; R5-E139 IonicContact NH1-OE1 3.42Å; R5-E139 PolarHBondContact NH1-OE1 3.11Å; R5-E139 IonicContact NH1-OE2 2.67Å; R5-E139 PolarHBondContact NH1-OE2 2.54Å; R5-E139 IonicContact NH2-OE1 3.52Å; R5-D142 HydrophobicContact CB-CB 4.49Å; R5-D142 VanDerWaalsContact CB-OD1 3.32Å; R5-D142 WeakPolarHBondContact CB-OD1 3.35Å; R5-D142 IonicContact CZ-OD2 2.65Å; R5-D142 IonicContact NE-OD1 3.14Å; R5-D142 PolarHBondContact NE-OD1 3.33Å; R5-D142 IonicContact NE-OD2 3.81Å; R5-D142 PolarHBondContact NE-OD2 2.87Å; R5-D142 IonicContact NH2-OD2 2.76Å; R5-D142 PolarHBondContact NH2-OD2 3.41Å; R5-V143 PolarHBondContact O-N 3.25Å
6L92Very high82.8Confident0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-120.6121.3177.1173.561.7000109.4V8 L41 F44 E45 T46 K47 V143 W145 M465L6-V8 HydrophobicContact CD2-CG2 4.14Å; L6-V8 HydrophobicContact CG-CG2 4.07Å; L6-L41 HydrophobicContact CD2-CD1 3.41Å; L6-L41 VanDerWaalsContact CD2-CD1 3.41Å; L6-F44 HydrophobicContact CB-CB 3.91Å; L6-F44 HydrophobicContact CB-CD1 3.98Å; L6-F44 HydrophobicContact CB-CG 4.1Å; L6-E45 PolarHBondContact N-O 3.06Å; L6-T46 HydrophobicContact CD2-CG2 4.34Å; L6-T46 HydrophobicContact CG-CG2 4.41Å; L6-T46 CarbonylContact O-C 3.41Å; L6-T46 WeakPolarHBondContact O-CA 3.37Å; L6-K47 PolarHBondContact O-N 2.68Å; L6-V143 CarbonylContact C-O 3.56Å; L6-V143 WeakPolarHBondContact CA-O 3.38Å; L6-V143 HydrophobicContact CD1-CB 4.07Å; L6-V143 HydrophobicContact CD1-CG1 4.03Å; L6-W145 HydrophobicContact CD1-CB 3.94Å; L6-W145 HydrophobicContact CD2-CE3 4.41Å; L6-M465 HydrophobicContact CD1-CE 4.06Å; L6-M465 HydrophobicContact CD1-SD 3.96Å; L6-M465 HydrophobicContact CD2-CE 4.42Å; L6-M465 HydrophobicContact CD2-SD 4.12Å
7L94.2Very high82.7Confident0 Ų046.1 Ų46.10%026%0.257CS..EExtended strand (participates in β ladder)trans-100104.1172.7-56.6-175.6000108.9K47 I49 V134 Y138 V143 V144 W145L7-K47 WeakPolarHBondContact CA-O 3.47Å; L7-K47 HydrophobicContact CD2-CB 3.86Å; L7-K47 HydrophobicContact CD2-CD 4.29Å; L7-K47 HydrophobicContact CD2-CG 4.48Å; L7-I49 HydrophobicContact CB-CD1 4.37Å; L7-V134 HydrophobicContact CD1-CG1 4.37Å; L7-Y138 HydrophobicContact CD1-CD2 4.26Å; L7-V143 PolarHBondContact N-O 3.05Å; L7-V144 HydrophobicContact CB-CG2 4.38Å; L7-V144 HydrophobicContact CD1-CG2 4.35Å; L7-V144 CarbonylContact O-C 3.5Å; L7-V144 WeakPolarHBondContact O-CA 3.4Å; L7-W145 PolarHBondContact O-N 2.88Å
8V94.3Very high82.6Confident0 Ų051.7 Ų51.70%028%0.278CS..EExtended strand (participates in β ladder)trans-83.6127173.6172.60000108.3L6 L38 T46 K47 W48 I49L6-V8 HydrophobicContact CD2-CG2 4.14Å; L6-V8 HydrophobicContact CG-CG2 4.07Å; V8-L38 HydrophobicContact CB-CD1 4.48Å; V8-L38 HydrophobicContact CG1-CD1 3.66Å; V8-L38 HydrophobicContact CG2-CB 4.27Å; V8-L38 HydrophobicContact CG2-CD1 4Å; V8-L38 HydrophobicContact CG2-CD2 4.24Å; V8-L38 HydrophobicContact CG2-CG 4.41Å; V8-T46 HydrophobicContact CG2-CG2 3.75Å; V8-K47 PolarHBondContact N-O 3.09Å; V8-W48 HydrophobicContact CB-CD2 4.24Å; V8-W48 HydrophobicContact CB-CE3 4.47Å; V8-W48 HydrophobicContact CB-CG 4.34Å; V8-W48 HydrophobicContact CG1-CD2 3.73Å; V8-W48 HydrophobicContact CG1-CE3 4.05Å; V8-W48 HydrophobicContact CG1-CG 4.16Å; V8-W48 HydrophobicContact CG1-CH2 4.37Å; V8-W48 HydrophobicContact CG1-CZ2 4.03Å; V8-W48 HydrophobicContact CG1-CZ3 4.36Å; V8-W48 CarbonylContact O-C 3.5Å; V8-W48 WeakPolarHBondContact O-CA 3.5Å; V8-I49 PolarHBondContact O-N 3.34Å
9V96Very high82.5Confident0 Ų054.2 Ų54.20%028%0.283CS..EExtended strand (participates in β ladder)trans-120.5118.8177.9-167.30000109.8I49 F130 V134 V144 W145 H147 L154V9-I49 HydrophobicContact CG1-CB 4.43Å; V9-I49 HydrophobicContact CG1-CG2 4.36Å; V9-I49 HydrophobicContact CG2-CB 4.32Å; V9-I49 HydrophobicContact CG2-CD1 4.33Å; V9-F130 HydrophobicContact CG1-CD1 3.7Å; V9-F130 HydrophobicContact CG1-CE1 4.24Å; V9-V134 HydrophobicContact CG1-CG2 4.4Å; V9-V134 HydrophobicContact CG2-CG2 3.65Å; V9-V144 HydrophobicContact CG2-CG1 3.82Å; V9-W145 PolarHBondContact N-O 3.35Å; V9-H147 PolarHBondContact O-N 2.86Å; V9-L154 HydrophobicContact CB-CD2 4.08Å; V9-L154 HydrophobicContact CG1-CD2 3.63Å; V9-L154 HydrophobicContact CG2-CD2 4.31Å
10S93.6Very high82.5Confident13 Ų1355.7 Ų55.79%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-140.3166.1176.467.30000111.7S12 W48 I49 G50 F130S10-S12 PolarHBondContact O-N 2.79Å; S10-S12 PolarHBondContact OG-O 3.48Å; S10-W48 PolarHBondContact OG-NE1 3.32Å; S10-I49 PolarHBondContact N-O 2.67Å; S10-I49 VanDerWaalsContact N-O 3.09Å; S10-G50 VanDerWaalsContact O-CA 3.28Å; S10-G50 WeakPolarHBondContact O-CA 3.47Å; S10-F130 WeakPolarHBondContact O-CE1 3.37Å
11M92Very high82.2Confident10 Ų1054.5 Ų54.55%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-51.9-54-180177.659.2-155.700112.7W51 L79 Y86 Y87 H150M11-W51 HydrophobicContact CE-CB 4.44Å; M11-W51 HydrophobicContact CE-CD2 4.34Å; M11-W51 HydrophobicContact CE-CE3 3.8Å; M11-W51 HydrophobicContact CE-CZ3 4.43Å; M11-W51 WeakPolarHBondContact O-CB 3.4Å; M11-W51 PolarHBondContact O-N 2.79Å; M11-L79 HydrophobicContact CE-CD1 3.81Å; M11-Y86 HydrophobicContact CE-CD1 4.37Å; M11-Y86 HydrophobicContact CE-CE1 3.8Å; M11-Y86 HydrophobicContact SD-CE1 3.47Å; M11-Y86 WeakPolarHBondContact SD-CE1 3.19Å; M11-Y87 HydrophobicContact CE-CD2 3.41Å; M11-Y87 VanDerWaalsContact CE-CD2 3.41Å; M11-Y87 HydrophobicContact CE-CE2 4.09Å; M11-Y87 HydrophobicContact CE-CG 3.78Å; M11-Y87 HydrophobicContact CG-CD2 4Å; M11-Y87 HydrophobicContact CG-CE2 3.95Å; M11-Y87 HydrophobicContact SD-CD2 3.9Å; M11-Y87 HydrophobicContact SD-CE2 4.46Å; M11-H150 HydrophobicContact CB-CB 3.97Å; M11-H150 HydrophobicContact CG-CB 4.48Å; M11-H150 HydrophobicContact SD-CB 4.29Å
12S86.9Confident83.6Confident65 Ų6550.8 Ų50.846%0.45528%0.276SS..EExtended strand (participates in β ladder)trans-113.4149-179.458.10000111.4S10 W51S10-S12 PolarHBondContact O-N 2.79Å; S10-S12 PolarHBondContact OG-O 3.48Å; S12-W51 CarbonylContact C-O 3.58Å; S12-W51 VanDerWaalsContact CA-O 3.31Å; S12-W51 WeakPolarHBondContact CA-O 3.48Å
13L89.2Confident84.3Confident5 Ų552.6 Ų52.63%0.02627%0.268CS..  trans-67.1156.7165.3-72.4177.2000110.9V15 W48 G50 W51 P52 L69 C74 P76L13-V15 HydrophobicContact CB-CG2 3.77Å; L13-V15 HydrophobicContact CD1-CG2 4.27Å; L13-V15 PolarHBondContact O-N 2.97Å; L13-W48 HydrophobicContact CD2-CB 4.48Å; L13-W48 HydrophobicContact CD2-CG 4.37Å; L13-W48 WeakPolarHBondContact CD2-O 3.47Å; L13-G50 WeakPolarHBondContact CG-O 3.47Å; L13-W51 PolarHBondContact N-O 3.48Å; L13-P52 HydrophobicContact CD1-CB 4.29Å; L13-L69 HydrophobicContact CD1-CD1 3.68Å; L13-L69 HydrophobicContact CD1-CD2 4.24Å; L13-C74 HydrophobicContact CD1-CB 4.21Å; L13-C74 HydrophobicContact CD2-CB 4.05Å; L13-P76 HydrophobicContact CD1-CB 4.36Å
14P83.2Confident84.7Confident7 Ų747.5 Ų47.55%0.04526%0.256CS..SBendtrans-76.332.7176.334.5-38.1000112.4M29 S30 V35 W48P14-M29 HydrophobicContact CB-SD 3.99Å; P14-M29 HydrophobicContact CG-SD 3.95Å; P14-S30 WeakPolarHBondContact O-CB 3.36Å; P14-S30 PolarHBondContact O-N 3.34Å; P14-V35 HydrophobicContact CB-CB 4.06Å; P14-V35 HydrophobicContact CB-CG1 3.57Å; P14-V35 HydrophobicContact CB-CG2 3.33Å; P14-V35 HydrophobicContact CG-CG1 4.09Å; P14-W48 HydrophobicContact CG-CD2 3.92Å; P14-W48 HydrophobicContact CG-CE3 4.03Å; P14-W48 HydrophobicContact CG-CG 4.24Å; P14-W48 HydrophobicContact CG-CZ3 4.43Å
15V81.7Confident84.6Confident7 Ų745.8 Ų45.84%0.04224%0.242CC..EExtended strand (participates in β ladder)trans-137.4146.3-174.6-59.30000110.8L13 T28 M29 L69L13-V15 HydrophobicContact CB-CG2 3.77Å; L13-V15 HydrophobicContact CD1-CG2 4.27Å; L13-V15 PolarHBondContact O-N 2.97Å; V15-T28 CarbonylContact C-O 3.4Å; V15-T28 WeakPolarHBondContact CA-O 3.36Å; V15-M29 HydrophobicContact CG1-CE 3.98Å; V15-M29 HydrophobicContact CG1-SD 3.61Å; V15-L69 HydrophobicContact CG1-CD2 4.47Å; V15-L69 HydrophobicContact CG2-CD2 3.72Å
16T77.5Confident84.1Confident81 Ų8146.9 Ų46.950%0.49725%0.253SS..EExtended strand (participates in β ladder)trans-102.6110.5164.5-55.20000107.6T28T16-T28 PolarHBondContact N-O 2.95Å; T16-T28 PolarHBondContact O-N 3.08Å; T16-T28 VanDerWaalsContact O-N 3.07Å
17A80.8Confident83.3Confident6 Ų648.2 Ų48.25%0.0526%0.259CS..EExtended strand (participates in β ladder)trans-89.6133.3175.800000110.2W25 F27 V54 L65A17-W25 HydrophobicContact CB-CE3 4.1Å; A17-W25 HydrophobicContact CB-CZ3 4.34Å; A17-F27 HydrophobicContact CB-CD1 3.92Å; A17-F27 HydrophobicContact CB-CE1 3.7Å; A17-V54 HydrophobicContact CB-CG2 4.13Å; A17-V54 WeakPolarHBondContact O-CG1 3.47Å; A17-L65 HydrophobicContact CB-CD1 4.23Å
18K81.5Confident82.3Confident147 Ų14752.6 Ų52.664%0.63929%0.286SS*.EExtended strand (participates in β ladder)trans-131.5120.4172.8178.6-179.1-177.9-178.60109.4T20 S26K18-T20 PolarHBondContact O-N 3.39Å; K18-S26 WeakPolarHBondContact CB-OG 3.33Å; K18-S26 PolarHBondContact N-O 3.33Å; K18-S26 PolarHBondContact O-N 3.38Å; K18-S26 PolarHBondContact O-OG 3.18Å
19R79.8Confident81.1Confident99 Ų9956 Ų5637%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-66.3125.2177.1-162.3171.7-174.8162.88.1109.5G21 E22 W25 D58R19-G21 WeakPolarHBondContact CG-O 3.35Å; R19-G21 PolarHBondContact NE-O 3.44Å; R19-E22 PolarHBondContact NH2-O 2.99Å; R19-W25 HydrophobicContact CB-CD2 4.26Å; R19-W25 HydrophobicContact CB-CE3 3.85Å; R19-W25 HydrophobicContact CB-CH2 3.83Å; R19-W25 HydrophobicContact CB-CZ2 4.24Å; R19-W25 HydrophobicContact CB-CZ3 3.62Å; R19-W25 HydrophobicContact CG-CD2 4.33Å; R19-W25 HydrophobicContact CG-CE3 4.42Å; R19-W25 HydrophobicContact CG-CH2 4.14Å; R19-W25 HydrophobicContact CG-CZ2 4.07Å; R19-W25 HydrophobicContact CG-CZ3 4.33Å; R19-D58 IonicContact CZ-OD1 3.69Å; R19-D58 IonicContact CZ-OD2 3.79Å; R19-D58 IonicContact NH1-OD1 2.67Å; R19-D58 IonicContact NH1-OD2 3.79Å; R19-D58 PolarHBondContact NH1-OD2 3.34Å; R19-D58 IonicContact NH2-OD1 2.91Å; R19-D58 PolarHBondContact NH2-OD1 3.33Å; R19-D58 IonicContact NH2-OD2 2.77Å; R19-D58 PolarHBondContact NH2-OD2 3.11Å
20T82.4Confident79.7Confident85 Ų8558 Ų5852%0.52132%0.316SS..EExtended strand (participates in β ladder)trans-107-11.518046.60000113.1K18 S24 S26K18-T20 PolarHBondContact O-N 3.39Å; T20-S24 PolarHBondContact N-O 3.12Å; T20-S24 VanDerWaalsContact OG1-C 3.3Å; T20-S24 WeakPolarHBondContact OG1-CB 3.34Å; T20-S24 PolarHBondContact OG1-O 2.93Å; T20-S24 PolarHBondContact OG1-OG 2.96Å; T20-S26 WeakPolarHBondContact CG2-OG 3.47Å
21G76Confident77.7Confident31 Ų3161.8 Ų61.832%0.3234%0.341SS..EExtended strand (participates in β ladder)trans-172.1-175.3175.200000110.8R19 E23 S24R19-G21 WeakPolarHBondContact CG-O 3.35Å; R19-G21 PolarHBondContact NE-O 3.44Å; G21-E23 VanDerWaalsContact C-N 3.29Å; G21-E23 PolarHBondContact O-N 3.29Å; G21-S24 WeakPolarHBondContact CA-OG 3.35Å; G21-S24 PolarHBondContact N-O 3.32Å; G21-S24 PolarHBondContact N-OG 2.87Å; G21-S24 VanDerWaalsContact N-OG 3.08Å
22E71.6Confident75.9Confident166 Ų16662.4 Ų62.478%0.77635%0.35SS*.THydrogen-bonded Turntrans-57.7-42.4-179.8-73-174.916300112.1R19R19-E22 PolarHBondContact NH2-O 2.99Å
23E75.8Confident74.3Confident135 Ų13560.3 Ų60.363%0.63134%0.338SS*.THydrogen-bonded Turntrans-11923.5-179.3-56.1-169.9156.300113.3G21 I60 T64G21-E23 VanDerWaalsContact C-N 3.29Å; G21-E23 PolarHBondContact O-N 3.29Å; E23-I60 HydrophobicContact CG-CG2 3.86Å; E23-T64 WeakPolarHBondContact O-CG2 3.36Å
24S78.3Confident73.2Confident50 Ų5062.2 Ų62.235%0.3535%0.348SS..EExtended strand (participates in β ladder)trans-133.6138.8179.365.80000113.3T20 G21T20-S24 PolarHBondContact N-O 3.12Å; T20-S24 VanDerWaalsContact OG1-C 3.3Å; T20-S24 WeakPolarHBondContact OG1-CB 3.34Å; T20-S24 PolarHBondContact OG1-O 2.93Å; T20-S24 PolarHBondContact OG1-OG 2.96Å; G21-S24 WeakPolarHBondContact CA-OG 3.35Å; G21-S24 PolarHBondContact N-O 3.32Å; G21-S24 PolarHBondContact N-OG 2.87Å; G21-S24 VanDerWaalsContact N-OG 3.08Å
25W80.3Confident72.5Confident30 Ų3062.5 Ų62.511%0.11435%0.35CS..EExtended strand (participates in β ladder)trans-127.6137179.3-68.192.3000109.9A17 R19 F27 V54 V56 G61 L65A17-W25 HydrophobicContact CB-CE3 4.1Å; A17-W25 HydrophobicContact CB-CZ3 4.34Å; R19-W25 HydrophobicContact CB-CD2 4.26Å; R19-W25 HydrophobicContact CB-CE3 3.85Å; R19-W25 HydrophobicContact CB-CH2 3.83Å; R19-W25 HydrophobicContact CB-CZ2 4.24Å; R19-W25 HydrophobicContact CB-CZ3 3.62Å; R19-W25 HydrophobicContact CG-CD2 4.33Å; R19-W25 HydrophobicContact CG-CE3 4.42Å; R19-W25 HydrophobicContact CG-CH2 4.14Å; R19-W25 HydrophobicContact CG-CZ2 4.07Å; R19-W25 HydrophobicContact CG-CZ3 4.33Å; W25-F27 HydrophobicContact CB-CD2 4.35Å; W25-F27 HydrophobicContact CB-CE1 4.36Å; W25-F27 HydrophobicContact CB-CE2 3.39Å; W25-F27 HydrophobicContact CB-CZ 3.41Å; W25-F27 VanDerWaalsContact CB-CZ 3.41Å; W25-F27 HydrophobicContact CG-CZ 4.14Å; W25-V54 HydrophobicContact CH2-CG2 4.12Å; W25-V54 HydrophobicContact CZ3-CG2 3.9Å; W25-V56 HydrophobicContact CH2-CG2 3.62Å; W25-V56 HydrophobicContact CZ2-CG1 4.16Å; W25-V56 HydrophobicContact CZ2-CG2 3.83Å; W25-G61 PolarHBondContact NE1-O 3.4Å; W25-L65 HydrophobicContact CD2-CD1 4.22Å; W25-L65 HydrophobicContact CE3-CD1 4.43Å; W25-L65 HydrophobicContact CG-CD1 4.38Å; W25-L65 HydrophobicContact CZ2-CD2 4.41Å
26S79.6Confident71.4Confident47 Ų4764.7 Ų64.733%0.32937%0.366SS..EExtended strand (participates in β ladder)trans-101.7141.5167.562.90000109.7K18 T20K18-S26 WeakPolarHBondContact CB-OG 3.33Å; K18-S26 PolarHBondContact N-O 3.33Å; K18-S26 PolarHBondContact O-N 3.38Å; K18-S26 PolarHBondContact O-OG 3.18Å; T20-S26 WeakPolarHBondContact CG2-OG 3.47Å
27F75.3Confident70.6Confident29 Ų2961 Ų6113%0.12734%0.343CS..EExtended strand (participates in β ladder)trans-129.8131-176.2-61.1-85.4000110.5A17 W25 L65 T68 L69A17-F27 HydrophobicContact CB-CD1 3.92Å; A17-F27 HydrophobicContact CB-CE1 3.7Å; W25-F27 HydrophobicContact CB-CD2 4.35Å; W25-F27 HydrophobicContact CB-CE1 4.36Å; W25-F27 HydrophobicContact CB-CE2 3.39Å; W25-F27 HydrophobicContact CB-CZ 3.41Å; W25-F27 VanDerWaalsContact CB-CZ 3.41Å; W25-F27 HydrophobicContact CG-CZ 4.14Å; F27-L65 HydrophobicContact CE1-CD1 3.33Å; F27-L65 HydrophobicContact CZ-CD1 3.41Å; F27-L65 VanDerWaalsContact CZ-CD1 3.41Å; F27-T68 HydrophobicContact CD2-CG2 3.76Å; F27-T68 HydrophobicContact CE2-CG2 3.25Å; F27-T68 HydrophobicContact CZ-CG2 4.08Å; F27-L69 HydrophobicContact CD1-CD2 3.9Å; F27-L69 HydrophobicContact CE1-CD2 3.61Å; F27-L69 HydrophobicContact CE1-CG 3.97Å; F27-L69 HydrophobicContact CZ-CD2 4.39Å; F27-L69 HydrophobicContact CZ-CG 4.37Å
28T71.8Confident70.1Confident92 Ų9260.7 Ų60.756%0.56434%0.34SS*.EExtended strand (participates in β ladder)trans-113.3124165.150.70000107.8V15 T16 S30V15-T28 CarbonylContact C-O 3.4Å; V15-T28 WeakPolarHBondContact CA-O 3.36Å; T16-T28 PolarHBondContact N-O 2.95Å; T16-T28 PolarHBondContact O-N 3.08Å; T16-T28 VanDerWaalsContact O-N 3.07Å; T28-S30 PolarHBondContact O-N 2.8Å
29M70.5Confident69.5Low70 Ų7057.8 Ų57.835%0.34533%0.331SS..EExtended strand (participates in β ladder)trans-68.5127.9173.5-169.46673.400107.2P14 V15 P31 V35 K72P14-M29 HydrophobicContact CB-SD 3.99Å; P14-M29 HydrophobicContact CG-SD 3.95Å; V15-M29 HydrophobicContact CG1-CE 3.98Å; V15-M29 HydrophobicContact CG1-SD 3.61Å; M29-P31 WeakPolarHBondContact O-CD 3.27Å; M29-V35 HydrophobicContact CG-CG1 4.35Å; M29-V35 HydrophobicContact SD-CG1 4.13Å; M29-K72 HydrophobicContact CE-CB 4.33Å; M29-K72 HydrophobicContact CE-CD 4.13Å
30S65.9Low68.5Low42 Ų4254.2 Ų54.229%0.29433%0.325SS..  trans-63.7121.3177.8-70.80000108.6P14 T28 G32P14-S30 WeakPolarHBondContact O-CB 3.36Å; P14-S30 PolarHBondContact O-N 3.34Å; T28-S30 PolarHBondContact O-N 2.8Å; S30-G32 PolarHBondContact O-N 3.49Å; S30-G32 VanDerWaalsContact O-N 3.1Å
31P52.1Low67.8Low94 Ų9450.4 Ų50.461%0.6130%0.302SS*.  trans-67.3112173.325.3-29.6000108.4M29M29-P31 WeakPolarHBondContact O-CD 3.27Å
32G54.3Low67.4Low23 Ų2357.3 Ų57.324%0.23732%0.323CS..  trans-159.6141.317800000113.1S30 L34 V35 S36S30-G32 PolarHBondContact O-N 3.49Å; S30-G32 VanDerWaalsContact O-N 3.1Å; G32-L34 VanDerWaalsContact C-N 3.29Å; G32-L34 PolarHBondContact O-N 3.42Å; G32-V35 WeakPolarHBondContact O-CB 3.45Å; G32-V35 PolarHBondContact O-N 3.03Å; G32-V35 VanDerWaalsContact O-N 3.1Å; G32-S36 PolarHBondContact O-N 3.26Å; G32-S36 VanDerWaalsContact O-N 3.14Å
33G52.3Low67.3Low21 Ų2156.3 Ų56.322%0.21632%0.319CS..Hα-helixtrans-58.7-39-179.400000113V35 S36 A37G33-V35 VanDerWaalsContact C-N 3.29Å; G33-V35 PolarHBondContact O-N 3.39Å; G33-S36 PolarHBondContact O-N 3Å; G33-A37 WeakPolarHBondContact O-CB 3.31Å; G33-A37 PolarHBondContact O-N 2.99Å
34L66.1Low67.4Low44 Ų4450.6 Ų50.623%0.2329%0.291CS..Hα-helixtrans-57.8-42.5175-169.978.3000111.7G32 L38 W48 I242 W460G32-L34 VanDerWaalsContact C-N 3.29Å; G32-L34 PolarHBondContact O-N 3.42Å; L34-L38 HydrophobicContact CD1-CD1 4.02Å; L34-L38 HydrophobicContact CD2-CD1 4.45Å; L34-L38 HydrophobicContact CG-CD1 3.83Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.44Å; L34-W48 HydrophobicContact CD2-CH2 3.79Å; L34-W48 HydrophobicContact CD2-CZ2 4Å; L34-W48 HydrophobicContact CG-CH2 3.93Å; L34-I242 HydrophobicContact CD1-CD1 3.91Å; L34-W460 HydrophobicContact CD1-CH2 3.58Å; L34-W460 HydrophobicContact CD1-CZ3 3.76Å
35V68.9Low67.8Low14 Ų1452.9 Ų52.99%0.08530%0.297CS..Hα-helixtrans-64.4-50.7179.4-171.30000110.4P14 M29 G32 G33 A37 L39 W48P14-V35 HydrophobicContact CB-CB 4.06Å; P14-V35 HydrophobicContact CB-CG1 3.57Å; P14-V35 HydrophobicContact CB-CG2 3.33Å; P14-V35 HydrophobicContact CG-CG1 4.09Å; M29-V35 HydrophobicContact CG-CG1 4.35Å; M29-V35 HydrophobicContact SD-CG1 4.13Å; G32-V35 WeakPolarHBondContact O-CB 3.45Å; G32-V35 PolarHBondContact O-N 3.03Å; G32-V35 VanDerWaalsContact O-N 3.1Å; G33-V35 VanDerWaalsContact C-N 3.29Å; G33-V35 PolarHBondContact O-N 3.39Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.15Å; V35-L39 HydrophobicContact CG1-CD1 3.74Å; V35-L39 HydrophobicContact CG1-CG 4.38Å; V35-L39 VanDerWaalsContact O-CB 3.32Å; V35-L39 WeakPolarHBondContact O-CB 3.46Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 2.82Å; V35-W48 HydrophobicContact CG2-CH2 4.34Å
36S59.3Low68.1Low53 Ų5352.4 Ų52.437%0.37130%0.297SS..Hα-helixtrans-62.4-39.2-179.9-63.10000112.6G32 G33 G40G32-S36 PolarHBondContact O-N 3.26Å; G32-S36 VanDerWaalsContact O-N 3.14Å; G33-S36 PolarHBondContact O-N 3Å; S36-G40 VanDerWaalsContact O-CA 3.3Å; S36-G40 WeakPolarHBondContact O-CA 3.41Å; S36-G40 PolarHBondContact O-N 3.38Å
37A61.2Low68.6Low2 Ų252.5 Ų52.52%0.01729%0.292CS..Hα-helixtrans-69.8-46.6179.500000112.7G33 V35 G40 L41 T457 A461G33-A37 WeakPolarHBondContact O-CB 3.31Å; G33-A37 PolarHBondContact O-N 2.99Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.15Å; A37-G40 CarbonylContact O-C 3.55Å; A37-G40 WeakPolarHBondContact O-CA 3.36Å; A37-G40 PolarHBondContact O-N 2.63Å; A37-L41 PolarHBondContact O-N 3.02Å; A37-T457 HydrophobicContact CB-CG2 3.26Å; A37-A461 HydrophobicContact CB-CB 4.5Å
38L69.9Low69.5Low0 Ų051.4 Ų51.40%029%0.287CS..Hα-helixtrans-71.6-33.3-177.2-65.5176.5000112.2V8 L34 G40 L41 T46 W48 W145 W460V8-L38 HydrophobicContact CB-CD1 4.48Å; V8-L38 HydrophobicContact CG1-CD1 3.66Å; V8-L38 HydrophobicContact CG2-CB 4.27Å; V8-L38 HydrophobicContact CG2-CD1 4Å; V8-L38 HydrophobicContact CG2-CD2 4.24Å; V8-L38 HydrophobicContact CG2-CG 4.41Å; L34-L38 HydrophobicContact CD1-CD1 4.02Å; L34-L38 HydrophobicContact CD2-CD1 4.45Å; L34-L38 HydrophobicContact CG-CD1 3.83Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 VanDerWaalsContact O-CG 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 3.44Å; L38-G40 VanDerWaalsContact C-N 3.31Å; L38-L41 HydrophobicContact CD2-CD1 4.24Å; L38-T46 PolarHBondContact O-OG1 2.89Å; L38-W48 HydrophobicContact CB-CE3 4.37Å; L38-W48 HydrophobicContact CB-CZ3 3.78Å; L38-W48 HydrophobicContact CD1-CE3 4.37Å; L38-W48 HydrophobicContact CD1-CH2 3.56Å; L38-W48 HydrophobicContact CD1-CZ2 4.3Å; L38-W48 HydrophobicContact CD1-CZ3 3.59Å; L38-W48 HydrophobicContact CG-CZ3 4.24Å; L38-W145 HydrophobicContact CD2-CE3 3.67Å; L38-W145 HydrophobicContact CD2-CH2 3.98Å; L38-W145 HydrophobicContact CD2-CZ3 3.26Å; L38-W460 HydrophobicContact CD2-CZ3 4.31Å
39L67.3Low70.6Confident86 Ų8647 Ų4745%0.4526%0.26SS..Hα-helixtrans-75.5-21168.4-63.4178.4000112.6V35V35-L39 HydrophobicContact CG1-CD1 3.74Å; V35-L39 HydrophobicContact CG1-CG 4.38Å; V35-L39 VanDerWaalsContact O-CB 3.32Å; V35-L39 WeakPolarHBondContact O-CB 3.46Å; V35-L39 VanDerWaalsContact O-CG 3.26Å; V35-L39 WeakPolarHBondContact O-CG 3.45Å; V35-L39 PolarHBondContact O-N 2.82Å
40G59.3Low71.7Confident24 Ų2443.7 Ų43.725%0.24724%0.243CC..Hα-helixtrans-82.5-10.7-178.100000114.8S36 A37 L38 K42 Q458S36-G40 VanDerWaalsContact O-CA 3.3Å; S36-G40 WeakPolarHBondContact O-CA 3.41Å; S36-G40 PolarHBondContact O-N 3.38Å; A37-G40 CarbonylContact O-C 3.55Å; A37-G40 WeakPolarHBondContact O-CA 3.36Å; A37-G40 PolarHBondContact O-N 2.63Å; L38-G40 VanDerWaalsContact C-N 3.31Å; G40-K42 VanDerWaalsContact C-N 3.27Å; G40-K42 WeakPolarHBondContact O-CG 3.46Å; G40-K42 PolarHBondContact O-N 2.79Å; G40-Q458 PolarHBondContact O-OE1 3.39Å
41L68.6Low72.9Confident5 Ų543.4 Ų43.43%0.02624%0.236CC..  trans-63.980.6173.2-72.7170.4000111.2L6 A37 L38 E43 F44 A461 D462 M465L6-L41 HydrophobicContact CD2-CD1 3.41Å; L6-L41 VanDerWaalsContact CD2-CD1 3.41Å; A37-L41 PolarHBondContact O-N 3.02Å; L38-L41 HydrophobicContact CD2-CD1 4.24Å; L41-E43 PolarHBondContact O-N 3.47Å; L41-F44 HydrophobicContact CB-CB 4.49Å; L41-F44 HydrophobicContact CB-CD2 4.21Å; L41-F44 PolarHBondContact O-N 3.4Å; L41-A461 HydrophobicContact CD1-CB 4.33Å; L41-A461 HydrophobicContact CD2-CB 3.94Å; L41-A461 HydrophobicContact CG-CB 4.27Å; L41-D462 WeakPolarHBondContact CD2-OD1 3.32Å; L41-M465 HydrophobicContact CD1-CG 4.18Å; L41-M465 HydrophobicContact CD2-CG 4.44Å
42K66.8Low74.6Confident177 Ų17739 Ų3977%0.7721%0.207SC*.THydrogen-bonded Turntrans-58.2-24.8-174.5-67.7-179.3-176.4173.40113.9R3 G40 F44R3-K42 VanDerWaalsContact CZ-O 3.28Å; R3-K42 PolarHBondContact NE-O 3.05Å; R3-K42 PolarHBondContact NH1-O 2.87Å; G40-K42 VanDerWaalsContact C-N 3.27Å; G40-K42 WeakPolarHBondContact O-CG 3.46Å; G40-K42 PolarHBondContact O-N 2.79Å; K42-F44 VanDerWaalsContact C-N 3.28Å
43E70.7Confident76Confident145 Ų14539.8 Ų39.868%0.67822%0.216SC*.THydrogen-bonded Turntrans-74.6-19.4179.4-59.2-168.2166.400112.7P4 L41P4-E43 VanDerWaalsContact CD-O 3.31Å; P4-E43 WeakPolarHBondContact CD-O 3.37Å; L41-E43 PolarHBondContact O-N 3.47Å
44F78Confident77.4Confident14 Ų1440.6 Ų40.66%0.06122%0.216CC..SBendtrans-112.7149.9-175.8-63.9-91000112.3P4 L6 L41 K42 M465 L469P4-F44 HydrophobicContact CB-CD1 3.83Å; P4-F44 HydrophobicContact CB-CE1 3.64Å; P4-F44 HydrophobicContact CG-CD1 3.66Å; P4-F44 HydrophobicContact CG-CE1 3.44Å; P4-F44 VanDerWaalsContact CG-CE1 3.44Å; P4-F44 HydrophobicContact CG-CG 4.38Å; P4-F44 HydrophobicContact CG-CZ 3.99Å; P4-F44 CarbonylContact O-C 3.54Å; P4-F44 WeakPolarHBondContact O-CA 3.47Å; P4-F44 WeakPolarHBondContact O-CD1 3.27Å; L6-F44 HydrophobicContact CB-CB 3.91Å; L6-F44 HydrophobicContact CB-CD1 3.98Å; L6-F44 HydrophobicContact CB-CG 4.1Å; L41-F44 HydrophobicContact CB-CB 4.49Å; L41-F44 HydrophobicContact CB-CD2 4.21Å; L41-F44 PolarHBondContact O-N 3.4Å; K42-F44 VanDerWaalsContact C-N 3.28Å; F44-M465 HydrophobicContact CD1-CE 4.22Å; F44-M465 HydrophobicContact CD2-CE 4.47Å; F44-M465 HydrophobicContact CE1-CE 3.71Å; F44-M465 HydrophobicContact CE2-CE 4.01Å; F44-M465 HydrophobicContact CZ-CE 3.66Å; F44-L469 HydrophobicContact CE1-CD1 4.37Å; F44-L469 HydrophobicContact CZ-CD1 3.67Å
45E84.9Confident78.1Confident98 Ų9842.7 Ų42.746%0.45823%0.228SC..EExtended strand (participates in β ladder)trans-88103.9156.4-174.9-174157.900107.9P4 R5 L6P4-E45 PolarHBondContact O-N 3.14Å; R5-E45 WeakPolarHBondContact CA-O 3.04Å; R5-E45 HydrophobicContact CG-CB 4.09Å; L6-E45 PolarHBondContact N-O 3.06Å
46T87.7Confident78.7Confident21 Ų2142.2 Ų42.213%0.12923%0.225CC..EExtended strand (participates in β ladder)trans-91.1129.8-175.3-52.90000111.5L6 V8 L38L6-T46 HydrophobicContact CD2-CG2 4.34Å; L6-T46 HydrophobicContact CG-CG2 4.41Å; L6-T46 CarbonylContact O-C 3.41Å; L6-T46 WeakPolarHBondContact O-CA 3.37Å; V8-T46 HydrophobicContact CG2-CG2 3.75Å; L38-T46 PolarHBondContact O-OG1 2.89Å
47K90.6Very high79.8Confident48 Ų4846.5 Ų46.521%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-118139.2165.5-62.6179-178.9170.70109.7L6 L7 V8 G73 I75L6-K47 PolarHBondContact O-N 2.68Å; L7-K47 WeakPolarHBondContact CA-O 3.47Å; L7-K47 HydrophobicContact CD2-CB 3.86Å; L7-K47 HydrophobicContact CD2-CD 4.29Å; L7-K47 HydrophobicContact CD2-CG 4.48Å; V8-K47 PolarHBondContact N-O 3.09Å; K47-G73 CarbonylContact C-O 3.54Å; K47-G73 WeakPolarHBondContact CA-O 3.5Å; K47-I75 HydrophobicContact CB-CD1 4Å; K47-I75 HydrophobicContact CD-CD1 4.17Å
48W92.6Very high81Confident6 Ų648.9 Ų48.92%0.02325%0.251CS..EExtended strand (participates in β ladder)trans-110.7121.4-177-160.2-51.4000111.2V8 S10 L13 P14 L34 V35 L38 G73 C74 I75V8-W48 HydrophobicContact CB-CD2 4.24Å; V8-W48 HydrophobicContact CB-CE3 4.47Å; V8-W48 HydrophobicContact CB-CG 4.34Å; V8-W48 HydrophobicContact CG1-CD2 3.73Å; V8-W48 HydrophobicContact CG1-CE3 4.05Å; V8-W48 HydrophobicContact CG1-CG 4.16Å; V8-W48 HydrophobicContact CG1-CH2 4.37Å; V8-W48 HydrophobicContact CG1-CZ2 4.03Å; V8-W48 HydrophobicContact CG1-CZ3 4.36Å; V8-W48 CarbonylContact O-C 3.5Å; V8-W48 WeakPolarHBondContact O-CA 3.5Å; S10-W48 PolarHBondContact OG-NE1 3.32Å; L13-W48 HydrophobicContact CD2-CB 4.48Å; L13-W48 HydrophobicContact CD2-CG 4.37Å; L13-W48 WeakPolarHBondContact CD2-O 3.47Å; P14-W48 HydrophobicContact CG-CD2 3.92Å; P14-W48 HydrophobicContact CG-CE3 4.03Å; P14-W48 HydrophobicContact CG-CG 4.24Å; P14-W48 HydrophobicContact CG-CZ3 4.43Å; L34-W48 HydrophobicContact CD2-CH2 3.79Å; L34-W48 HydrophobicContact CD2-CZ2 4Å; L34-W48 HydrophobicContact CG-CH2 3.93Å; V35-W48 HydrophobicContact CG2-CH2 4.34Å; L38-W48 HydrophobicContact CB-CE3 4.37Å; L38-W48 HydrophobicContact CB-CZ3 3.78Å; L38-W48 HydrophobicContact CD1-CE3 4.37Å; L38-W48 HydrophobicContact CD1-CH2 3.56Å; L38-W48 HydrophobicContact CD1-CZ2 4.3Å; L38-W48 HydrophobicContact CD1-CZ3 3.59Å; L38-W48 HydrophobicContact CG-CZ3 4.24Å; W48-G73 PolarHBondContact N-O 2.97Å; W48-C74 CarbonylContact O-C 3.45Å; W48-C74 WeakPolarHBondContact O-CA 3.47Å; W48-I75 PolarHBondContact O-N 3.09Å
49I95.1Very high81.7Confident0 Ų052.6 Ų52.60%028%0.282CS..EExtended strand (participates in β ladder)trans-106.1128179.2-60.6166.5000109.2L7 V8 V9 S10 I75 V77 V133 V134L7-I49 HydrophobicContact CB-CD1 4.37Å; V8-I49 PolarHBondContact O-N 3.34Å; V9-I49 HydrophobicContact CG1-CB 4.43Å; V9-I49 HydrophobicContact CG1-CG2 4.36Å; V9-I49 HydrophobicContact CG2-CB 4.32Å; V9-I49 HydrophobicContact CG2-CD1 4.33Å; S10-I49 PolarHBondContact N-O 2.67Å; S10-I49 VanDerWaalsContact N-O 3.09Å; I49-I75 WeakPolarHBondContact CA-O 3.41Å; I49-I75 HydrophobicContact CD1-CD1 4.29Å; I49-I75 HydrophobicContact CG1-CB 3.89Å; I49-I75 HydrophobicContact CG1-CD1 3.76Å; I49-I75 HydrophobicContact CG1-CG1 4.42Å; I49-I75 HydrophobicContact CG1-CG2 4.24Å; I49-V77 HydrophobicContact CG2-CG2 3.51Å; I49-V133 HydrophobicContact CG2-CB 4.42Å; I49-V133 HydrophobicContact CG2-CG1 3.75Å; I49-V134 HydrophobicContact CD1-CB 4.29Å; I49-V134 HydrophobicContact CD1-CG2 3.68Å; I49-V134 HydrophobicContact CG2-CG2 4.44Å
50G94.2Very high82.5Confident0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-177.7171.4-179.800000114.8S10 L13 I75 P76 V77S10-G50 VanDerWaalsContact O-CA 3.28Å; S10-G50 WeakPolarHBondContact O-CA 3.47Å; L13-G50 WeakPolarHBondContact CG-O 3.47Å; G50-I75 PolarHBondContact N-O 3.33Å; G50-I75 VanDerWaalsContact N-O 3.12Å; G50-P76 CarbonylContact O-C 3.58Å; G50-P76 WeakPolarHBondContact O-CA 3.39Å; G50-V77 PolarHBondContact O-N 2.94Å
51W91.7Very high83.7Confident36 Ų3651.9 Ų51.914%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-73.5132.5174.417661.2000111M11 S12 L13 G53 V77 L79M11-W51 HydrophobicContact CE-CB 4.44Å; M11-W51 HydrophobicContact CE-CD2 4.34Å; M11-W51 HydrophobicContact CE-CE3 3.8Å; M11-W51 HydrophobicContact CE-CZ3 4.43Å; M11-W51 WeakPolarHBondContact O-CB 3.4Å; M11-W51 PolarHBondContact O-N 2.79Å; S12-W51 CarbonylContact C-O 3.58Å; S12-W51 VanDerWaalsContact CA-O 3.31Å; S12-W51 WeakPolarHBondContact CA-O 3.48Å; L13-W51 PolarHBondContact N-O 3.48Å; W51-G53 VanDerWaalsContact CZ2-C 3.48Å; W51-G53 PolarHBondContact O-N 3.46Å; W51-G53 VanDerWaalsContact O-N 3.14Å; W51-V77 WeakPolarHBondContact CA-O 3.35Å; W51-L79 HydrophobicContact CB-CD1 4.07Å; W51-L79 HydrophobicContact CG-CD1 3.99Å
52P88.1Confident84.5Confident2 Ų253.9 Ų53.91%0.01328%0.281CS..  trans-72-1-17828.7-37.2000114.9L13 V54 L65 L69 P76 V77 F78L13-P52 HydrophobicContact CD1-CB 4.29Å; P52-V54 VanDerWaalsContact C-N 3.26Å; P52-V54 HydrophobicContact CB-CG2 4.21Å; P52-V54 HydrophobicContact CG-CG2 4.27Å; P52-V54 PolarHBondContact O-N 3.09Å; P52-L65 HydrophobicContact CB-CD2 4.11Å; P52-L65 HydrophobicContact CG-CD2 4.05Å; P52-L69 HydrophobicContact CB-CD1 4.5Å; P52-P76 HydrophobicContact CG-CB 4.28Å; P52-V77 WeakPolarHBondContact CD-O 3.45Å; P52-F78 HydrophobicContact CG-CE1 4.31Å
53G83.1Confident85.5Confident40 Ų4052.5 Ų52.541%0.41228%0.275SS..SBendtrans80.23.3-179.800000114.8W51W51-G53 VanDerWaalsContact CZ2-C 3.48Å; W51-G53 PolarHBondContact O-N 3.46Å; W51-G53 VanDerWaalsContact O-N 3.14Å
54V82.1Confident86.2Confident37 Ų3747.1 Ų47.122%0.22425%0.252CS..SBendtrans-134.1140.2-179.2-68.30000110.1A17 W25 P52 V56 L65A17-V54 HydrophobicContact CB-CG2 4.13Å; A17-V54 WeakPolarHBondContact O-CG1 3.47Å; W25-V54 HydrophobicContact CH2-CG2 4.12Å; W25-V54 HydrophobicContact CZ3-CG2 3.9Å; P52-V54 VanDerWaalsContact C-N 3.26Å; P52-V54 HydrophobicContact CB-CG2 4.21Å; P52-V54 HydrophobicContact CG-CG2 4.27Å; P52-V54 PolarHBondContact O-N 3.09Å; V54-V56 HydrophobicContact CG2-CG2 4Å; V54-L65 HydrophobicContact CG2-CD2 4.34Å
55D80.4Confident86.5Confident88 Ų8846.5 Ų46.547%0.47125%0.249SC..  trans-84.2123.8172.9-67.9-31.5000109.8
56V82Confident86.7Confident5 Ų543.7 Ų43.73%0.0324%0.24CC..  trans-124.4110.3-178.3-171.60000108.2W25 V54 K62 L65 F78W25-V56 HydrophobicContact CH2-CG2 3.62Å; W25-V56 HydrophobicContact CZ2-CG1 4.16Å; W25-V56 HydrophobicContact CZ2-CG2 3.83Å; V54-V56 HydrophobicContact CG2-CG2 4Å; V56-K62 HydrophobicContact CB-CG 4.15Å; V56-K62 HydrophobicContact CG1-CG 3.88Å; V56-K62 WeakPolarHBondContact O-CE 3.38Å; V56-L65 HydrophobicContact CG2-CD2 3.84Å; V56-F78 HydrophobicContact CB-CE1 4.23Å; V56-F78 HydrophobicContact CG2-CE1 4.36Å
57H81.4Confident86.6Confident143 Ų14347.2 Ų47.266%0.66226%0.257SS*.  trans-94.3-27.8-175.3-59.6-71.9000113
58D85.7Confident86.2Confident51 Ų5146.7 Ų46.727%0.27326%0.258SS..SBendtrans-85.2137.6-178.763.4114.9000112.6R19 I60 G61 K62R19-D58 IonicContact CZ-OD1 3.69Å; R19-D58 IonicContact CZ-OD2 3.79Å; R19-D58 IonicContact NH1-OD1 2.67Å; R19-D58 IonicContact NH1-OD2 3.79Å; R19-D58 PolarHBondContact NH1-OD2 3.34Å; R19-D58 IonicContact NH2-OD1 2.91Å; R19-D58 PolarHBondContact NH2-OD1 3.33Å; R19-D58 IonicContact NH2-OD2 2.77Å; R19-D58 PolarHBondContact NH2-OD2 3.11Å; D58-I60 VanDerWaalsContact C-N 3.27Å; D58-I60 PolarHBondContact O-N 2.8Å; D58-G61 PolarHBondContact O-N 3.18Å; D58-G61 VanDerWaalsContact OD1-CA 3.3Å; D58-G61 WeakPolarHBondContact OD1-CA 3.4Å; D58-G61 PolarHBondContact OD1-N 2.85Å; D58-K62 PolarHBondContact O-N 3.19Å
59A85.5Confident85.9Confident79 Ų7946.4 Ų46.465%0.65326%0.257SS*.Hα-helixtrans-62.2-34.3-178.100000112.9K62 K63A59-K62 PolarHBondContact O-N 3.28Å; A59-K63 WeakPolarHBondContact O-CB 3.26Å; A59-K63 PolarHBondContact O-N 3.42Å
60I84.8Confident85.5Confident95 Ų9549.5 Ų49.549%0.48728%0.282SS..Hα-helixtrans-63.5-52.5176.4-61.4173.9000109.3E23 D58 K62 K63 T64E23-I60 HydrophobicContact CG-CG2 3.86Å; D58-I60 VanDerWaalsContact C-N 3.27Å; D58-I60 PolarHBondContact O-N 2.8Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.25Å; I60-K63 PolarHBondContact O-N 2.81Å; I60-K63 VanDerWaalsContact O-N 3.17Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 3.48Å; I60-T64 VanDerWaalsContact O-OG1 3.1Å
61G83.3Confident84.9Confident0 Ų056.9 Ų56.90%032%0.317CS..Hα-helixtrans-54.1-45.5176.400000112.9W25 D58 L65W25-G61 PolarHBondContact NE1-O 3.4Å; D58-G61 PolarHBondContact O-N 3.18Å; D58-G61 VanDerWaalsContact OD1-CA 3.3Å; D58-G61 WeakPolarHBondContact OD1-CA 3.4Å; D58-G61 PolarHBondContact OD1-N 2.85Å; G61-L65 WeakPolarHBondContact O-CB 3.4Å; G61-L65 PolarHBondContact O-N 3.09Å
62K85.9Confident84.3Confident47 Ų4759.1 Ų59.120%0.20433%0.328CS..Hα-helixtrans-61.5-48176.5-68.9-176-172.7172.40111.9V56 D58 A59 I60 L65 S66 F78 E80V56-K62 HydrophobicContact CB-CG 4.15Å; V56-K62 HydrophobicContact CG1-CG 3.88Å; V56-K62 WeakPolarHBondContact O-CE 3.38Å; D58-K62 PolarHBondContact O-N 3.19Å; A59-K62 PolarHBondContact O-N 3.28Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.25Å; K62-L65 PolarHBondContact O-N 3.1Å; K62-S66 WeakPolarHBondContact O-CB 3.47Å; K62-S66 PolarHBondContact O-N 2.78Å; K62-S66 PolarHBondContact O-OG 3.33Å; K62-F78 HydrophobicContact CB-CE1 4.3Å; K62-F78 HydrophobicContact CB-CE2 4Å; K62-F78 HydrophobicContact CB-CZ 3.82Å; K62-F78 HydrophobicContact CD-CD1 4.36Å; K62-F78 HydrophobicContact CD-CD2 4.15Å; K62-F78 HydrophobicContact CD-CE2 4.33Å; K62-F78 HydrophobicContact CD-CG 4.17Å; K62-F78 HydrophobicContact CG-CD1 4.1Å; K62-F78 HydrophobicContact CG-CD2 4.35Å; K62-F78 HydrophobicContact CG-CE1 3.85Å; K62-F78 HydrophobicContact CG-CE2 4.12Å; K62-F78 HydrophobicContact CG-CG 4.35Å; K62-F78 HydrophobicContact CG-CZ 3.86Å; K62-E80 IonicContact NZ-OE1 3.38Å; K62-E80 PolarHBondContact NZ-OE1 2.88Å
63K87Confident84.2Confident148 Ų14860.2 Ų60.264%0.64334%0.339SS*.Hα-helixtrans-61.5-48.8-179.4-176.1178.6179.4-177.90111.4A59 I60 L65 S66 I67A59-K63 WeakPolarHBondContact O-CB 3.26Å; A59-K63 PolarHBondContact O-N 3.42Å; I60-K63 PolarHBondContact O-N 2.81Å; I60-K63 VanDerWaalsContact O-N 3.17Å; K63-L65 PolarHBondContact O-N 2.76Å; K63-S66 PolarHBondContact O-N 2.94Å; K63-I67 HydrophobicContact CG-CD1 4Å; K63-I67 WeakPolarHBondContact O-CG1 3.34Å; K63-I67 PolarHBondContact O-N 2.79Å
64T85.7Confident84.5Confident32 Ų3258.5 Ų58.520%0.19632%0.321CS..Hα-helixtrans-62.5-44.5179.2-55.50000111E23 I60 S66 I67 T68E23-T64 WeakPolarHBondContact O-CG2 3.36Å; I60-T64 PolarHBondContact O-N 2.96Å; I60-T64 PolarHBondContact O-OG1 3.48Å; I60-T64 VanDerWaalsContact O-OG1 3.1Å; T64-S66 PolarHBondContact O-N 3.33Å; T64-I67 PolarHBondContact O-N 3.11Å; T64-T68 PolarHBondContact O-N 3.34Å; T64-T68 PolarHBondContact O-OG1 2.9Å; T64-T68 VanDerWaalsContact O-OG1 3.06Å
65L85.2Confident85.1Confident0 Ų057.4 Ų57.40%031%0.314CS..Hα-helixtrans-59.8-46.3177179.255.8000111.7A17 W25 F27 P52 V54 V56 G61 K62 K63 I67 T68 L69 F78A17-L65 HydrophobicContact CB-CD1 4.23Å; W25-L65 HydrophobicContact CD2-CD1 4.22Å; W25-L65 HydrophobicContact CE3-CD1 4.43Å; W25-L65 HydrophobicContact CG-CD1 4.38Å; W25-L65 HydrophobicContact CZ2-CD2 4.41Å; F27-L65 HydrophobicContact CE1-CD1 3.33Å; F27-L65 HydrophobicContact CZ-CD1 3.41Å; F27-L65 VanDerWaalsContact CZ-CD1 3.41Å; P52-L65 HydrophobicContact CB-CD2 4.11Å; P52-L65 HydrophobicContact CG-CD2 4.05Å; V54-L65 HydrophobicContact CG2-CD2 4.34Å; V56-L65 HydrophobicContact CG2-CD2 3.84Å; G61-L65 WeakPolarHBondContact O-CB 3.4Å; G61-L65 PolarHBondContact O-N 3.09Å; K62-L65 PolarHBondContact O-N 3.1Å; K63-L65 PolarHBondContact O-N 2.76Å; L65-I67 PolarHBondContact O-N 3.17Å; L65-T68 PolarHBondContact O-N 2.94Å; L65-L69 HydrophobicContact CD1-CD1 3.62Å; L65-L69 HydrophobicContact CD1-CG 3.93Å; L65-L69 HydrophobicContact CG-CD1 3.78Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.43Å; L65-L69 PolarHBondContact O-N 3.38Å; L65-F78 HydrophobicContact CD2-CE1 3.9Å; L65-F78 HydrophobicContact CD2-CZ 4.2Å
66S88.2Confident85.7Confident40 Ų4053.8 Ų53.828%0.2830%0.295SS..Hα-helixtrans-61.3-43.7177.4-63.40000112.8K62 K63 T64 L69 A70 P76K62-S66 WeakPolarHBondContact O-CB 3.47Å; K62-S66 PolarHBondContact O-N 2.78Å; K62-S66 PolarHBondContact O-OG 3.33Å; K63-S66 PolarHBondContact O-N 2.94Å; T64-S66 PolarHBondContact O-N 3.33Å; S66-L69 PolarHBondContact O-N 3.22Å; S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.11Å; S66-P76 VanDerWaalsContact OG-CG 3.22Å; S66-P76 WeakPolarHBondContact OG-CG 3.5Å
67I85.9Confident86.3Confident95 Ų9553.5 Ų53.549%0.48729%0.293SS..Hα-helixtrans-61.9-48.7178.6-68.4166.8000110.4K63 T64 L65 L69 A70 E71K63-I67 HydrophobicContact CG-CD1 4Å; K63-I67 WeakPolarHBondContact O-CG1 3.34Å; K63-I67 PolarHBondContact O-N 2.79Å; T64-I67 PolarHBondContact O-N 3.11Å; L65-I67 PolarHBondContact O-N 3.17Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.8Å; I67-A70 PolarHBondContact O-N 2.86Å; I67-E71 PolarHBondContact O-N 3.02Å
68T83.3Confident86.8Confident37 Ų3748.6 Ų48.623%0.22727%0.27CS..Hα-helixtrans-69.7-30.2-178.1-45.20000113F27 T64 L65F27-T68 HydrophobicContact CD2-CG2 3.76Å; F27-T68 HydrophobicContact CE2-CG2 3.25Å; F27-T68 HydrophobicContact CZ-CG2 4.08Å; T64-T68 PolarHBondContact O-N 3.34Å; T64-T68 PolarHBondContact O-OG1 2.9Å; T64-T68 VanDerWaalsContact O-OG1 3.06Å; L65-T68 PolarHBondContact O-N 2.94Å
69L85.7Confident87Confident0 Ų046.3 Ų46.30%026%0.258CS..Hα-helixtrans-72.4-35.8174-73.1173.3000112.3L13 V15 F27 P52 L65 S66 I67 E71 K72 G73 C74 P76L13-L69 HydrophobicContact CD1-CD1 3.68Å; L13-L69 HydrophobicContact CD1-CD2 4.24Å; V15-L69 HydrophobicContact CG1-CD2 4.47Å; V15-L69 HydrophobicContact CG2-CD2 3.72Å; F27-L69 HydrophobicContact CD1-CD2 3.9Å; F27-L69 HydrophobicContact CE1-CD2 3.61Å; F27-L69 HydrophobicContact CE1-CG 3.97Å; F27-L69 HydrophobicContact CZ-CD2 4.39Å; F27-L69 HydrophobicContact CZ-CG 4.37Å; P52-L69 HydrophobicContact CB-CD1 4.5Å; L65-L69 HydrophobicContact CD1-CD1 3.62Å; L65-L69 HydrophobicContact CD1-CG 3.93Å; L65-L69 HydrophobicContact CG-CD1 3.78Å; L65-L69 HydrophobicContact CG-CG 4.46Å; L65-L69 WeakPolarHBondContact O-CB 3.44Å; L65-L69 WeakPolarHBondContact O-CG 3.43Å; L65-L69 PolarHBondContact O-N 3.38Å; S66-L69 PolarHBondContact O-N 3.22Å; I67-L69 VanDerWaalsContact C-N 3.33Å; I67-L69 PolarHBondContact O-N 2.8Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 2.81Å; L69-K72 CarbonylContact O-C 3.56Å; L69-K72 WeakPolarHBondContact O-CA 3.44Å; L69-K72 PolarHBondContact O-N 2.86Å; L69-G73 PolarHBondContact O-N 2.78Å; L69-C74 CarbonylContact C-O 3.55Å; L69-C74 HydrophobicContact CB-CB 3.97Å; L69-C74 WeakPolarHBondContact CB-O 3.42Å; L69-C74 HydrophobicContact CD2-CB 4.1Å; L69-C74 WeakPolarHBondContact O-CB 3.47Å; L69-C74 PolarHBondContact O-N 3.5Å; L69-P76 HydrophobicContact CD1-CB 3.75Å; L69-P76 HydrophobicContact CD1-CG 3.9Å
70A86.1Confident87Confident64 Ų6446.5 Ų46.553%0.52925%0.245SC..Hα-helixtrans-60.9-35.8179.200000112.2S66 I67 K72 G73 C74S66-A70 WeakPolarHBondContact O-CB 3.47Å; S66-A70 PolarHBondContact O-N 3.11Å; I67-A70 PolarHBondContact O-N 2.86Å; A70-K72 PolarHBondContact O-N 2.71Å; A70-K72 VanDerWaalsContact O-N 3.12Å; A70-G73 PolarHBondContact O-N 3.23Å; A70-C74 PolarHBondContact N-O 3.41Å
71E81.8Confident87Confident156 Ų15650.5 Ų50.573%0.72926%0.262SS*.THydrogen-bonded Turntrans-59.4-21.9173.5-66.4177.2176.500113.2I67 L69I67-E71 PolarHBondContact O-N 3.02Å; L69-E71 VanDerWaalsContact C-N 3.26Å; L69-E71 PolarHBondContact O-N 2.81Å
72K78.5Confident87.3Confident83 Ų8351.1 Ų51.136%0.36127%0.265SS..THydrogen-bonded Turntrans-104.112.6177.8-58.9-170.5177.9-1720113M29 L69 A70 C74M29-K72 HydrophobicContact CE-CB 4.33Å; M29-K72 HydrophobicContact CE-CD 4.13Å; L69-K72 CarbonylContact O-C 3.56Å; L69-K72 WeakPolarHBondContact O-CA 3.44Å; L69-K72 PolarHBondContact O-N 2.86Å; A70-K72 PolarHBondContact O-N 2.71Å; A70-K72 VanDerWaalsContact O-N 3.12Å; K72-C74 PolarHBondContact O-N 3.15Å
73G86.2Confident87.4Confident25 Ų2549.4 Ų49.426%0.25826%0.26SS..THydrogen-bonded Turntrans66.721.3-175.500000113.6K47 W48 L69 A70K47-G73 CarbonylContact C-O 3.54Å; K47-G73 WeakPolarHBondContact CA-O 3.5Å; W48-G73 PolarHBondContact N-O 2.97Å; L69-G73 PolarHBondContact O-N 2.78Å; A70-G73 PolarHBondContact O-N 3.23Å
74C90.1Very high87.4Confident4 Ų446.6 Ų46.63%0.02725%0.252CS..EExtended strand (participates in β ladder)trans-106.6140.8179.5-66.80000110.9L13 W48 L69 A70 K72L13-C74 HydrophobicContact CD1-CB 4.21Å; L13-C74 HydrophobicContact CD2-CB 4.05Å; W48-C74 CarbonylContact O-C 3.45Å; W48-C74 WeakPolarHBondContact O-CA 3.47Å; L69-C74 CarbonylContact C-O 3.55Å; L69-C74 HydrophobicContact CB-CB 3.97Å; L69-C74 WeakPolarHBondContact CB-O 3.42Å; L69-C74 HydrophobicContact CD2-CB 4.1Å; L69-C74 WeakPolarHBondContact O-CB 3.47Å; L69-C74 PolarHBondContact O-N 3.5Å; A70-C74 PolarHBondContact N-O 3.41Å; K72-C74 PolarHBondContact O-N 3.15Å
75I93.5Very high87.6Confident14 Ų1448 Ų487%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-125.1114.7-178.9-61.7160.8000107.7K47 W48 I49 G50 V133 H137K47-I75 HydrophobicContact CB-CD1 4Å; K47-I75 HydrophobicContact CD-CD1 4.17Å; W48-I75 PolarHBondContact O-N 3.09Å; I49-I75 WeakPolarHBondContact CA-O 3.41Å; I49-I75 HydrophobicContact CD1-CD1 4.29Å; I49-I75 HydrophobicContact CG1-CB 3.89Å; I49-I75 HydrophobicContact CG1-CD1 3.76Å; I49-I75 HydrophobicContact CG1-CG1 4.42Å; I49-I75 HydrophobicContact CG1-CG2 4.24Å; G50-I75 PolarHBondContact N-O 3.33Å; G50-I75 VanDerWaalsContact N-O 3.12Å; I75-V133 HydrophobicContact CG2-CG1 3.48Å; I75-V133 VanDerWaalsContact CG2-CG1 3.48Å; I75-H137 HydrophobicContact CD1-CB 4.02Å; I75-H137 VanDerWaalsContact CD1-CD2 3.4Å; I75-H137 WeakPolarHBondContact CD1-CD2 3.41Å; I75-H137 VanDerWaalsContact CG2-CE1 3.46Å; I75-H137 WeakPolarHBondContact CG2-CE1 3.48Å
76P94Very high88Confident11 Ų1148 Ų487%0.07126%0.256CS..EExtended strand (participates in β ladder)trans-77.1143-176.830.2-33.8000112.9L13 G50 P52 S66 L69 F78L13-P76 HydrophobicContact CD1-CB 4.36Å; G50-P76 CarbonylContact O-C 3.58Å; G50-P76 WeakPolarHBondContact O-CA 3.39Å; P52-P76 HydrophobicContact CG-CB 4.28Å; S66-P76 VanDerWaalsContact OG-CG 3.22Å; S66-P76 WeakPolarHBondContact OG-CG 3.5Å; L69-P76 HydrophobicContact CD1-CB 3.75Å; L69-P76 HydrophobicContact CD1-CG 3.9Å; P76-F78 HydrophobicContact CB-CE1 4.37Å; P76-F78 HydrophobicContact CB-CE2 4.05Å; P76-F78 HydrophobicContact CB-CZ 3.86Å; P76-F78 HydrophobicContact CG-CE2 3.83Å; P76-F78 HydrophobicContact CG-CZ 3.82Å
77V94.3Very high88.1Confident0 Ų048.6 Ų48.60%025%0.252CS..  trans-108.5118.3168.5-1790000108.1I49 G50 W51 P52 L79 I129 F130 V133I49-V77 HydrophobicContact CG2-CG2 3.51Å; G50-V77 PolarHBondContact O-N 2.94Å; W51-V77 WeakPolarHBondContact CA-O 3.35Å; P52-V77 WeakPolarHBondContact CD-O 3.45Å; V77-L79 HydrophobicContact CG1-CD2 4Å; V77-L79 HydrophobicContact CG1-CG 4.43Å; V77-I129 HydrophobicContact CG1-CG2 3.8Å; V77-F130 HydrophobicContact CB-CD1 4.42Å; V77-F130 HydrophobicContact CB-CE1 4.17Å; V77-F130 HydrophobicContact CB-CZ 4.39Å; V77-F130 HydrophobicContact CG1-CD1 4.18Å; V77-F130 HydrophobicContact CG1-CD2 4.2Å; V77-F130 HydrophobicContact CG1-CE1 4.19Å; V77-F130 HydrophobicContact CG1-CE2 4.17Å; V77-F130 HydrophobicContact CG1-CG 4.18Å; V77-F130 HydrophobicContact CG1-CZ 4.16Å; V77-F130 HydrophobicContact CG2-CD1 3.79Å; V77-F130 HydrophobicContact CG2-CE1 3.82Å; V77-F130 HydrophobicContact CG2-CG 4.49Å; V77-V133 HydrophobicContact CG2-CB 4.26Å; V77-V133 HydrophobicContact CG2-CG1 4.16Å; V77-V133 HydrophobicContact CG2-CG2 4.22Å
78F93.2Very high88.1Confident40 Ų4046.1 Ų46.118%0.17524%0.24CC..  trans-95.3112.5-179.9-62.6-72.6000110.2P52 V56 K62 L65 P76P52-F78 HydrophobicContact CG-CE1 4.31Å; V56-F78 HydrophobicContact CB-CE1 4.23Å; V56-F78 HydrophobicContact CG2-CE1 4.36Å; K62-F78 HydrophobicContact CB-CE1 4.3Å; K62-F78 HydrophobicContact CB-CE2 4Å; K62-F78 HydrophobicContact CB-CZ 3.82Å; K62-F78 HydrophobicContact CD-CD1 4.36Å; K62-F78 HydrophobicContact CD-CD2 4.15Å; K62-F78 HydrophobicContact CD-CE2 4.33Å; K62-F78 HydrophobicContact CD-CG 4.17Å; K62-F78 HydrophobicContact CG-CD1 4.1Å; K62-F78 HydrophobicContact CG-CD2 4.35Å; K62-F78 HydrophobicContact CG-CE1 3.85Å; K62-F78 HydrophobicContact CG-CE2 4.12Å; K62-F78 HydrophobicContact CG-CG 4.35Å; K62-F78 HydrophobicContact CG-CZ 3.86Å; L65-F78 HydrophobicContact CD2-CE1 3.9Å; L65-F78 HydrophobicContact CD2-CZ 4.2Å; P76-F78 HydrophobicContact CB-CE1 4.37Å; P76-F78 HydrophobicContact CB-CE2 4.05Å; P76-F78 HydrophobicContact CB-CZ 3.86Å; P76-F78 HydrophobicContact CG-CE2 3.83Å; P76-F78 HydrophobicContact CG-CZ 3.82Å
79L89.6Confident88.4Confident3 Ų344.6 Ų44.62%0.01623%0.231CC..  trans-95-25.1-174.6-64.1173.8000113.9M11 W51 V77 E81 V82 C83 Y86 A126 F130M11-L79 HydrophobicContact CE-CD1 3.81Å; W51-L79 HydrophobicContact CB-CD1 4.07Å; W51-L79 HydrophobicContact CG-CD1 3.99Å; V77-L79 HydrophobicContact CG1-CD2 4Å; V77-L79 HydrophobicContact CG1-CG 4.43Å; L79-E81 PolarHBondContact O-N 2.85Å; L79-V82 WeakPolarHBondContact O-CB 3.41Å; L79-V82 PolarHBondContact O-N 2.86Å; L79-V82 VanDerWaalsContact O-N 3.15Å; L79-C83 HydrophobicContact CB-CB 3.88Å; L79-Y86 HydrophobicContact CD1-CD1 3.9Å; L79-Y86 HydrophobicContact CD1-CE1 3.82Å; L79-A126 HydrophobicContact CD2-CB 4.11Å; L79-F130 HydrophobicContact CD2-CD2 4.5Å; L79-F130 HydrophobicContact CD2-CE2 4.05Å
80E85.4Confident88.7Confident83 Ų8344.6 Ų44.639%0.38823%0.231SC..G310 helixtrans48.1-129.6176.4-58176-158.800112.6K62 V82 C83K62-E80 IonicContact NZ-OE1 3.38Å; K62-E80 PolarHBondContact NZ-OE1 2.88Å; E80-V82 PolarHBondContact O-N 3.1Å; E80-V82 VanDerWaalsContact O-N 3.1Å; E80-C83 WeakPolarHBondContact O-CB 3.5Å; E80-C83 PolarHBondContact O-N 2.85Å; E80-C83 VanDerWaalsContact O-N 3.09Å
81E84Confident89Confident178 Ų17841.5 Ų41.583%0.83221%0.206SC*.G310 helixtrans-60.3-22-176.1-59.8-179.5168.700113.9L79 C83L79-E81 PolarHBondContact O-N 2.85Å; E81-C83 VanDerWaalsContact C-N 3.32Å
82V89.7Confident89.4Confident13 Ų1334.2 Ų34.28%0.07917%0.172CC..G310 helixtrans-78.6-22.4-178.5-171.60000111.3L79 E80 D84 Q85 Y86 A122 K125 A126L79-V82 WeakPolarHBondContact O-CB 3.41Å; L79-V82 PolarHBondContact O-N 2.86Å; L79-V82 VanDerWaalsContact O-N 3.15Å; E80-V82 PolarHBondContact O-N 3.1Å; E80-V82 VanDerWaalsContact O-N 3.1Å; V82-D84 VanDerWaalsContact C-N 3.33Å; V82-D84 PolarHBondContact O-N 3.5Å; V82-Q85 PolarHBondContact O-N 2.9Å; V82-Y86 VanDerWaalsContact O-CB 3.22Å; V82-Y86 WeakPolarHBondContact O-CB 3.43Å; V82-Y86 PolarHBondContact O-N 3.35Å; V82-A122 HydrophobicContact CG1-CB 3.85Å; V82-A122 WeakPolarHBondContact CG1-O 3.3Å; V82-K125 HydrophobicContact CG1-CB 4.31Å; V82-K125 HydrophobicContact CG1-CG 4.48Å; V82-K125 HydrophobicContact CG2-CD 3.54Å; V82-K125 HydrophobicContact CG2-CG 4.06Å; V82-A126 HydrophobicContact CG1-CB 4.25Å
83C88.3Confident89.8Confident12 Ų1231 Ų318%0.08116%0.159CC..Hα-helixtrans-53.4-45.8-169.4-170.50000112.7L79 E80 E81 Y87L79-C83 HydrophobicContact CB-CB 3.88Å; E80-C83 WeakPolarHBondContact O-CB 3.5Å; E80-C83 PolarHBondContact O-N 2.85Å; E80-C83 VanDerWaalsContact O-N 3.09Å; E81-C83 VanDerWaalsContact C-N 3.32Å; C83-Y87 VanDerWaalsContact O-CB 3.23Å; C83-Y87 WeakPolarHBondContact O-CB 3.47Å; C83-Y87 PolarHBondContact O-N 3.25Å
84D88Confident90Very high89 Ų8930.3 Ų30.348%0.47615%0.149SC..Iπ-helixtrans-66.9-54.6-175.4-173.662.4000112.8V82 Y86 N88 G89V82-D84 VanDerWaalsContact C-N 3.33Å; V82-D84 PolarHBondContact O-N 3.5Å; D84-Y86 PolarHBondContact O-N 3.3Å; D84-N88 WeakPolarHBondContact O-CA 3.32Å; D84-N88 WeakPolarHBondContact O-CB 3.25Å; D84-N88 PolarHBondContact O-N 3.22Å; D84-N88 PolarHBondContact OD1-ND2 3.29Å; D84-G89 PolarHBondContact O-N 3.2Å
85Q89.9Confident90.2Very high61 Ų6130.1 Ų30.129%0.28515%0.148SC..Iπ-helixtrans-65.8-27.3179.4-71.4-165.954.500112.9V82 G89 Y90 S118 A122V82-Q85 PolarHBondContact O-N 2.9Å; Q85-G89 CarbonylContact O-C 3.55Å; Q85-G89 VanDerWaalsContact O-CA 3.3Å; Q85-G89 WeakPolarHBondContact O-CA 3.34Å; Q85-Y90 PolarHBondContact O-N 2.75Å; Q85-S118 VanDerWaalsContact OE1-CB 3.31Å; Q85-S118 PolarHBondContact OE1-OG 2.94Å; Q85-A122 HydrophobicContact CB-CB 3.58Å
86Y93Very high90.2Very high0 Ų029.9 Ų29.90%015%0.146CC..Iπ-helixtrans-77.3-59174.7162.5-120.4000112.8M11 L79 V82 D84 Y90 C91 Y123 A126 F130 H150M11-Y86 HydrophobicContact CE-CD1 4.37Å; M11-Y86 HydrophobicContact CE-CE1 3.8Å; M11-Y86 HydrophobicContact SD-CE1 3.47Å; M11-Y86 WeakPolarHBondContact SD-CE1 3.19Å; L79-Y86 HydrophobicContact CD1-CD1 3.9Å; L79-Y86 HydrophobicContact CD1-CE1 3.82Å; V82-Y86 VanDerWaalsContact O-CB 3.22Å; V82-Y86 WeakPolarHBondContact O-CB 3.43Å; V82-Y86 PolarHBondContact O-N 3.35Å; D84-Y86 PolarHBondContact O-N 3.3Å; Y86-Y90 PolarHBondContact O-N 3.05Å; Y86-C91 WeakPolarHBondContact CE2-SG 3.44Å; Y86-C91 WeakPolarHBondContact O-CB 3.27Å; Y86-C91 PolarHBondContact O-N 2.97Å; Y86-C91 PolarHBondContact O-SG 2.73Å; Y86-Y123 AromaticContact CD2-CD2 3.55Å; Y86-Y123 HydrophobicContact CD2-CD2 3.55Å; Y86-Y123 HydrophobicContact CD2-CE2 4.31Å; Y86-Y123 HydrophobicContact CD2-CG 4.25Å; Y86-Y123 AromaticContact CE2-CD2 3.47Å; Y86-Y123 HydrophobicContact CE2-CD2 3.47Å; Y86-Y123 VanDerWaalsContact CE2-CD2 3.47Å; Y86-Y123 AromaticContact CE2-CE2 3.78Å; Y86-Y123 HydrophobicContact CE2-CE2 3.78Å; Y86-Y123 HydrophobicContact CE2-CG 4.37Å; Y86-A126 HydrophobicContact CD1-CB 3.58Å; Y86-A126 HydrophobicContact CD2-CB 3.5Å; Y86-A126 VanDerWaalsContact CD2-CB 3.5Å; Y86-A126 HydrophobicContact CE1-CB 3.79Å; Y86-A126 HydrophobicContact CE2-CB 3.71Å; Y86-A126 HydrophobicContact CG-CB 3.39Å; Y86-F130 HydrophobicContact CE1-CE2 4.18Å; Y86-H150 WeakPolarHBondContact OH-CB 3.41Å; Y86-H150 PolarHBondContact OH-O 3.22Å; Y86-H150 VanDerWaalsContact OH-O 3.07Å
87Y90.3Very high90.1Very high53 Ų5330.2 Ų30.221%0.20815%0.148CC..Iπ-helixtrans-80.7-54.9-171179.3-112.1000111.6M11 C83 C91 N92 H150M11-Y87 HydrophobicContact CE-CD2 3.41Å; M11-Y87 VanDerWaalsContact CE-CD2 3.41Å; M11-Y87 HydrophobicContact CE-CE2 4.09Å; M11-Y87 HydrophobicContact CE-CG 3.78Å; M11-Y87 HydrophobicContact CG-CD2 4Å; M11-Y87 HydrophobicContact CG-CE2 3.95Å; M11-Y87 HydrophobicContact SD-CD2 3.9Å; M11-Y87 HydrophobicContact SD-CE2 4.46Å; C83-Y87 VanDerWaalsContact O-CB 3.23Å; C83-Y87 WeakPolarHBondContact O-CB 3.47Å; C83-Y87 PolarHBondContact O-N 3.25Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; Y87-N92 WeakPolarHBondContact CE1-ND2 3.27Å; Y87-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y87-N92 VanDerWaalsContact CZ-ND2 3.31Å; Y87-N92 VanDerWaalsContact O-CB 3.27Å; Y87-N92 WeakPolarHBondContact O-CB 3.37Å; Y87-N92 PolarHBondContact O-N 3.05Å; Y87-N92 PolarHBondContact O-ND2 3.26Å; Y87-H150 AromaticContact CE2-NE2 3.84Å
88N86.5Confident90.1Very high43 Ų4330.2 Ų30.223%0.2315%0.148CC..Iπ-helixtrans-75.3-40.7178.9-65.4-36.2000111.2D84 N93D84-N88 WeakPolarHBondContact O-CA 3.32Å; D84-N88 WeakPolarHBondContact O-CB 3.25Å; D84-N88 PolarHBondContact O-N 3.22Å; D84-N88 PolarHBondContact OD1-ND2 3.29Å; N88-N93 WeakPolarHBondContact O-CB 3.32Å; N88-N93 PolarHBondContact O-N 2.97Å
89G88.4Confident90.2Very high4 Ų428.3 Ų28.34%0.04114%0.14CC..Iπ-helixtrans-71.3-90.4177.200000112.7D84 Q85 C91 N93 I94D84-G89 PolarHBondContact O-N 3.2Å; Q85-G89 CarbonylContact O-C 3.55Å; Q85-G89 VanDerWaalsContact O-CA 3.3Å; Q85-G89 WeakPolarHBondContact O-CA 3.34Å; G89-C91 PolarHBondContact O-N 3.43Å; G89-N93 VanDerWaalsContact O-CA 3.31Å; G89-N93 WeakPolarHBondContact O-CA 3.44Å; G89-N93 WeakPolarHBondContact O-CB 3.39Å; G89-N93 PolarHBondContact O-N 3.3Å; G89-I94 PolarHBondContact O-N 3.37Å
90Y92Very high90.5Very high0 Ų028.5 Ų28.50%014%0.14CC..Iπ-helixtrans-64.4-45.8-168.9-163.8-92.2000113.9Q85 Y86 I94 L95 Y116 Q119 Y120 Y123 S186Q85-Y90 PolarHBondContact O-N 2.75Å; Y86-Y90 PolarHBondContact O-N 3.05Å; Y90-I94 HydrophobicContact CD2-CD1 3.69Å; Y90-I94 HydrophobicContact CE2-CD1 4.19Å; Y90-I94 HydrophobicContact CG-CD1 4.43Å; Y90-I94 VanDerWaalsContact O-CB 3.31Å; Y90-I94 WeakPolarHBondContact O-CB 3.37Å; Y90-I94 PolarHBondContact O-N 2.9Å; Y90-L95 HydrophobicContact CD1-CD1 3.87Å; Y90-L95 HydrophobicContact CD1-CG 3.91Å; Y90-L95 HydrophobicContact CE1-CD1 3.66Å; Y90-L95 HydrophobicContact CE1-CD2 3.93Å; Y90-L95 HydrophobicContact CE1-CG 3.68Å; Y90-L95 PolarHBondContact O-N 2.97Å; Y90-Y116 HydrophobicContact CE2-CE2 4.29Å; Y90-Q119 HydrophobicContact CD2-CB 4.25Å; Y90-Y120 HydrophobicContact CD2-CD2 4.37Å; Y90-Y120 HydrophobicContact CE1-CD2 4.39Å; Y90-Y120 AromaticContact CE2-CD2 3.56Å; Y90-Y120 HydrophobicContact CE2-CD2 3.56Å; Y90-Y120 HydrophobicContact CE2-CG 4.04Å; Y90-Y120 AromaticContact CZ-CD2 3.55Å; Y90-Y120 WeakPolarHBondContact OH-CD2 3.48Å; Y90-Y123 HydrophobicContact CD1-CD1 4.03Å; Y90-Y123 AromaticContact CD1-CD2 3.15Å; Y90-Y123 HydrophobicContact CD1-CD2 3.15Å; Y90-Y123 HydrophobicContact CD1-CE1 4.48Å; Y90-Y123 AromaticContact CD1-CE2 3.71Å; Y90-Y123 HydrophobicContact CD1-CE2 3.71Å; Y90-Y123 AromaticContact CD1-CG 3.35Å; Y90-Y123 HydrophobicContact CD1-CG 3.35Å; Y90-Y123 AromaticContact CE1-CD1 3.76Å; Y90-Y123 HydrophobicContact CE1-CD1 3.76Å; Y90-Y123 AromaticContact CE1-CD2 3.69Å; Y90-Y123 HydrophobicContact CE1-CD2 3.69Å; Y90-Y123 HydrophobicContact CE1-CE1 4.03Å; Y90-Y123 AromaticContact CE1-CE2 3.97Å; Y90-Y123 HydrophobicContact CE1-CE2 3.97Å; Y90-Y123 AromaticContact CE1-CG 3.58Å; Y90-Y123 HydrophobicContact CE1-CG 3.58Å; Y90-Y123 AromaticContact CG-CD2 3.98Å; Y90-Y123 HydrophobicContact CG-CD2 3.98Å; Y90-Y123 AromaticContact CG-CG 3.98Å; Y90-Y123 HydrophobicContact CG-CG 3.98Å; Y90-S186 WeakPolarHBondContact OH-CB 3.24Å; Y90-S186 PolarHBondContact OH-OG 3.47Å
91C93.3Very high90.9Very high0 Ų028 Ų280%014%0.136CC..Iπ-helixtrans-68.9-55.4-176.8-64.40000112Y86 Y87 G89 W96 Y149Y86-C91 WeakPolarHBondContact CE2-SG 3.44Å; Y86-C91 WeakPolarHBondContact O-CB 3.27Å; Y86-C91 PolarHBondContact O-N 2.97Å; Y86-C91 PolarHBondContact O-SG 2.73Å; Y87-C91 WeakPolarHBondContact O-CB 3.4Å; G89-C91 PolarHBondContact O-N 3.43Å; C91-W96 WeakPolarHBondContact O-CB 3.42Å; C91-W96 PolarHBondContact O-N 3.01Å; C91-Y149 HydrophobicContact CB-CD2 4.31Å; C91-Y149 HydrophobicContact CB-CE2 3.89Å
92N89.2Confident91.1Very high3 Ų323.6 Ų23.62%0.01612%0.117CC..Iπ-helixtrans-91.4-20.5-171-64.7-32.6000114.4Y87 P97 Y149 R318 I321Y87-N92 WeakPolarHBondContact CE1-ND2 3.27Å; Y87-N92 WeakPolarHBondContact CE2-ND2 3.48Å; Y87-N92 VanDerWaalsContact CZ-ND2 3.31Å; Y87-N92 VanDerWaalsContact O-CB 3.27Å; Y87-N92 WeakPolarHBondContact O-CB 3.37Å; Y87-N92 PolarHBondContact O-N 3.05Å; Y87-N92 PolarHBondContact O-ND2 3.26Å; N92-P97 WeakPolarHBondContact O-CD 3.44Å; N92-Y149 PolarHBondContact OD1-OH 2.85Å; N92-R318 VanDerWaalsContact CG-CZ 3.43Å; N92-R318 VanDerWaalsContact CG-NE 3.32Å; N92-R318 PolarHBondContact ND2-NE 2.86Å; N92-R318 PolarHBondContact OD1-NE 2.94Å; N92-R318 PolarHBondContact OD1-NH1 3.3Å; N92-R318 PolarHBondContact OD1-NH2 3.33Å; N92-I321 HydrophobicContact CB-CD1 3.58Å
93N86.1Confident90.6Very high14 Ų1423.9 Ų23.98%0.07512%0.123CC..Iπ-helixtrans-102.2-21.9177.7-168.464.8000113.1N88 G89 P97 P105 Y108N88-N93 WeakPolarHBondContact O-CB 3.32Å; N88-N93 PolarHBondContact O-N 2.97Å; G89-N93 VanDerWaalsContact O-CA 3.31Å; G89-N93 WeakPolarHBondContact O-CA 3.44Å; G89-N93 WeakPolarHBondContact O-CB 3.39Å; G89-N93 PolarHBondContact O-N 3.3Å; N93-P97 WeakPolarHBondContact O-CG 3.33Å; N93-P105 VanDerWaalsContact O-CD 3.27Å; N93-P105 WeakPolarHBondContact O-CD 3.45Å; N93-P105 WeakPolarHBondContact O-CG 3.12Å; N93-P105 WeakPolarHBondContact OD1-CG 3.5Å; N93-Y108 VanDerWaalsContact CG-OH 3.27Å; N93-Y108 WeakPolarHBondContact ND2-CE2 3.43Å; N93-Y108 PolarHBondContact ND2-OH 2.64Å; N93-Y108 PolarHBondContact OD1-OH 3.16Å
94I90.6Very high89.6Confident11 Ų1127.4 Ų27.46%0.05614%0.144CC..Iπ-helixtrans-109.6-64.5177.2-60.6170.4000111.8G89 Y90 P97 I98 Y116 Q119 L184G89-I94 PolarHBondContact O-N 3.37Å; Y90-I94 HydrophobicContact CD2-CD1 3.69Å; Y90-I94 HydrophobicContact CE2-CD1 4.19Å; Y90-I94 HydrophobicContact CG-CD1 4.43Å; Y90-I94 VanDerWaalsContact O-CB 3.31Å; Y90-I94 WeakPolarHBondContact O-CB 3.37Å; Y90-I94 PolarHBondContact O-N 2.9Å; I94-P97 WeakPolarHBondContact O-CD 3.38Å; I94-I98 HydrophobicContact CG2-CD1 3.89Å; I94-I98 WeakPolarHBondContact O-CD1 3.03Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 2.93Å; I94-Y116 HydrophobicContact CD1-CD2 3.61Å; I94-Y116 HydrophobicContact CD1-CE2 3.86Å; I94-Y116 HydrophobicContact CG2-CE2 4.22Å; I94-Q119 HydrophobicContact CD1-CB 4.41Å; I94-Q119 VanDerWaalsContact CD1-OE1 3.22Å; I94-L184 HydrophobicContact CG2-CD1 3.7Å
95L94.6Very high88.5Confident0 Ų025 Ų250%013%0.134CC..Iπ-helixtrans-65.9-46.7-172.9-66.1-179000112.1Y90 I98 F99 Y123 Y149 M152 L184 L190Y90-L95 HydrophobicContact CD1-CD1 3.87Å; Y90-L95 HydrophobicContact CD1-CG 3.91Å; Y90-L95 HydrophobicContact CE1-CD1 3.66Å; Y90-L95 HydrophobicContact CE1-CD2 3.93Å; Y90-L95 HydrophobicContact CE1-CG 3.68Å; Y90-L95 PolarHBondContact O-N 2.97Å; L95-I98 PolarHBondContact O-N 2.76Å; L95-F99 HydrophobicContact CD2-CE1 4.29Å; L95-F99 HydrophobicContact CD2-CZ 4.31Å; L95-F99 WeakPolarHBondContact O-CB 3.47Å; L95-F99 WeakPolarHBondContact O-CD1 3.48Å; L95-F99 WeakPolarHBondContact O-CG 3.32Å; L95-F99 PolarHBondContact O-N 3.4Å; L95-Y123 HydrophobicContact CD1-CE2 3.95Å; L95-Y149 HydrophobicContact CB-CD2 3.96Å; L95-Y149 HydrophobicContact CD1-CD2 4.12Å; L95-Y149 VanDerWaalsContact CD1-O 3.23Å; L95-Y149 WeakPolarHBondContact CD1-O 3.44Å; L95-M152 HydrophobicContact CD1-SD 4.4Å; L95-L184 HydrophobicContact CD2-CD1 4.36Å; L95-L184 HydrophobicContact CD2-CD2 3.96Å; L95-L190 HydrophobicContact CD2-CD1 3.83Å
96W93.1Very high87.1Confident10 Ų1027.5 Ų27.54%0.03816%0.155CC..Hα-helixtrans-58.2-51.5-178178.2-87.5000112.7C91 I98 F99 H100 Y149 T173 D282 I284 R318 Y324C91-W96 WeakPolarHBondContact O-CB 3.42Å; C91-W96 PolarHBondContact O-N 3.01Å; W96-I98 PolarHBondContact O-N 2.79Å; W96-F99 PolarHBondContact O-N 2.88Å; W96-H100 AromaticContact CD2-CE1 3.54Å; W96-H100 AromaticContact CD2-ND1 3.7Å; W96-H100 AromaticContact CE2-CE1 3.71Å; W96-H100 AromaticContact CE2-ND1 3.87Å; W96-H100 AromaticContact CE3-CE1 3.52Å; W96-H100 AromaticContact CG-ND1 3.94Å; W96-H100 AromaticContact CH2-CE1 3.85Å; W96-H100 AromaticContact CZ2-CE1 3.89Å; W96-H100 AromaticContact CZ3-CE1 3.69Å; W96-H100 PolarHBondContact O-N 2.84Å; W96-H100 VanDerWaalsContact O-N 3.16Å; W96-H100 PolarHBondContact O-ND1 2.96Å; W96-Y149 AromaticContact CE3-CE1 3.72Å; W96-Y149 HydrophobicContact CE3-CE1 3.72Å; W96-Y149 HydrophobicContact CE3-CE2 4.48Å; W96-Y149 AromaticContact CE3-CZ 3.55Å; W96-Y149 AromaticContact CZ3-CE1 3.98Å; W96-Y149 HydrophobicContact CZ3-CE1 3.98Å; W96-T173 HydrophobicContact CE3-CG2 4.03Å; W96-T173 HydrophobicContact CZ3-CG2 3.72Å; W96-D282 VanDerWaalsContact CZ2-OD2 3.25Å; W96-D282 WeakPolarHBondContact CZ2-OD2 3.35Å; W96-D282 PolarHBondContact NE1-OD1 2.9Å; W96-I284 HydrophobicContact CH2-CD1 3.99Å; W96-I284 HydrophobicContact CZ2-CD1 3.46Å; W96-I284 VanDerWaalsContact CZ2-CD1 3.46Å; W96-I284 HydrophobicContact CZ2-CG1 4.08Å; W96-R318 VanDerWaalsContact CG-NH1 3.32Å; W96-Y324 PolarHBondContact NE1-OH 3.38Å
97P92.2Very high85.4Confident17 Ų1736.1 Ų36.111%0.1120%0.195CC..Hα-helixtrans-59-44.8175.4-29.639.3000114.1N92 N93 I94 F99 H100 Y101 L102 G103N92-P97 WeakPolarHBondContact O-CD 3.44Å; N93-P97 WeakPolarHBondContact O-CG 3.33Å; I94-P97 WeakPolarHBondContact O-CD 3.38Å; P97-F99 PolarHBondContact O-N 2.83Å; P97-H100 CarbonylContact O-C 3.49Å; P97-H100 PolarHBondContact O-N 3.4Å; P97-Y101 PolarHBondContact O-N 3.24Å; P97-Y101 VanDerWaalsContact O-N 3.13Å; P97-L102 HydrophobicContact CB-CB 4.05Å; P97-L102 PolarHBondContact O-N 3.26Å; P97-G103 VanDerWaalsContact CB-O 3.22Å; P97-G103 WeakPolarHBondContact CB-O 3.49Å
98I94.2Very high83.6Confident1 Ų139 Ų391%0.00521%0.207CC..Hα-helixtrans-63.3-45.4-179.2-67171.5000110.7I94 L95 W96 H100 Y101 T104 P176 M180 L184I94-I98 HydrophobicContact CG2-CD1 3.89Å; I94-I98 WeakPolarHBondContact O-CD1 3.03Å; I94-I98 VanDerWaalsContact O-CG1 3.29Å; I94-I98 WeakPolarHBondContact O-CG1 3.46Å; I94-I98 PolarHBondContact O-N 2.93Å; L95-I98 PolarHBondContact O-N 2.76Å; W96-I98 PolarHBondContact O-N 2.79Å; I98-H100 PolarHBondContact O-N 2.92Å; I98-Y101 PolarHBondContact O-N 2.78Å; I98-Y101 VanDerWaalsContact O-N 3.15Å; I98-T104 HydrophobicContact CD1-CG2 4.11Å; I98-T104 HydrophobicContact CG1-CG2 4.33Å; I98-P176 HydrophobicContact CG2-CG 4.36Å; I98-M180 HydrophobicContact CG2-CG 4.12Å; I98-M180 HydrophobicContact CG2-SD 4.49Å; I98-M180 VanDerWaalsContact O-CG 3.31Å; I98-M180 WeakPolarHBondContact O-CG 3.5Å; I98-L184 HydrophobicContact CD1-CB 4.18Å; I98-L184 HydrophobicContact CD1-CD1 3.94Å
99F96.3Very high81.9Confident0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-67.7-24.3-177.9-74.816000112.2L95 W96 P97 M152 L171 P176 Y181L95-F99 HydrophobicContact CD2-CE1 4.29Å; L95-F99 HydrophobicContact CD2-CZ 4.31Å; L95-F99 WeakPolarHBondContact O-CB 3.47Å; L95-F99 WeakPolarHBondContact O-CD1 3.48Å; L95-F99 WeakPolarHBondContact O-CG 3.32Å; L95-F99 PolarHBondContact O-N 3.4Å; W96-F99 PolarHBondContact O-N 2.88Å; P97-F99 PolarHBondContact O-N 2.83Å; F99-M152 HydrophobicContact CE2-SD 4.07Å; F99-M152 HydrophobicContact CZ-CE 4.12Å; F99-M152 HydrophobicContact CZ-SD 3.79Å; F99-L171 HydrophobicContact CD2-CD1 4.35Å; F99-L171 HydrophobicContact CD2-CD2 4.41Å; F99-L171 HydrophobicContact CE2-CD1 4.09Å; F99-L171 HydrophobicContact CE2-CD2 4.32Å; F99-P176 HydrophobicContact CD1-CG 3.83Å; F99-P176 HydrophobicContact CE1-CG 4.38Å; F99-Y181 AromaticContact CE1-CD2 3.99Å; F99-Y181 HydrophobicContact CE1-CD2 3.99Å; F99-Y181 AromaticContact CE1-CE2 3.74Å; F99-Y181 HydrophobicContact CE1-CE2 3.74Å; F99-Y181 HydrophobicContact CZ-CE2 4.14Å
100H95.3Very high80.1Confident6 Ų655.8 Ų55.83%0.02828%0.278CS..THydrogen-bonded Turntrans-101.917176.3-61.490.2000114W96 P97 I98 L102 P174 I284 R378W96-H100 AromaticContact CD2-CE1 3.54Å; W96-H100 AromaticContact CD2-ND1 3.7Å; W96-H100 AromaticContact CE2-CE1 3.71Å; W96-H100 AromaticContact CE2-ND1 3.87Å; W96-H100 AromaticContact CE3-CE1 3.52Å; W96-H100 AromaticContact CG-ND1 3.94Å; W96-H100 AromaticContact CH2-CE1 3.85Å; W96-H100 AromaticContact CZ2-CE1 3.89Å; W96-H100 AromaticContact CZ3-CE1 3.69Å; W96-H100 PolarHBondContact O-N 2.84Å; W96-H100 VanDerWaalsContact O-N 3.16Å; W96-H100 PolarHBondContact O-ND1 2.96Å; P97-H100 CarbonylContact O-C 3.49Å; P97-H100 PolarHBondContact O-N 3.4Å; I98-H100 PolarHBondContact O-N 2.92Å; H100-L102 HydrophobicContact CB-CG 4.46Å; H100-L102 PolarHBondContact O-N 3.04Å; H100-P174 VanDerWaalsContact NE2-CD 3.29Å; H100-P174 WeakPolarHBondContact NE2-CD 3.4Å; H100-I284 HydrophobicContact CB-CG2 3.6Å; H100-R378 HydrophobicContact CB-CB 4.43Å; H100-R378 PolarHBondContact CD2-O 3.15Å
101Y94.2Very high78.6Confident73 Ų7359.1 Ų59.129%0.28630%0.295SS..THydrogen-bonded Turntrans60.924.9176.1-66-106.6000114.9P97 I98 G103 P176 S177 M180 R378P97-Y101 PolarHBondContact O-N 3.24Å; P97-Y101 VanDerWaalsContact O-N 3.13Å; I98-Y101 PolarHBondContact O-N 2.78Å; I98-Y101 VanDerWaalsContact O-N 3.15Å; Y101-G103 VanDerWaalsContact C-N 3.33Å; Y101-P176 HydrophobicContact CD2-CB 4.42Å; Y101-P176 HydrophobicContact CE2-CB 3.96Å; Y101-S177 PolarHBondContact OH-N 3.22Å; Y101-M180 HydrophobicContact CD1-CB 4.32Å; Y101-M180 HydrophobicContact CD1-CE 4.16Å; Y101-M180 HydrophobicContact CD1-CG 4.3Å; Y101-M180 HydrophobicContact CE1-CB 4.31Å; Y101-R378 HydrophobicContact CD2-CG 4.24Å
102L88.5Confident77.1Confident85 Ų8564 Ų6445%0.44534%0.336SS..  trans-85.7-7.4175.6-59.9179.1000112.9P97 H100 T283 I284P97-L102 HydrophobicContact CB-CB 4.05Å; P97-L102 PolarHBondContact O-N 3.26Å; H100-L102 HydrophobicContact CB-CG 4.46Å; H100-L102 PolarHBondContact O-N 3.04Å; L102-T283 WeakPolarHBondContact CD1-OG1 3.38Å; L102-I284 HydrophobicContact CD1-CG2 4.02Å
103G78.4Confident76Confident20 Ų2068.7 Ų68.721%0.20636%0.364CS..  trans79-176.5-17700000113.1P97 Y101P97-G103 VanDerWaalsContact CB-O 3.22Å; P97-G103 WeakPolarHBondContact CB-O 3.49Å; Y101-G103 VanDerWaalsContact C-N 3.33Å
104T67.3Low75.5Confident86 Ų8670.2 Ų70.253%0.52837%0.372SS..PPolyproline II helixtrans-79.9136.1175.348.70000110.2I98I98-T104 HydrophobicContact CD1-CG2 4.11Å; I98-T104 HydrophobicContact CG1-CG2 4.33Å
105P65.1Low75.3Confident38 Ų3872.9 Ų72.925%0.24739%0.389CS..PPolyproline II helixtrans-57.8145.7172.8-12.221.2000110.6N93 E107N93-P105 VanDerWaalsContact O-CD 3.27Å; N93-P105 WeakPolarHBondContact O-CD 3.45Å; N93-P105 WeakPolarHBondContact O-CG 3.12Å; N93-P105 WeakPolarHBondContact OD1-CG 3.5Å; P105-E107 PolarHBondContact O-N 3.36Å
106P60.9Low74.9Confident114 Ų11476 Ų7674%0.7440%0.401SS*.PPolyproline II helixtrans-57.7134.2166.321.9-27.7000109.3Y108P106-Y108 PolarHBondContact O-N 3.32Å
107E56.6Low74.8Confident181 Ų18180.2 Ų80.285%0.84642%0.421SS*.  trans-44.9133.6-178.2-69.2176.9165.900111.6P105 R109P105-E107 PolarHBondContact O-N 3.36Å; E107-R109 PolarHBondContact O-N 3.48Å
108Y53.9Low74.8Confident113 Ų11380.8 Ų80.844%0.44343%0.426SS..  trans-57.7106.8176.5-78.2-80.6000109.7N93 P106 N110N93-Y108 VanDerWaalsContact CG-OH 3.27Å; N93-Y108 WeakPolarHBondContact ND2-CE2 3.43Å; N93-Y108 PolarHBondContact ND2-OH 2.64Å; N93-Y108 PolarHBondContact OD1-OH 3.16Å; P106-Y108 PolarHBondContact O-N 3.32Å; Y108-N110 PolarHBondContact O-N 2.66Å
109R49.8Very low74.7Confident240 Ų24081.2 Ų81.291%0.90643%0.428SS*.SBendtrans-75.7-1.1177.7-77.2-173.6173.5-175.8-1.9114.3E107E107-R109 PolarHBondContact O-N 3.48Å
110N50.7Low74.6Confident160 Ų16081.8 Ų81.886%0.85643%0.43SS*.SBendtrans-117-12.2-164.6-64.8-3.4000115.7Y108Y108-N110 PolarHBondContact O-N 2.66Å
111D59.7Low74.6Confident70 Ų7085.5 Ų85.537%0.37445%0.447SS..  trans-137.3108173.8-167.6-20.9000110.5T113 I114D111-T113 VanDerWaalsContact CG-OG1 3.28Å; D111-T113 PolarHBondContact O-N 3.29Å; D111-T113 VanDerWaalsContact O-N 3.13Å; D111-T113 WeakPolarHBondContact OD1-CB 3.33Å; D111-T113 PolarHBondContact OD1-N 2.89Å; D111-T113 PolarHBondContact OD1-OG1 3.4Å; D111-T113 PolarHBondContact OD2-OG1 3.18Å; D111-I114 HydrophobicContact CB-CD1 4.12Å; D111-I114 HydrophobicContact CB-CG1 4.2Å; D111-I114 PolarHBondContact O-N 3.03Å
112A63.6Low74.7Confident103 Ų10382.5 Ų82.585%0.85144%0.438SS*.THydrogen-bonded Turntrans-64.7-13.8-179.200000113.3
113T65.9Low75.1Confident100 Ų10078.5 Ų78.561%0.61342%0.417SS*.THydrogen-bonded Turntrans-88.6-22.1-17969.20000113.4D111 T115D111-T113 VanDerWaalsContact CG-OG1 3.28Å; D111-T113 PolarHBondContact O-N 3.29Å; D111-T113 VanDerWaalsContact O-N 3.13Å; D111-T113 WeakPolarHBondContact OD1-CB 3.33Å; D111-T113 PolarHBondContact OD1-N 2.89Å; D111-T113 PolarHBondContact OD1-OG1 3.4Å; D111-T113 PolarHBondContact OD2-OG1 3.18Å; T113-T115 PolarHBondContact O-N 3.1Å
114I75.9Confident76Confident46 Ų4680.2 Ų80.224%0.23642%0.419CS..  trans-94.1101.6-178-57.1176.4000108.7D111 Q119D111-I114 HydrophobicContact CB-CD1 4.12Å; D111-I114 HydrophobicContact CB-CG1 4.2Å; D111-I114 PolarHBondContact O-N 3.03Å; I114-Q119 HydrophobicContact CG2-CG 4.09Å
115T84.6Confident77.4Confident67 Ų6781.8 Ų81.841%0.41142%0.418SS..  trans-114.7162.9179.9630000110.3T113 Q117 S118 Q119T113-T115 PolarHBondContact O-N 3.1Å; T115-Q117 PolarHBondContact O-N 3.07Å; T115-S118 PolarHBondContact N-OG 3.47Å; T115-S118 PolarHBondContact O-N 3.43Å; T115-S118 PolarHBondContact O-OG 2.93Å; T115-S118 PolarHBondContact OG1-N 3.05Å; T115-Q119 WeakPolarHBondContact O-CG 3.14Å; T115-Q119 PolarHBondContact O-N 3.05Å
116Y87.8Confident78.9Confident66 Ų6680 Ų8026%0.25941%0.406SS..Hα-helixtrans-50.6-43168.9175.7-86.7000111.4Y90 I94 Q119 Y120 L184 P185 S186Y90-Y116 HydrophobicContact CE2-CE2 4.29Å; I94-Y116 HydrophobicContact CD1-CD2 3.61Å; I94-Y116 HydrophobicContact CD1-CE2 3.86Å; I94-Y116 HydrophobicContact CG2-CE2 4.22Å; Y116-Q119 PolarHBondContact O-N 3.16Å; Y116-Y120 WeakPolarHBondContact O-CB 3.34Å; Y116-Y120 PolarHBondContact O-N 3.3Å; Y116-L184 HydrophobicContact CE2-CD1 4.33Å; Y116-P185 HydrophobicContact CD1-CB 4.43Å; Y116-P185 HydrophobicContact CD1-CG 4.33Å; Y116-P185 HydrophobicContact CD2-CG 4.28Å; Y116-P185 HydrophobicContact CE1-CB 3.66Å; Y116-P185 HydrophobicContact CE1-CG 3.86Å; Y116-P185 HydrophobicContact CE2-CB 4.35Å; Y116-P185 HydrophobicContact CE2-CG 3.77Å; Y116-P185 WeakPolarHBondContact OH-CD 3.33Å; Y116-S186 VanDerWaalsContact OH-CB 3.26Å; Y116-S186 WeakPolarHBondContact OH-CB 3.26Å; Y116-S186 PolarHBondContact OH-N 3.41Å; Y116-S186 PolarHBondContact OH-OG 3.3Å
117Q90.1Very high80.7Confident98 Ų9874.5 Ų74.546%0.45837%0.371SS..Hα-helixtrans-65.1-46.2-179.3-169.464.236.200111.7T115 Q119 Y120 E121T115-Q117 PolarHBondContact O-N 3.07Å; Q117-Q119 VanDerWaalsContact C-N 3.3Å; Q117-Q119 PolarHBondContact O-N 3.42Å; Q117-Y120 PolarHBondContact O-N 3.21Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 WeakPolarHBondContact O-CG 3.2Å; Q117-E121 PolarHBondContact O-N 3.34Å
118S91.9Very high82.6Confident29 Ų2969.4 Ų69.420%0.20335%0.347CS..Hα-helixtrans-63-38.718073.30000111.7Q85 T115 E121 A122Q85-S118 VanDerWaalsContact OE1-CB 3.31Å; Q85-S118 PolarHBondContact OE1-OG 2.94Å; T115-S118 PolarHBondContact N-OG 3.47Å; T115-S118 PolarHBondContact O-N 3.43Å; T115-S118 PolarHBondContact O-OG 2.93Å; T115-S118 PolarHBondContact OG1-N 3.05Å; S118-E121 PolarHBondContact O-N 3.47Å; S118-A122 WeakPolarHBondContact O-CB 3.44Å; S118-A122 PolarHBondContact O-N 3.24Å
119Q92Very high84.7Confident10 Ų1065.9 Ų65.95%0.04734%0.335CS..Hα-helixtrans-65.7-40174.3-69.3179.6-2300112Y90 I94 I114 T115 Y116 Q117 A122 Y123Y90-Q119 HydrophobicContact CD2-CB 4.25Å; I94-Q119 HydrophobicContact CD1-CB 4.41Å; I94-Q119 VanDerWaalsContact CD1-OE1 3.22Å; I114-Q119 HydrophobicContact CG2-CG 4.09Å; T115-Q119 WeakPolarHBondContact O-CG 3.14Å; T115-Q119 PolarHBondContact O-N 3.05Å; Y116-Q119 PolarHBondContact O-N 3.16Å; Q117-Q119 VanDerWaalsContact C-N 3.3Å; Q117-Q119 PolarHBondContact O-N 3.42Å; Q119-A122 WeakPolarHBondContact O-CB 3.45Å; Q119-A122 PolarHBondContact O-N 2.65Å; Q119-Y123 PolarHBondContact O-N 3.43Å
120Y94.6Very high86.9Confident13 Ų1354.4 Ų54.45%0.05129%0.292CS..Hα-helixtrans-68.8-37.9176-175.2-133.2000112.7Y90 Y116 Q117 Y123 K124 D189 L190Y90-Y120 HydrophobicContact CD2-CD2 4.37Å; Y90-Y120 HydrophobicContact CE1-CD2 4.39Å; Y90-Y120 AromaticContact CE2-CD2 3.56Å; Y90-Y120 HydrophobicContact CE2-CD2 3.56Å; Y90-Y120 HydrophobicContact CE2-CG 4.04Å; Y90-Y120 AromaticContact CZ-CD2 3.55Å; Y90-Y120 WeakPolarHBondContact OH-CD2 3.48Å; Y116-Y120 WeakPolarHBondContact O-CB 3.34Å; Y116-Y120 PolarHBondContact O-N 3.3Å; Q117-Y120 PolarHBondContact O-N 3.21Å; Y120-Y123 HydrophobicContact CD2-CD1 4.47Å; Y120-Y123 HydrophobicContact CE2-CD1 4.43Å; Y120-Y123 WeakPolarHBondContact O-CB 3.34Å; Y120-Y123 PolarHBondContact O-N 3.03Å; Y120-K124 HydrophobicContact CE1-CD 4.19Å; Y120-K124 HydrophobicContact CE2-CG 4.28Å; Y120-K124 PolarHBondContact O-N 3.05Å; Y120-D189 WeakPolarHBondContact OH-CB 3.45Å; Y120-D189 PolarHBondContact OH-OD2 3.2Å; Y120-L190 HydrophobicContact CE2-CD2 4.48Å
121E95.3Very high89.2Confident83 Ų8347.6 Ų47.639%0.38826%0.255SS..Hα-helixtrans-62.8-41.7171.4-67.3-49141.800111.8Q117 S118 Y123 K124 K125Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 WeakPolarHBondContact O-CG 3.2Å; Q117-E121 PolarHBondContact O-N 3.34Å; S118-E121 PolarHBondContact O-N 3.47Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 3.45Å; E121-K124 VanDerWaalsContact CD-CE 3.49Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-K124 WeakPolarHBondContact OE1-CE 3.36Å; E121-K124 IonicContact OE1-NZ 2.77Å; E121-K124 PolarHBondContact OE1-NZ 3.15Å; E121-K124 WeakPolarHBondContact OE2-CE 3.31Å; E121-K124 IonicContact OE2-NZ 2.88Å; E121-K124 PolarHBondContact OE2-NZ 3.35Å; E121-K125 WeakPolarHBondContact O-CB 3.42Å; E121-K125 PolarHBondContact O-N 3.27Å
122A95.3Very high91Very high11 Ų1147.4 Ų47.49%0.09125%0.254CS..Hα-helixtrans-60.4-40.3173.100000111.6V82 Q85 S118 Q119 K125 A126V82-A122 HydrophobicContact CG1-CB 3.85Å; V82-A122 WeakPolarHBondContact CG1-O 3.3Å; Q85-A122 HydrophobicContact CB-CB 3.58Å; S118-A122 WeakPolarHBondContact O-CB 3.44Å; S118-A122 PolarHBondContact O-N 3.24Å; Q119-A122 WeakPolarHBondContact O-CB 3.45Å; Q119-A122 PolarHBondContact O-N 2.65Å; A122-K125 PolarHBondContact O-N 3.1Å; A122-A126 WeakPolarHBondContact O-CB 3.23Å; A122-A126 PolarHBondContact O-N 3.48Å
123Y97.1Very high92.6Very high0 Ų043.3 Ų43.30%022%0.219CC..Hα-helixtrans-63.2-44175.8-173.9-95.7000113.3Y86 Y90 L95 Q119 Y120 E121 A126 N127 Y149 H150 M152 L153 L190Y86-Y123 AromaticContact CD2-CD2 3.55Å; Y86-Y123 HydrophobicContact CD2-CD2 3.55Å; Y86-Y123 HydrophobicContact CD2-CE2 4.31Å; Y86-Y123 HydrophobicContact CD2-CG 4.25Å; Y86-Y123 AromaticContact CE2-CD2 3.47Å; Y86-Y123 HydrophobicContact CE2-CD2 3.47Å; Y86-Y123 VanDerWaalsContact CE2-CD2 3.47Å; Y86-Y123 AromaticContact CE2-CE2 3.78Å; Y86-Y123 HydrophobicContact CE2-CE2 3.78Å; Y86-Y123 HydrophobicContact CE2-CG 4.37Å; Y90-Y123 HydrophobicContact CD1-CD1 4.03Å; Y90-Y123 AromaticContact CD1-CD2 3.15Å; Y90-Y123 HydrophobicContact CD1-CD2 3.15Å; Y90-Y123 HydrophobicContact CD1-CE1 4.48Å; Y90-Y123 AromaticContact CD1-CE2 3.71Å; Y90-Y123 HydrophobicContact CD1-CE2 3.71Å; Y90-Y123 AromaticContact CD1-CG 3.35Å; Y90-Y123 HydrophobicContact CD1-CG 3.35Å; Y90-Y123 AromaticContact CE1-CD1 3.76Å; Y90-Y123 HydrophobicContact CE1-CD1 3.76Å; Y90-Y123 AromaticContact CE1-CD2 3.69Å; Y90-Y123 HydrophobicContact CE1-CD2 3.69Å; Y90-Y123 HydrophobicContact CE1-CE1 4.03Å; Y90-Y123 AromaticContact CE1-CE2 3.97Å; Y90-Y123 HydrophobicContact CE1-CE2 3.97Å; Y90-Y123 AromaticContact CE1-CG 3.58Å; Y90-Y123 HydrophobicContact CE1-CG 3.58Å; Y90-Y123 AromaticContact CG-CD2 3.98Å; Y90-Y123 HydrophobicContact CG-CD2 3.98Å; Y90-Y123 AromaticContact CG-CG 3.98Å; Y90-Y123 HydrophobicContact CG-CG 3.98Å; L95-Y123 HydrophobicContact CD1-CE2 3.95Å; Q119-Y123 PolarHBondContact O-N 3.43Å; Y120-Y123 HydrophobicContact CD2-CD1 4.47Å; Y120-Y123 HydrophobicContact CE2-CD1 4.43Å; Y120-Y123 WeakPolarHBondContact O-CB 3.34Å; Y120-Y123 PolarHBondContact O-N 3.03Å; E121-Y123 VanDerWaalsContact C-N 3.29Å; E121-Y123 PolarHBondContact O-N 3.45Å; Y123-A126 PolarHBondContact O-N 3.17Å; Y123-N127 PolarHBondContact O-N 3Å; Y123-N127 PolarHBondContact O-ND2 3.45Å; Y123-Y149 PolarHBondContact OH-O 3.33Å; Y123-H150 WeakPolarHBondContact CE2-O 3.21Å; Y123-H150 PolarHBondContact OH-O 3.45Å; Y123-M152 VanDerWaalsContact OH-CB 3.32Å; Y123-M152 WeakPolarHBondContact OH-CB 3.15Å; Y123-M152 PolarHBondContact OH-N 2.95Å; Y123-M152 VanDerWaalsContact OH-N 3.08Å; Y123-L153 HydrophobicContact CD1-CD1 3.64Å; Y123-L153 HydrophobicContact CD1-CG 4.28Å; Y123-L153 HydrophobicContact CE1-CD1 3.73Å; Y123-L153 HydrophobicContact CE1-CG 3.84Å; Y123-L190 HydrophobicContact CD1-CD2 4.5Å; Y123-L190 HydrophobicContact CE1-CD2 3.79Å
124K97.2Very high94Very high56 Ų5638.6 Ų38.624%0.24319%0.189CC..Hα-helixtrans-60.7-47.7173.2-78-175.9-79.2165.80111.7Y120 E121 A126 N127 Q128 L153Y120-K124 HydrophobicContact CE1-CD 4.19Å; Y120-K124 HydrophobicContact CE2-CG 4.28Å; Y120-K124 PolarHBondContact O-N 3.05Å; E121-K124 VanDerWaalsContact CD-CE 3.49Å; E121-K124 PolarHBondContact O-N 3.49Å; E121-K124 WeakPolarHBondContact OE1-CE 3.36Å; E121-K124 IonicContact OE1-NZ 2.77Å; E121-K124 PolarHBondContact OE1-NZ 3.15Å; E121-K124 WeakPolarHBondContact OE2-CE 3.31Å; E121-K124 IonicContact OE2-NZ 2.88Å; E121-K124 PolarHBondContact OE2-NZ 3.35Å; K124-A126 PolarHBondContact O-N 3.3Å; K124-N127 PolarHBondContact O-N 3.4Å; K124-Q128 PolarHBondContact O-N 2.96Å; K124-L153 HydrophobicContact CB-CD1 4.38Å; K124-L153 HydrophobicContact CG-CD1 3.57Å
125K97Very high95Very high119 Ų11940.6 Ų40.652%0.51720%0.196SC..Hα-helixtrans-62.4-42.5178.8-174.9173.8173.9-170.30111.8V82 E121 A122 Q128 I129V82-K125 HydrophobicContact CG1-CB 4.31Å; V82-K125 HydrophobicContact CG1-CG 4.48Å; V82-K125 HydrophobicContact CG2-CD 3.54Å; V82-K125 HydrophobicContact CG2-CG 4.06Å; E121-K125 WeakPolarHBondContact O-CB 3.42Å; E121-K125 PolarHBondContact O-N 3.27Å; A122-K125 PolarHBondContact O-N 3.1Å; K125-Q128 WeakPolarHBondContact O-CB 3.45Å; K125-Q128 PolarHBondContact O-N 3.39Å; K125-I129 HydrophobicContact CG-CD1 4.44Å; K125-I129 WeakPolarHBondContact O-CG1 3.44Å; K125-I129 PolarHBondContact O-N 3.42Å
126A97.2Very high95.5Very high0 Ų044.6 Ų44.60%021%0.211CC..Hα-helixtrans-62.1-47.2175.500000111.6L79 V82 Y86 A122 Y123 K124 Q128 I129 F130L79-A126 HydrophobicContact CD2-CB 4.11Å; V82-A126 HydrophobicContact CG1-CB 4.25Å; Y86-A126 HydrophobicContact CD1-CB 3.58Å; Y86-A126 HydrophobicContact CD2-CB 3.5Å; Y86-A126 VanDerWaalsContact CD2-CB 3.5Å; Y86-A126 HydrophobicContact CE1-CB 3.79Å; Y86-A126 HydrophobicContact CE2-CB 3.71Å; Y86-A126 HydrophobicContact CG-CB 3.39Å; A122-A126 WeakPolarHBondContact O-CB 3.23Å; A122-A126 PolarHBondContact O-N 3.48Å; Y123-A126 PolarHBondContact O-N 3.17Å; K124-A126 PolarHBondContact O-N 3.3Å; A126-Q128 PolarHBondContact O-N 2.9Å; A126-I129 WeakPolarHBondContact O-CB 3.23Å; A126-I129 PolarHBondContact O-N 2.9Å; A126-I129 VanDerWaalsContact O-N 3.07Å; A126-F130 VanDerWaalsContact O-CD2 3.29Å; A126-F130 WeakPolarHBondContact O-CD2 3.36Å; A126-F130 PolarHBondContact O-N 3.08Å
127N97.9Very high95.8Very high0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-61.3-33176.6-85.1-104.1000112.3Y123 K124 F130 F131 H150 V151 L153 L154 Y157Y123-N127 PolarHBondContact O-N 3Å; Y123-N127 PolarHBondContact O-ND2 3.45Å; K124-N127 PolarHBondContact O-N 3.4Å; N127-F130 PolarHBondContact O-N 3.32Å; N127-F131 WeakPolarHBondContact O-CB 3.43Å; N127-F131 PolarHBondContact O-N 3.21Å; N127-H150 PolarHBondContact ND2-O 3.19Å; N127-H150 VanDerWaalsContact ND2-O 3.09Å; N127-V151 WeakPolarHBondContact OD1-CA 3.07Å; N127-L153 HydrophobicContact CB-CB 3.88Å; N127-L153 PolarHBondContact OD1-N 2.97Å; N127-L154 PolarHBondContact OD1-N 3.33Å; N127-Y157 HydrophobicContact CB-CD2 4.31Å; N127-Y157 HydrophobicContact CB-CE2 3.71Å
128Q97.3Very high96Very high73 Ų7341.2 Ų41.234%0.34120%0.196SC..Hα-helixtrans-64.5-44.4172.1-176.364.346.200111.6K124 K125 A126 F130 F131 D132 Y157K124-Q128 PolarHBondContact O-N 2.96Å; K125-Q128 WeakPolarHBondContact O-CB 3.45Å; K125-Q128 PolarHBondContact O-N 3.39Å; A126-Q128 PolarHBondContact O-N 2.9Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; Q128-F130 PolarHBondContact O-N 2.9Å; Q128-F131 WeakPolarHBondContact O-CB 3.49Å; Q128-F131 PolarHBondContact O-N 3.29Å; Q128-F131 VanDerWaalsContact O-N 3.14Å; Q128-D132 PolarHBondContact NE2-OD1 2.79Å; Q128-D132 VanDerWaalsContact O-CG 3.25Å; Q128-D132 PolarHBondContact O-N 3.44Å; Q128-Y157 HydrophobicContact CB-CE2 4.45Å
129I97.1Very high96.1Very high39 Ų3944.8 Ų44.820%0.221%0.209CC..Hα-helixtrans-62.6-42.5176.7-61.7164.2000110.6V77 K125 A126 F131 D132 V133V77-I129 HydrophobicContact CG1-CG2 3.8Å; K125-I129 HydrophobicContact CG-CD1 4.44Å; K125-I129 WeakPolarHBondContact O-CG1 3.44Å; K125-I129 PolarHBondContact O-N 3.42Å; A126-I129 WeakPolarHBondContact O-CB 3.23Å; A126-I129 PolarHBondContact O-N 2.9Å; A126-I129 VanDerWaalsContact O-N 3.07Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 PolarHBondContact O-N 2.56Å; I129-D132 PolarHBondContact O-N 2.86Å; I129-V133 WeakPolarHBondContact O-CG2 3.33Å; I129-V133 PolarHBondContact O-N 2.97Å; I129-V133 VanDerWaalsContact O-N 3.15Å
130F97.7Very high96Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-58.1-45.7172.6-86.7-83.1000111.5V9 S10 V77 L79 Y86 A126 N127 Q128 V133 V134 V151 L154V9-F130 HydrophobicContact CG1-CD1 3.7Å; V9-F130 HydrophobicContact CG1-CE1 4.24Å; S10-F130 WeakPolarHBondContact O-CE1 3.37Å; V77-F130 HydrophobicContact CB-CD1 4.42Å; V77-F130 HydrophobicContact CB-CE1 4.17Å; V77-F130 HydrophobicContact CB-CZ 4.39Å; V77-F130 HydrophobicContact CG1-CD1 4.18Å; V77-F130 HydrophobicContact CG1-CD2 4.2Å; V77-F130 HydrophobicContact CG1-CE1 4.19Å; V77-F130 HydrophobicContact CG1-CE2 4.17Å; V77-F130 HydrophobicContact CG1-CG 4.18Å; V77-F130 HydrophobicContact CG1-CZ 4.16Å; V77-F130 HydrophobicContact CG2-CD1 3.79Å; V77-F130 HydrophobicContact CG2-CE1 3.82Å; V77-F130 HydrophobicContact CG2-CG 4.49Å; L79-F130 HydrophobicContact CD2-CD2 4.5Å; L79-F130 HydrophobicContact CD2-CE2 4.05Å; Y86-F130 HydrophobicContact CE1-CE2 4.18Å; A126-F130 VanDerWaalsContact O-CD2 3.29Å; A126-F130 WeakPolarHBondContact O-CD2 3.36Å; A126-F130 PolarHBondContact O-N 3.08Å; N127-F130 PolarHBondContact O-N 3.32Å; Q128-F130 VanDerWaalsContact C-N 3.34Å; Q128-F130 PolarHBondContact O-N 2.9Å; F130-V133 PolarHBondContact O-N 2.78Å; F130-V134 VanDerWaalsContact O-CG2 3.26Å; F130-V134 WeakPolarHBondContact O-CG2 3.25Å; F130-V134 PolarHBondContact O-N 2.87Å; F130-V151 HydrophobicContact CD1-CG1 4.23Å; F130-V151 HydrophobicContact CD2-CG1 4.24Å; F130-V151 HydrophobicContact CE1-CG1 4.42Å; F130-V151 HydrophobicContact CE2-CG1 4.48Å; F130-V151 HydrophobicContact CG-CG1 4.14Å; F130-L154 HydrophobicContact CB-CD1 4.47Å
131F97.8Very high95.6Very high17 Ų1753 Ų538%0.07526%0.257CS..Hα-helixtrans-59.9-46176.4162.2-93.1000112.4N127 Q128 I129 V133 V134 K135 L154 Y157 L158 Y161N127-F131 WeakPolarHBondContact O-CB 3.43Å; N127-F131 PolarHBondContact O-N 3.21Å; Q128-F131 WeakPolarHBondContact O-CB 3.49Å; Q128-F131 PolarHBondContact O-N 3.29Å; Q128-F131 VanDerWaalsContact O-N 3.14Å; I129-F131 VanDerWaalsContact C-N 3.32Å; I129-F131 PolarHBondContact O-N 2.56Å; F131-V133 VanDerWaalsContact C-N 3.3Å; F131-V133 PolarHBondContact O-N 2.89Å; F131-V134 PolarHBondContact O-N 3.08Å; F131-V134 VanDerWaalsContact O-N 3.17Å; F131-K135 HydrophobicContact CE1-CD 4.02Å; F131-K135 HydrophobicContact CZ-CB 4.39Å; F131-K135 HydrophobicContact CZ-CD 3.91Å; F131-K135 WeakPolarHBondContact O-CB 3.46Å; F131-K135 PolarHBondContact O-N 3.43Å; F131-L154 HydrophobicContact CB-CD1 3.72Å; F131-Y157 HydrophobicContact CB-CD2 4.08Å; F131-Y157 WeakPolarHBondContact CE2-O 3.32Å; F131-L158 HydrophobicContact CD2-CD2 3.86Å; F131-L158 HydrophobicContact CD2-CG 4.39Å; F131-L158 HydrophobicContact CE2-CD2 4.35Å; F131-Y161 HydrophobicContact CE2-CD1 4.47Å; F131-Y161 HydrophobicContact CE2-CG 4.09Å; F131-Y161 HydrophobicContact CZ-CD2 4.32Å; F131-Y161 AromaticContact CZ-CG 3.96Å; F131-Y161 HydrophobicContact CZ-CG 3.96Å
132D97.5Very high95.4Very high65 Ų6549.3 Ų49.335%0.34824%0.24SC..Hα-helixtrans-59.8-43.1-178.8-66.8-28.8000110.7Q128 I129 K135 E136Q128-D132 PolarHBondContact NE2-OD1 2.79Å; Q128-D132 VanDerWaalsContact O-CG 3.25Å; Q128-D132 PolarHBondContact O-N 3.44Å; I129-D132 PolarHBondContact O-N 2.86Å; D132-K135 PolarHBondContact O-N 2.91Å; D132-E136 WeakPolarHBondContact O-CG 3.02Å; D132-E136 PolarHBondContact O-N 3.26Å
133V96.7Very high95.3Very high18 Ų1848.9 Ų48.911%0.10924%0.236CC..Hα-helixtrans-66-41.4176.3176.10000112.1I49 I75 V77 I129 F130 F131 E136 H137I49-V133 HydrophobicContact CG2-CB 4.42Å; I49-V133 HydrophobicContact CG2-CG1 3.75Å; I75-V133 HydrophobicContact CG2-CG1 3.48Å; I75-V133 VanDerWaalsContact CG2-CG1 3.48Å; V77-V133 HydrophobicContact CG2-CB 4.26Å; V77-V133 HydrophobicContact CG2-CG1 4.16Å; V77-V133 HydrophobicContact CG2-CG2 4.22Å; I129-V133 WeakPolarHBondContact O-CG2 3.33Å; I129-V133 PolarHBondContact O-N 2.97Å; I129-V133 VanDerWaalsContact O-N 3.15Å; F130-V133 PolarHBondContact O-N 2.78Å; F131-V133 VanDerWaalsContact C-N 3.3Å; F131-V133 PolarHBondContact O-N 2.89Å; V133-E136 PolarHBondContact O-N 2.81Å; V133-H137 PolarHBondContact O-N 2.8Å; V133-H137 PolarHBondContact O-ND1 2.82Å
134V97Very high95.2Very high0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-62.4-45.4175.81740000110.4L7 V9 I49 F130 F131 E136 H137 Y138 V144 L158L7-V134 HydrophobicContact CD1-CG1 4.37Å; V9-V134 HydrophobicContact CG1-CG2 4.4Å; V9-V134 HydrophobicContact CG2-CG2 3.65Å; I49-V134 HydrophobicContact CD1-CB 4.29Å; I49-V134 HydrophobicContact CD1-CG2 3.68Å; I49-V134 HydrophobicContact CG2-CG2 4.44Å; F130-V134 VanDerWaalsContact O-CG2 3.26Å; F130-V134 WeakPolarHBondContact O-CG2 3.25Å; F130-V134 PolarHBondContact O-N 2.87Å; F131-V134 PolarHBondContact O-N 3.08Å; F131-V134 VanDerWaalsContact O-N 3.17Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 3.04Å; V134-H137 PolarHBondContact O-N 3.44Å; V134-H137 VanDerWaalsContact O-N 3.13Å; V134-Y138 VanDerWaalsContact O-CB 3.31Å; V134-Y138 WeakPolarHBondContact O-CB 3.5Å; V134-Y138 PolarHBondContact O-N 3.47Å; V134-V144 HydrophobicContact CG1-CG1 4.25Å; V134-V144 HydrophobicContact CG1-CG2 4.23Å; V134-L158 HydrophobicContact CB-CD2 4.05Å; V134-L158 HydrophobicContact CG1-CD2 3.49Å; V134-L158 VanDerWaalsContact CG1-CD2 3.49Å
135K96.4Very high95.1Very high88 Ų8846.3 Ų46.338%0.38323%0.225SC..Hα-helixtrans-58.9-40.9179.3175.2-177.5170.9-1740112.3F131 D132 H137 Y161F131-K135 HydrophobicContact CE1-CD 4.02Å; F131-K135 HydrophobicContact CZ-CB 4.39Å; F131-K135 HydrophobicContact CZ-CD 3.91Å; F131-K135 WeakPolarHBondContact O-CB 3.46Å; F131-K135 PolarHBondContact O-N 3.43Å; D132-K135 PolarHBondContact O-N 2.91Å; K135-H137 PolarHBondContact O-N 3.3Å; K135-Y161 HydrophobicContact CD-CD2 4.22Å; K135-Y161 HydrophobicContact CD-CE1 4.46Å; K135-Y161 HydrophobicContact CD-CE2 3.95Å; K135-Y161 VanDerWaalsContact CE-CE2 3.47Å; K135-Y161 HydrophobicContact CG-CD1 4.41Å; K135-Y161 HydrophobicContact CG-CE1 3.91Å; K135-Y161 HydrophobicContact CG-CE2 4.22Å
136E95.5Very high95.1Very high152 Ų15240.6 Ų40.671%0.7120%0.2SC*.Hα-helixtrans-63.3-29.3177.6-75.8178177.300113.6D132 V133 V134D132-E136 WeakPolarHBondContact O-CG 3.02Å; D132-E136 PolarHBondContact O-N 3.26Å; V133-E136 PolarHBondContact O-N 2.81Å; V134-E136 VanDerWaalsContact C-N 3.32Å; V134-E136 PolarHBondContact O-N 3.04Å
137H94.1Very high95Very high63 Ų6340.7 Ų40.729%0.29220%0.201SC..Hα-helixtrans-105.3-8.8-174.9-64.881.6000113.6R5 I75 V133 V134 K135R5-H137 PolarHBondContact NH2-O 2.97Å; I75-H137 HydrophobicContact CD1-CB 4.02Å; I75-H137 VanDerWaalsContact CD1-CD2 3.4Å; I75-H137 WeakPolarHBondContact CD1-CD2 3.41Å; I75-H137 VanDerWaalsContact CG2-CE1 3.46Å; I75-H137 WeakPolarHBondContact CG2-CE1 3.48Å; V133-H137 PolarHBondContact O-N 2.8Å; V133-H137 PolarHBondContact O-ND1 2.82Å; V134-H137 PolarHBondContact O-N 3.44Å; V134-H137 VanDerWaalsContact O-N 3.13Å; K135-H137 PolarHBondContact O-N 3.3Å
138Y94.5Very high94.9Very high29 Ų2941.9 Ų41.911%0.11421%0.207CC..  trans-72.4131.6-177178.7-99000112L7 V134 G141 D142 V144 M165L7-Y138 HydrophobicContact CD1-CD2 4.26Å; V134-Y138 VanDerWaalsContact O-CB 3.31Å; V134-Y138 WeakPolarHBondContact O-CB 3.5Å; V134-Y138 PolarHBondContact O-N 3.47Å; Y138-G141 PolarHBondContact OH-N 2.97Å; Y138-D142 HydrophobicContact CD2-CB 3.82Å; Y138-D142 HydrophobicContact CE2-CB 3.61Å; Y138-V144 HydrophobicContact CD2-CG2 4.15Å; Y138-V144 HydrophobicContact CE2-CG2 4.36Å; Y138-M165 HydrophobicContact CD1-CE 4.25Å; Y138-M165 HydrophobicContact CD1-SD 4.39Å; Y138-M165 HydrophobicContact CD2-CE 3.42Å; Y138-M165 VanDerWaalsContact CD2-CE 3.42Å; Y138-M165 HydrophobicContact CD2-SD 4.49Å; Y138-M165 HydrophobicContact CE1-CE 4.38Å; Y138-M165 HydrophobicContact CE1-CG 3.91Å; Y138-M165 HydrophobicContact CE1-SD 4.29Å; Y138-M165 HydrophobicContact CE2-CE 3.56Å; Y138-M165 HydrophobicContact CE2-CG 3.96Å; Y138-M165 HydrophobicContact CE2-SD 4.38Å; Y138-M165 HydrophobicContact CG-CE 3.79Å; Y138-M165 HydrophobicContact CG-SD 4.49Å
139E93Very high94.9Very high105 Ų10538.5 Ų38.549%0.49119%0.191SC..  trans-114.4148.9167.9-73.6171.2-155.500110.5R5 G141 D142R5-E139 IonicContact CZ-OE1 3.53Å; R5-E139 IonicContact CZ-OE2 3.68Å; R5-E139 IonicContact NE-OE2 3.58Å; R5-E139 IonicContact NH1-OE1 3.42Å; R5-E139 PolarHBondContact NH1-OE1 3.11Å; R5-E139 IonicContact NH1-OE2 2.67Å; R5-E139 PolarHBondContact NH1-OE2 2.54Å; R5-E139 IonicContact NH2-OE1 3.52Å; E139-G141 PolarHBondContact O-N 3.24Å; E139-G141 VanDerWaalsContact O-N 3.13Å; E139-D142 PolarHBondContact N-OD2 3.47Å; E139-D142 VanDerWaalsContact O-CB 3.32Å; E139-D142 WeakPolarHBondContact O-CB 3.32Å; E139-D142 VanDerWaalsContact O-CG 3.24Å; E139-D142 PolarHBondContact O-N 2.88Å
140E89.1Confident94.9Very high161 Ų16137.2 Ų37.275%0.75218%0.184SC*.THydrogen-bonded Turntrans-59.3121.2-178.1-173.4175.3-173.800110.8
141G86.3Confident94.9Very high33 Ų3337.2 Ų37.234%0.3418%0.184SC..THydrogen-bonded Turntrans105.5-13.4-179.200000114.9Y138 E139 K166Y138-G141 PolarHBondContact OH-N 2.97Å; E139-G141 PolarHBondContact O-N 3.24Å; E139-G141 VanDerWaalsContact O-N 3.13Å; G141-K166 PolarHBondContact O-NZ 3.04Å
142D92.2Very high94.9Very high7 Ų736.4 Ų36.44%0.03718%0.181CC..  trans-58148.4174.3-70.58.3000110.9R5 Y138 E139R5-D142 HydrophobicContact CB-CB 4.49Å; R5-D142 VanDerWaalsContact CB-OD1 3.32Å; R5-D142 WeakPolarHBondContact CB-OD1 3.35Å; R5-D142 IonicContact CZ-OD2 2.65Å; R5-D142 IonicContact NE-OD1 3.14Å; R5-D142 PolarHBondContact NE-OD1 3.33Å; R5-D142 IonicContact NE-OD2 3.81Å; R5-D142 PolarHBondContact NE-OD2 2.87Å; R5-D142 IonicContact NH2-OD2 2.76Å; R5-D142 PolarHBondContact NH2-OD2 3.41Å; Y138-D142 HydrophobicContact CD2-CB 3.82Å; Y138-D142 HydrophobicContact CE2-CB 3.61Å; E139-D142 PolarHBondContact N-OD2 3.47Å; E139-D142 VanDerWaalsContact O-CB 3.32Å; E139-D142 WeakPolarHBondContact O-CB 3.32Å; E139-D142 VanDerWaalsContact O-CG 3.24Å; E139-D142 PolarHBondContact O-N 2.88Å
143V92.5Very high94.9Very high2 Ų233.5 Ų33.51%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-98129169.5-177.50000108.6R5 L6 L7 K166 M465 T468 L469R5-V143 PolarHBondContact O-N 3.25Å; L6-V143 CarbonylContact C-O 3.56Å; L6-V143 WeakPolarHBondContact CA-O 3.38Å; L6-V143 HydrophobicContact CD1-CB 4.07Å; L6-V143 HydrophobicContact CD1-CG1 4.03Å; L7-V143 PolarHBondContact N-O 3.05Å; V143-K166 HydrophobicContact CB-CB 4.43Å; V143-K166 HydrophobicContact CG1-CB 4.43Å; V143-K166 HydrophobicContact CG2-CB 4.13Å; V143-K166 HydrophobicContact CG2-CD 3.74Å; V143-M465 HydrophobicContact CB-CE 4.26Å; V143-M465 HydrophobicContact CG1-CE 3.99Å; V143-M465 HydrophobicContact CG2-CE 4.32Å; V143-T468 HydrophobicContact CG1-CG2 4.15Å; V143-L469 HydrophobicContact CG2-CD2 3.94Å
144V95.4Very high95Very high0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-104.3122.4172.9-171.20000108.7L7 V9 V134 Y138 L158 M165 K166 V167 G168L7-V144 HydrophobicContact CB-CG2 4.38Å; L7-V144 HydrophobicContact CD1-CG2 4.35Å; L7-V144 CarbonylContact O-C 3.5Å; L7-V144 WeakPolarHBondContact O-CA 3.4Å; V9-V144 HydrophobicContact CG2-CG1 3.82Å; V134-V144 HydrophobicContact CG1-CG1 4.25Å; V134-V144 HydrophobicContact CG1-CG2 4.23Å; Y138-V144 HydrophobicContact CD2-CG2 4.15Å; Y138-V144 HydrophobicContact CE2-CG2 4.36Å; V144-L158 HydrophobicContact CB-CD1 4.22Å; V144-L158 HydrophobicContact CG1-CD1 3.73Å; V144-M165 HydrophobicContact CG2-CE 3.65Å; V144-K166 PolarHBondContact N-O 3.5Å; V144-V167 WeakPolarHBondContact O-CA 3.15Å; V144-G168 PolarHBondContact O-N 3.15Å
145W95.4Very high94.9Very high1 Ų132.7 Ų32.70%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-114.1104.2177.4-168.71.8000110.2L6 L7 V9 L38 H147 G168 W460 A461 F464 M465L6-W145 HydrophobicContact CD1-CB 3.94Å; L6-W145 HydrophobicContact CD2-CE3 4.41Å; L7-W145 PolarHBondContact O-N 2.88Å; V9-W145 PolarHBondContact N-O 3.35Å; L38-W145 HydrophobicContact CD2-CE3 3.67Å; L38-W145 HydrophobicContact CD2-CH2 3.98Å; L38-W145 HydrophobicContact CD2-CZ3 3.26Å; W145-H147 AromaticContact CD1-CE1 3.75Å; W145-H147 AromaticContact CD1-NE2 3.78Å; W145-H147 AromaticContact CD2-CE1 3.54Å; W145-H147 AromaticContact CD2-NE2 3.52Å; W145-H147 AromaticContact CE2-CE1 3.23Å; W145-H147 AromaticContact CE2-NE2 3.73Å; W145-H147 AromaticContact CG-CE1 3.87Å; W145-H147 AromaticContact CG-NE2 3.57Å; W145-H147 AromaticContact CZ2-CE1 3.62Å; W145-H147 AromaticContact NE1-CE1 3.37Å; W145-H147 PolarHBondContact NE1-CE1 2.99Å; W145-H147 AromaticContact NE1-ND1 3.88Å; W145-H147 AromaticContact NE1-NE2 3.86Å; W145-H147 PolarHBondContact O-CD2 3.49Å; W145-G168 CarbonylContact C-O 3.53Å; W145-G168 WeakPolarHBondContact CA-O 3.45Å; W145-W460 HydrophobicContact CH2-CE3 4.24Å; W145-W460 AromaticContact CH2-CH2 3.46Å; W145-W460 HydrophobicContact CH2-CH2 3.46Å; W145-W460 VanDerWaalsContact CH2-CH2 3.46Å; W145-W460 AromaticContact CH2-CZ2 3.85Å; W145-W460 HydrophobicContact CH2-CZ2 3.85Å; W145-W460 AromaticContact CH2-CZ3 3.68Å; W145-W460 HydrophobicContact CH2-CZ3 3.68Å; W145-W460 AromaticContact CZ2-CH2 3.52Å; W145-W460 HydrophobicContact CZ2-CH2 3.52Å; W145-W460 AromaticContact CZ2-CZ2 3.58Å; W145-W460 HydrophobicContact CZ2-CZ2 3.58Å; W145-W460 HydrophobicContact CZ2-CZ3 4.22Å; W145-W460 HydrophobicContact CZ3-CH2 4.46Å; W145-W460 HydrophobicContact CZ3-CZ3 4.49Å; W145-A461 HydrophobicContact CH2-CB 4.34Å; W145-A461 HydrophobicContact CZ3-CB 4.34Å; W145-F464 AromaticContact CD1-CE1 3.59Å; W145-F464 AromaticContact CD1-CZ 3.89Å; W145-F464 AromaticContact CD2-CD1 3.82Å; W145-F464 HydrophobicContact CD2-CD1 3.82Å; W145-F464 AromaticContact CD2-CE1 3.79Å; W145-F464 HydrophobicContact CD2-CE1 3.79Å; W145-F464 AromaticContact CE2-CD1 3.33Å; W145-F464 AromaticContact CE2-CE1 3.34Å; W145-F464 AromaticContact CE2-CG 3.89Å; W145-F464 AromaticContact CE2-CZ 3.89Å; W145-F464 HydrophobicContact CE3-CD1 4.22Å; W145-F464 HydrophobicContact CG-CD1 4.45Å; W145-F464 AromaticContact CG-CE1 3.94Å; W145-F464 HydrophobicContact CG-CE1 3.94Å; W145-F464 HydrophobicContact CH2-CB 3.91Å; W145-F464 AromaticContact CH2-CD1 3.83Å; W145-F464 HydrophobicContact CH2-CD1 3.83Å; W145-F464 AromaticContact CH2-CG 3.94Å; W145-F464 HydrophobicContact CH2-CG 3.94Å; W145-F464 HydrophobicContact CZ2-CB 3.9Å; W145-F464 AromaticContact CZ2-CD1 3.36Å; W145-F464 HydrophobicContact CZ2-CD1 3.36Å; W145-F464 HydrophobicContact CZ2-CD2 4Å; W145-F464 AromaticContact CZ2-CE1 3.85Å; W145-F464 HydrophobicContact CZ2-CE1 3.85Å; W145-F464 HydrophobicContact CZ2-CE2 4.42Å; W145-F464 AromaticContact CZ2-CG 3.46Å; W145-F464 HydrophobicContact CZ2-CG 3.46Å; W145-F464 VanDerWaalsContact CZ2-CG 3.46Å; W145-F464 HydrophobicContact CZ2-CZ 4.35Å; W145-F464 HydrophobicContact CZ3-CD1 4.21Å; W145-F464 AromaticContact NE1-CD1 3.71Å; W145-F464 AromaticContact NE1-CE1 3.19Å; W145-F464 AromaticContact NE1-CE2 3.99Å; W145-F464 AromaticContact NE1-CZ 3.35Å; W145-M465 HydrophobicContact CE3-SD 3.93Å; W145-M465 HydrophobicContact CZ3-CG 4.23Å; W145-M465 HydrophobicContact CZ3-SD 4.25Å
146C96.6Very high94.9Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-86.8133.6179.7-56.40000110.7V151 L154 G168 W169 F170C146-V151 HydrophobicContact CB-CG2 4.08Å; C146-L154 HydrophobicContact CB-CD2 4.5Å; C146-G168 PolarHBondContact N-O 2.76Å; C146-W169 HydrophobicContact CB-CB 4.41Å; C146-W169 HydrophobicContact CB-CG 4.36Å; C146-W169 CarbonylContact O-C 3.58Å; C146-W169 VanDerWaalsContact O-CA 3.32Å; C146-W169 WeakPolarHBondContact O-CA 3.43Å; C146-F170 PolarHBondContact O-N 3.13Å
147H95.4Very high95Very high2 Ų225.6 Ų25.61%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-118.6126.5-177.9-66.7-83.1000112.9V9 W145 V151 H172 W460V9-H147 PolarHBondContact O-N 2.86Å; W145-H147 AromaticContact CD1-CE1 3.75Å; W145-H147 AromaticContact CD1-NE2 3.78Å; W145-H147 AromaticContact CD2-CE1 3.54Å; W145-H147 AromaticContact CD2-NE2 3.52Å; W145-H147 AromaticContact CE2-CE1 3.23Å; W145-H147 AromaticContact CE2-NE2 3.73Å; W145-H147 AromaticContact CG-CE1 3.87Å; W145-H147 AromaticContact CG-NE2 3.57Å; W145-H147 AromaticContact CZ2-CE1 3.62Å; W145-H147 AromaticContact NE1-CE1 3.37Å; W145-H147 PolarHBondContact NE1-CE1 2.99Å; W145-H147 AromaticContact NE1-ND1 3.88Å; W145-H147 AromaticContact NE1-NE2 3.86Å; W145-H147 PolarHBondContact O-CD2 3.49Å; H147-V151 WeakPolarHBondContact O-CG2 3.41Å; H147-H172 AromaticContact CG-NE2 3.93Å; H147-H172 AromaticContact ND1-NE2 3.24Å; H147-H172 PolarHBondContact ND1-NE2 2.95Å; H147-W460 AromaticContact CE1-CH2 3.96Å
148D95.7Very high95.1Very high24 Ų2422.6 Ų22.613%0.12811%0.113CC..SBendtrans76.1174.6163.3-142.59000116.5H150 V151 W169 F170 L171 H172D148-H150 PolarHBondContact O-N 2.84Å; D148-H150 IonicContact OD2-CE1 3.68Å; D148-H150 IonicContact OD2-ND1 2.63Å; D148-V151 PolarHBondContact O-N 3.48Å; D148-W169 PolarHBondContact O-NE1 2.78Å; D148-F170 PolarHBondContact N-O 2.94Å; D148-L171 WeakPolarHBondContact OD1-CD1 3.49Å; D148-H172 PolarHBondContact OD1-N 3.1Å
149Y96.6Very high95.1Very high3 Ų322.5 Ų22.51%0.01211%0.113CC..G310 helixtrans-62.2-10.1-174.762.5-89.4000115C91 N92 L95 W96 Y123 T173 R318C91-Y149 HydrophobicContact CB-CD2 4.31Å; C91-Y149 HydrophobicContact CB-CE2 3.89Å; N92-Y149 PolarHBondContact OD1-OH 2.85Å; L95-Y149 HydrophobicContact CB-CD2 3.96Å; L95-Y149 HydrophobicContact CD1-CD2 4.12Å; L95-Y149 VanDerWaalsContact CD1-O 3.23Å; L95-Y149 WeakPolarHBondContact CD1-O 3.44Å; W96-Y149 AromaticContact CE3-CE1 3.72Å; W96-Y149 HydrophobicContact CE3-CE1 3.72Å; W96-Y149 HydrophobicContact CE3-CE2 4.48Å; W96-Y149 AromaticContact CE3-CZ 3.55Å; W96-Y149 AromaticContact CZ3-CE1 3.98Å; W96-Y149 HydrophobicContact CZ3-CE1 3.98Å; Y123-Y149 PolarHBondContact OH-O 3.33Å; Y149-T173 HydrophobicContact CD1-CG2 3.55Å; Y149-T173 HydrophobicContact CE1-CG2 3.46Å; Y149-T173 VanDerWaalsContact CE1-CG2 3.46Å; Y149-R318 PolarHBondContact OH-NH2 3.31Å
150H97.2Very high95.1Very high11 Ų1123.8 Ų23.85%0.05112%0.119CC..G310 helixtrans-72.9-33.3178.7-57.193.8000112.4M11 Y86 Y87 Y123 N127 D148M11-H150 HydrophobicContact CB-CB 3.97Å; M11-H150 HydrophobicContact CG-CB 4.48Å; M11-H150 HydrophobicContact SD-CB 4.29Å; Y86-H150 WeakPolarHBondContact OH-CB 3.41Å; Y86-H150 PolarHBondContact OH-O 3.22Å; Y86-H150 VanDerWaalsContact OH-O 3.07Å; Y87-H150 AromaticContact CE2-NE2 3.84Å; Y123-H150 WeakPolarHBondContact CE2-O 3.21Å; Y123-H150 PolarHBondContact OH-O 3.45Å; N127-H150 PolarHBondContact ND2-O 3.19Å; N127-H150 VanDerWaalsContact ND2-O 3.09Å; D148-H150 PolarHBondContact O-N 2.84Å; D148-H150 IonicContact OD2-CE1 3.68Å; D148-H150 IonicContact OD2-ND1 2.63Å
151V97.3Very high95.4Very high0 Ų021.5 Ų21.50%010%0.104CC..G310 helixtrans-118.339.8-173-66.20000112.5N127 F130 C146 H147 D148 L153 L154 P155N127-V151 WeakPolarHBondContact OD1-CA 3.07Å; F130-V151 HydrophobicContact CD1-CG1 4.23Å; F130-V151 HydrophobicContact CD2-CG1 4.24Å; F130-V151 HydrophobicContact CE1-CG1 4.42Å; F130-V151 HydrophobicContact CE2-CG1 4.48Å; F130-V151 HydrophobicContact CG-CG1 4.14Å; C146-V151 HydrophobicContact CB-CG2 4.08Å; H147-V151 WeakPolarHBondContact O-CG2 3.41Å; D148-V151 PolarHBondContact O-N 3.48Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 2.8Å; V151-L154 HydrophobicContact CB-CB 3.96Å; V151-L154 HydrophobicContact CB-CD2 4.06Å; V151-L154 HydrophobicContact CG1-CD2 4.32Å; V151-L154 WeakPolarHBondContact O-CB 3.47Å; V151-L154 PolarHBondContact O-N 3.07Å; V151-P155 WeakPolarHBondContact O-CD 3.35Å
152M98.1Very high95.6Very high0 Ų021.8 Ų21.80%010%0.098CC..SBendtrans-69.3-23-178.7-65.8-176.973.800113.3L95 F99 Y123 W169 L190 S193 V194L95-M152 HydrophobicContact CD1-SD 4.4Å; F99-M152 HydrophobicContact CE2-SD 4.07Å; F99-M152 HydrophobicContact CZ-CE 4.12Å; F99-M152 HydrophobicContact CZ-SD 3.79Å; Y123-M152 VanDerWaalsContact OH-CB 3.32Å; Y123-M152 WeakPolarHBondContact OH-CB 3.15Å; Y123-M152 PolarHBondContact OH-N 2.95Å; Y123-M152 VanDerWaalsContact OH-N 3.08Å; M152-W169 HydrophobicContact CE-CH2 4.42Å; M152-W169 HydrophobicContact CE-CZ2 4.39Å; M152-W169 HydrophobicContact CG-CZ2 3.76Å; M152-L190 HydrophobicContact CB-CD2 4.23Å; M152-L190 HydrophobicContact CE-CB 4.06Å; M152-L190 HydrophobicContact CE-CD1 4.46Å; M152-L190 HydrophobicContact SD-CD1 4.08Å; M152-S193 WeakPolarHBondContact O-CB 3.42Å; M152-S193 PolarHBondContact O-OG 2.99Å; M152-S193 VanDerWaalsContact O-OG 3.07Å; M152-V194 HydrophobicContact CB-CG2 3.97Å; M152-V194 HydrophobicContact CE-CG2 3.8Å; M152-V194 HydrophobicContact CG-CG2 4.27Å
153L98Very high95.4Very high5 Ų525.1 Ų25.13%0.02612%0.122CC..SBendtrans-86.5-17.9178.1-70173000113.3Y123 K124 N127 V151 Q156 Y157 L190 S193Y123-L153 HydrophobicContact CD1-CD1 3.64Å; Y123-L153 HydrophobicContact CD1-CG 4.28Å; Y123-L153 HydrophobicContact CE1-CD1 3.73Å; Y123-L153 HydrophobicContact CE1-CG 3.84Å; K124-L153 HydrophobicContact CB-CD1 4.38Å; K124-L153 HydrophobicContact CG-CD1 3.57Å; N127-L153 HydrophobicContact CB-CB 3.88Å; N127-L153 PolarHBondContact OD1-N 2.97Å; V151-L153 VanDerWaalsContact C-N 3.26Å; V151-L153 PolarHBondContact O-N 2.8Å; L153-Q156 PolarHBondContact O-N 3.16Å; L153-Y157 HydrophobicContact CB-CE2 4.19Å; L153-Y157 PolarHBondContact O-N 3.18Å; L153-L190 HydrophobicContact CD1-CD2 4.47Å; L153-L190 HydrophobicContact CD2-CD2 3.86Å; L153-L190 HydrophobicContact CG-CD2 3.89Å; L153-S193 WeakPolarHBondContact CA-OG 3.44Å; L153-S193 PolarHBondContact O-OG 3.35Å
154L98Very high95.2Very high0 Ų031.8 Ų31.80%015%0.151CC..Hα-helixtrans-61.4-41.3-174.4-177.860.2000113.8V9 N127 F130 F131 C146 V151 Q156 Y157 L158V9-L154 HydrophobicContact CB-CD2 4.08Å; V9-L154 HydrophobicContact CG1-CD2 3.63Å; V9-L154 HydrophobicContact CG2-CD2 4.31Å; N127-L154 PolarHBondContact OD1-N 3.33Å; F130-L154 HydrophobicContact CB-CD1 4.47Å; F131-L154 HydrophobicContact CB-CD1 3.72Å; C146-L154 HydrophobicContact CB-CD2 4.5Å; V151-L154 HydrophobicContact CB-CB 3.96Å; V151-L154 HydrophobicContact CB-CD2 4.06Å; V151-L154 HydrophobicContact CG1-CD2 4.32Å; V151-L154 WeakPolarHBondContact O-CB 3.47Å; V151-L154 PolarHBondContact O-N 3.07Å; L154-Q156 VanDerWaalsContact C-N 3.25Å; L154-Q156 PolarHBondContact O-N 3.49Å; L154-Y157 PolarHBondContact O-N 3.28Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.21Å; L154-L158 HydrophobicContact CD1-CG 3.93Å; L154-L158 HydrophobicContact CD2-CD1 4.47Å; L154-L158 HydrophobicContact CG-CD1 3.83Å; L154-L158 HydrophobicContact CG-CG 4.15Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.32Å
155P96.6Very high95Very high0 Ų031.9 Ų31.90%015%0.151CC..Hα-helixtrans-57.1-38.8-179.9-25.735.3000113V151 K159 V167 W169 T196 A197V151-P155 WeakPolarHBondContact O-CD 3.35Å; P155-K159 WeakPolarHBondContact O-CB 3.32Å; P155-K159 WeakPolarHBondContact O-CG 3.34Å; P155-K159 PolarHBondContact O-N 2.96Å; P155-K159 VanDerWaalsContact O-N 3.1Å; P155-V167 HydrophobicContact CB-CG1 3.98Å; P155-V167 HydrophobicContact CG-CG1 4.43Å; P155-W169 HydrophobicContact CG-CB 4.24Å; P155-W169 HydrophobicContact CG-CG 4.29Å; P155-T196 WeakPolarHBondContact CB-OG1 3.31Å; P155-T196 PolarHBondContact O-OG1 2.98Å; P155-A197 HydrophobicContact CB-CB 4.14Å
156Q95.9Very high94.8Very high53 Ų5333.5 Ų33.525%0.24816%0.158CC..Hα-helixtrans-65-49.3176.9-179.8175.4-9.100111.7L153 L154 L158 K159 E160 S193 T196L153-Q156 PolarHBondContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.25Å; L154-Q156 PolarHBondContact O-N 3.49Å; Q156-L158 VanDerWaalsContact C-N 3.25Å; Q156-L158 PolarHBondContact O-N 2.79Å; Q156-K159 PolarHBondContact O-N 2.92Å; Q156-K159 VanDerWaalsContact O-N 3.14Å; Q156-E160 HydrophobicContact CG-CG 4.19Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.14Å; Q156-E160 PolarHBondContact NE2-OE1 2.97Å; Q156-E160 WeakPolarHBondContact O-CB 3.47Å; Q156-E160 WeakPolarHBondContact O-CG 3.38Å; Q156-E160 PolarHBondContact O-N 3.16Å; Q156-S193 WeakPolarHBondContact CB-OG 3.42Å; Q156-S193 PolarHBondContact N-OG 2.84Å; Q156-T196 WeakPolarHBondContact CA-OG1 3.36Å; Q156-T196 HydrophobicContact CB-CG2 3.97Å; Q156-T196 HydrophobicContact CG-CG2 4.19Å; Q156-T196 PolarHBondContact N-OG1 3.33Å
157Y97.5Very high94.7Very high38 Ų3833.5 Ų33.515%0.14916%0.158CC..Hα-helixtrans-58.5-39.9-179.4-60.1-16.8000111.8N127 Q128 F131 L153 L154 Y161N127-Y157 HydrophobicContact CB-CD2 4.31Å; N127-Y157 HydrophobicContact CB-CE2 3.71Å; Q128-Y157 HydrophobicContact CB-CE2 4.45Å; F131-Y157 HydrophobicContact CB-CD2 4.08Å; F131-Y157 WeakPolarHBondContact CE2-O 3.32Å; L153-Y157 HydrophobicContact CB-CE2 4.19Å; L153-Y157 PolarHBondContact O-N 3.18Å; L154-Y157 PolarHBondContact O-N 3.28Å; Y157-Y161 WeakPolarHBondContact O-CB 3.47Å; Y157-Y161 PolarHBondContact O-N 3.24Å; Y157-Y161 VanDerWaalsContact O-N 3.13Å
158L96.8Very high94.7Very high0 Ų033.4 Ų33.40%016%0.158CC..Hα-helixtrans-64.9-46.2176.4-64.1171.2000112.2F131 V134 V144 L154 Q156 Y161 N162 M165 V167F131-L158 HydrophobicContact CD2-CD2 3.86Å; F131-L158 HydrophobicContact CD2-CG 4.39Å; F131-L158 HydrophobicContact CE2-CD2 4.35Å; V134-L158 HydrophobicContact CB-CD2 4.05Å; V134-L158 HydrophobicContact CG1-CD2 3.49Å; V134-L158 VanDerWaalsContact CG1-CD2 3.49Å; V144-L158 HydrophobicContact CB-CD1 4.22Å; V144-L158 HydrophobicContact CG1-CD1 3.73Å; L154-L158 HydrophobicContact CD1-CD1 4.12Å; L154-L158 HydrophobicContact CD1-CD2 4.21Å; L154-L158 HydrophobicContact CD1-CG 3.93Å; L154-L158 HydrophobicContact CD2-CD1 4.47Å; L154-L158 HydrophobicContact CG-CD1 3.83Å; L154-L158 HydrophobicContact CG-CG 4.15Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 3.32Å; Q156-L158 VanDerWaalsContact C-N 3.25Å; Q156-L158 PolarHBondContact O-N 2.79Å; L158-Y161 PolarHBondContact O-N 2.77Å; L158-N162 PolarHBondContact O-N 2.86Å; L158-M165 HydrophobicContact CB-CE 4.13Å; L158-M165 HydrophobicContact CB-SD 4.16Å; L158-M165 HydrophobicContact CD2-CE 3.66Å; L158-M165 HydrophobicContact CD2-SD 4.35Å; L158-M165 HydrophobicContact CG-CE 4.33Å; L158-M165 VanDerWaalsContact O-SD 3.41Å; L158-V167 HydrophobicContact CB-CG2 4.14Å; L158-V167 HydrophobicContact CD1-CG1 4.29Å; L158-V167 HydrophobicContact CD1-CG2 4.18Å
159K93.3Very high94.7Very high28 Ų2832.2 Ų32.212%0.12215%0.152CC..Hα-helixtrans-72.8-28.4-178.4-72.3-72.3-161.5176.70113.5P155 Q156 N162 S163 M165 V167 T196 D198P155-K159 WeakPolarHBondContact O-CB 3.32Å; P155-K159 WeakPolarHBondContact O-CG 3.34Å; P155-K159 PolarHBondContact O-N 2.96Å; P155-K159 VanDerWaalsContact O-N 3.1Å; Q156-K159 PolarHBondContact O-N 2.92Å; Q156-K159 VanDerWaalsContact O-N 3.14Å; K159-N162 CarbonylContact O-C 3.47Å; K159-S163 PolarHBondContact NZ-O 3.19Å; K159-S163 WeakPolarHBondContact O-CA 3.27Å; K159-S163 PolarHBondContact O-N 3.07Å; K159-M165 WeakPolarHBondContact CE-O 3.42Å; K159-M165 PolarHBondContact NZ-O 2.73Å; K159-V167 HydrophobicContact CD-CG2 4.37Å; K159-V167 HydrophobicContact CG-CG2 4.37Å; K159-T196 WeakPolarHBondContact CE-O 3.5Å; K159-T196 WeakPolarHBondContact CG-O 3.35Å; K159-D198 WeakPolarHBondContact CE-OD2 3.1Å; K159-D198 IonicContact NZ-OD1 2.68Å; K159-D198 PolarHBondContact NZ-OD1 3.11Å; K159-D198 IonicContact NZ-OD2 3.73Å; K159-D198 PolarHBondContact NZ-OD2 2.71Å
160E94.3Very high94.7Very high131 Ų13132.1 Ų32.161%0.61215%0.151SC*.Hα-helixtrans-69.8-37.9171.5-75.2175.7179.500111.6Q156Q156-E160 HydrophobicContact CG-CG 4.19Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.14Å; Q156-E160 PolarHBondContact NE2-OE1 2.97Å; Q156-E160 WeakPolarHBondContact O-CB 3.47Å; Q156-E160 WeakPolarHBondContact O-CG 3.38Å; Q156-E160 PolarHBondContact O-N 3.16Å
161Y93.9Very high94.8Very high113 Ų11331.6 Ų31.644%0.44315%0.149SC..Hα-helixtrans-68.1-46174.2174.1-114.4000112.4F131 K135 Y157 L158 M165F131-Y161 HydrophobicContact CE2-CD1 4.47Å; F131-Y161 HydrophobicContact CE2-CG 4.09Å; F131-Y161 HydrophobicContact CZ-CD2 4.32Å; F131-Y161 AromaticContact CZ-CG 3.96Å; F131-Y161 HydrophobicContact CZ-CG 3.96Å; K135-Y161 HydrophobicContact CD-CD2 4.22Å; K135-Y161 HydrophobicContact CD-CE1 4.46Å; K135-Y161 HydrophobicContact CD-CE2 3.95Å; K135-Y161 VanDerWaalsContact CE-CE2 3.47Å; K135-Y161 HydrophobicContact CG-CD1 4.41Å; K135-Y161 HydrophobicContact CG-CE1 3.91Å; K135-Y161 HydrophobicContact CG-CE2 4.22Å; Y157-Y161 WeakPolarHBondContact O-CB 3.47Å; Y157-Y161 PolarHBondContact O-N 3.24Å; Y157-Y161 VanDerWaalsContact O-N 3.13Å; L158-Y161 PolarHBondContact O-N 2.77Å; Y161-M165 HydrophobicContact CD1-SD 4Å
162N91Very high94.6Very high40 Ų4033.4 Ų33.421%0.21416%0.157CC..  trans-151.8107.8176.8175.26.5000110.5L158 K159 K164 M165L158-N162 PolarHBondContact O-N 2.86Å; K159-N162 CarbonylContact O-C 3.47Å; N162-K164 PolarHBondContact O-N 2.97Å; N162-K164 VanDerWaalsContact O-N 3.09Å; N162-K164 WeakPolarHBondContact OD1-CB 3.38Å; N162-K164 PolarHBondContact OD1-N 2.7Å; N162-M165 HydrophobicContact CB-CG 3.73Å; N162-M165 HydrophobicContact CB-SD 4.03Å; N162-M165 WeakPolarHBondContact O-CB 3.48Å; N162-M165 VanDerWaalsContact O-CG 3.3Å; N162-M165 WeakPolarHBondContact O-CG 3.3Å; N162-M165 PolarHBondContact O-N 3.05Å
163S88.5Confident94.5Very high77 Ų7733.6 Ų33.654%0.53816%0.159SC..THydrogen-bonded Turntrans-60.3-23.1-178.558.60000113.9K159 M165K159-S163 PolarHBondContact NZ-O 3.19Å; K159-S163 WeakPolarHBondContact O-CA 3.27Å; K159-S163 PolarHBondContact O-N 3.07Å; S163-M165 VanDerWaalsContact C-N 3.32Å
164K87.2Confident94.4Very high142 Ų14233.4 Ų33.462%0.61716%0.157SC*.THydrogen-bonded Turntrans-80.9-8.2178-58.1179.1177.9175.60113.6N162 K166N162-K164 PolarHBondContact O-N 2.97Å; N162-K164 VanDerWaalsContact O-N 3.09Å; N162-K164 WeakPolarHBondContact OD1-CB 3.38Å; N162-K164 PolarHBondContact OD1-N 2.7Å; K164-K166 PolarHBondContact O-N 2.77Å
165M91.1Very high94.4Very high1 Ų133.4 Ų33.41%0.00516%0.157CC..  trans-59.4136.5175.5-70.9-175.167.400110Y138 V144 L158 K159 Y161 N162 S163 V167Y138-M165 HydrophobicContact CD1-CE 4.25Å; Y138-M165 HydrophobicContact CD1-SD 4.39Å; Y138-M165 HydrophobicContact CD2-CE 3.42Å; Y138-M165 VanDerWaalsContact CD2-CE 3.42Å; Y138-M165 HydrophobicContact CD2-SD 4.49Å; Y138-M165 HydrophobicContact CE1-CE 4.38Å; Y138-M165 HydrophobicContact CE1-CG 3.91Å; Y138-M165 HydrophobicContact CE1-SD 4.29Å; Y138-M165 HydrophobicContact CE2-CE 3.56Å; Y138-M165 HydrophobicContact CE2-CG 3.96Å; Y138-M165 HydrophobicContact CE2-SD 4.38Å; Y138-M165 HydrophobicContact CG-CE 3.79Å; Y138-M165 HydrophobicContact CG-SD 4.49Å; V144-M165 HydrophobicContact CG2-CE 3.65Å; L158-M165 HydrophobicContact CB-CE 4.13Å; L158-M165 HydrophobicContact CB-SD 4.16Å; L158-M165 HydrophobicContact CD2-CE 3.66Å; L158-M165 HydrophobicContact CD2-SD 4.35Å; L158-M165 HydrophobicContact CG-CE 4.33Å; L158-M165 VanDerWaalsContact O-SD 3.41Å; K159-M165 WeakPolarHBondContact CE-O 3.42Å; K159-M165 PolarHBondContact NZ-O 2.73Å; Y161-M165 HydrophobicContact CD1-SD 4Å; N162-M165 HydrophobicContact CB-CG 3.73Å; N162-M165 HydrophobicContact CB-SD 4.03Å; N162-M165 WeakPolarHBondContact O-CB 3.48Å; N162-M165 VanDerWaalsContact O-CG 3.3Å; N162-M165 WeakPolarHBondContact O-CG 3.3Å; N162-M165 PolarHBondContact O-N 3.05Å; S163-M165 VanDerWaalsContact C-N 3.32Å; M165-V167 HydrophobicContact CB-CG2 4.09Å
166K91.6Very high94.3Very high35 Ų3533.4 Ų33.415%0.15216%0.157CC..EExtended strand (participates in β ladder)trans-89.7109.3178.7-61.9174.2179.1165.90108.1G141 V143 V144 K164 D198 I472G141-K166 PolarHBondContact O-NZ 3.04Å; V143-K166 HydrophobicContact CB-CB 4.43Å; V143-K166 HydrophobicContact CG1-CB 4.43Å; V143-K166 HydrophobicContact CG2-CB 4.13Å; V143-K166 HydrophobicContact CG2-CD 3.74Å; V144-K166 PolarHBondContact N-O 3.5Å; K164-K166 PolarHBondContact O-N 2.77Å; K166-D198 WeakPolarHBondContact CA-OD2 3.41Å; K166-I472 HydrophobicContact CB-CD1 3.47Å; K166-I472 VanDerWaalsContact CB-CD1 3.47Å; K166-I472 HydrophobicContact CB-CG1 4.42Å; K166-I472 HydrophobicContact CD-CD1 3.74Å; K166-I472 HydrophobicContact CD-CG2 4.21Å; K166-I472 HydrophobicContact CG-CD1 3.5Å; K166-I472 HydrophobicContact CG-CG1 4.18Å; K166-I472 HydrophobicContact CG-CG2 4.02Å
167V94.4Very high94.2Very high0 Ų032.3 Ų32.30%016%0.156CC..EExtended strand (participates in β ladder)trans-122.4114.9-171-175.20000110.3V144 P155 L158 K159 M165 A197 D198 L199V144-V167 WeakPolarHBondContact O-CA 3.15Å; P155-V167 HydrophobicContact CB-CG1 3.98Å; P155-V167 HydrophobicContact CG-CG1 4.43Å; L158-V167 HydrophobicContact CB-CG2 4.14Å; L158-V167 HydrophobicContact CD1-CG1 4.29Å; L158-V167 HydrophobicContact CD1-CG2 4.18Å; K159-V167 HydrophobicContact CD-CG2 4.37Å; K159-V167 HydrophobicContact CG-CG2 4.37Å; M165-V167 HydrophobicContact CB-CG2 4.09Å; V167-A197 HydrophobicContact CG1-CB 4.26Å; V167-D198 PolarHBondContact N-OD2 3.15Å; V167-D198 WeakPolarHBondContact O-CB 3.27Å; V167-D198 PolarHBondContact O-N 3.09Å; V167-L199 PolarHBondContact O-N 2.94Å
168G94.9Very high93.9Very high0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-102.5141.4165.700000110.3V144 W145 C146 L199V144-G168 PolarHBondContact O-N 3.15Å; W145-G168 CarbonylContact C-O 3.53Å; W145-G168 WeakPolarHBondContact CA-O 3.45Å; C146-G168 PolarHBondContact N-O 2.76Å; G168-L199 CarbonylContact C-O 3.45Å; G168-L199 WeakPolarHBondContact CA-O 3.31Å
169W97.1Very high93.6Very high0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-126.5134.2172.6-176.693.5000110.5C146 D148 M152 P155 L171 V194 A197 L199 V200 G201 F202C146-W169 HydrophobicContact CB-CB 4.41Å; C146-W169 HydrophobicContact CB-CG 4.36Å; C146-W169 CarbonylContact O-C 3.58Å; C146-W169 VanDerWaalsContact O-CA 3.32Å; C146-W169 WeakPolarHBondContact O-CA 3.43Å; D148-W169 PolarHBondContact O-NE1 2.78Å; M152-W169 HydrophobicContact CE-CH2 4.42Å; M152-W169 HydrophobicContact CE-CZ2 4.39Å; M152-W169 HydrophobicContact CG-CZ2 3.76Å; P155-W169 HydrophobicContact CG-CB 4.24Å; P155-W169 HydrophobicContact CG-CG 4.29Å; W169-L171 HydrophobicContact CH2-CB 3.52Å; W169-L171 HydrophobicContact CH2-CD1 3.65Å; W169-L171 HydrophobicContact CH2-CD2 4.17Å; W169-L171 HydrophobicContact CH2-CG 3.95Å; W169-L171 HydrophobicContact CZ2-CB 4.28Å; W169-L171 HydrophobicContact CZ2-CD1 3.87Å; W169-L171 HydrophobicContact CZ3-CB 3.67Å; W169-V194 HydrophobicContact CD2-CG1 4Å; W169-V194 HydrophobicContact CD2-CG2 4.3Å; W169-V194 HydrophobicContact CE3-CG1 3.66Å; W169-V194 HydrophobicContact CH2-CG1 4.43Å; W169-V194 HydrophobicContact CH2-CG2 4.35Å; W169-V194 HydrophobicContact CZ2-CG2 4.2Å; W169-V194 HydrophobicContact CZ3-CG1 3.87Å; W169-A197 HydrophobicContact CB-CB 4.17Å; W169-L199 PolarHBondContact N-O 2.78Å; W169-V200 HydrophobicContact CE3-CG1 3.86Å; W169-V200 HydrophobicContact CZ3-CG1 4.02Å; W169-V200 CarbonylContact O-C 3.44Å; W169-V200 WeakPolarHBondContact O-CA 3.44Å; W169-G201 PolarHBondContact O-N 2.89Å; W169-F202 HydrophobicContact CZ3-CE1 4.24Å; W169-F202 HydrophobicContact CZ3-CZ 4.27Å
170F96.9Very high93.6Very high0 Ų037.9 Ų37.90%019%0.187CC..EExtended strand (participates in β ladder)trans-130.6127.6-177.8-170.6-81.6000111.8C146 D148 H172 G201 H203 F240 W460 F464C146-F170 PolarHBondContact O-N 3.13Å; D148-F170 PolarHBondContact N-O 2.94Å; F170-H172 AromaticContact CD1-CD2 3.97Å; F170-H172 AromaticContact CD1-CE1 3.67Å; F170-H172 AromaticContact CD1-ND1 3.87Å; F170-H172 AromaticContact CD1-NE2 3.75Å; F170-H172 AromaticContact CE1-CE1 3.83Å; F170-H172 AromaticContact CE1-ND1 3.7Å; F170-G201 WeakPolarHBondContact CA-O 3.18Å; F170-H203 AromaticContact CE1-CE1 3.31Å; F170-H203 WeakPolarHBondContact CE1-CE1 3.36Å; F170-H203 AromaticContact CE1-ND1 3.66Å; F170-H203 AromaticContact CE1-NE2 3.94Å; F170-H203 AromaticContact CZ-CE1 3.56Å; F170-H203 AromaticContact CZ-ND1 3.41Å; F170-H203 WeakPolarHBondContact CZ-ND1 3.26Å; F170-F240 HydrophobicContact CD2-CD2 4.45Å; F170-F240 HydrophobicContact CE2-CB 3.91Å; F170-F240 HydrophobicContact CE2-CD2 4.08Å; F170-F240 HydrophobicContact CE2-CG 4.45Å; F170-F240 WeakPolarHBondContact CZ-O 3.26Å; F170-W460 HydrophobicContact CD1-CZ2 4.01Å; F170-W460 HydrophobicContact CD2-CZ2 4.28Å; F170-W460 HydrophobicContact CE1-CZ2 4.08Å; F170-W460 HydrophobicContact CE2-CZ2 4.37Å; F170-W460 AromaticContact CE2-NE1 3.53Å; F170-W460 HydrophobicContact CG-CZ2 4.13Å; F170-W460 HydrophobicContact CZ-CZ2 4.27Å; F170-W460 AromaticContact CZ-NE1 3.5Å; F170-F464 HydrophobicContact CB-CE2 4.23Å; F170-F464 AromaticContact CD2-CD2 3.9Å; F170-F464 HydrophobicContact CD2-CD2 3.9Å; F170-F464 AromaticContact CD2-CE2 3.84Å; F170-F464 HydrophobicContact CD2-CE2 3.84Å
171L97.4Very high93.6Very high0 Ų031.7 Ų31.70%016%0.157CC..  trans-94.6123.4176.9-168.562.9000111.6F99 D148 W169 T173 F175 G201 F202F99-L171 HydrophobicContact CD2-CD1 4.35Å; F99-L171 HydrophobicContact CD2-CD2 4.41Å; F99-L171 HydrophobicContact CE2-CD1 4.09Å; F99-L171 HydrophobicContact CE2-CD2 4.32Å; D148-L171 WeakPolarHBondContact OD1-CD1 3.49Å; W169-L171 HydrophobicContact CH2-CB 3.52Å; W169-L171 HydrophobicContact CH2-CD1 3.65Å; W169-L171 HydrophobicContact CH2-CD2 4.17Å; W169-L171 HydrophobicContact CH2-CG 3.95Å; W169-L171 HydrophobicContact CZ2-CB 4.28Å; W169-L171 HydrophobicContact CZ2-CD1 3.87Å; W169-L171 HydrophobicContact CZ3-CB 3.67Å; L171-T173 VanDerWaalsContact CD1-OG1 3.26Å; L171-T173 WeakPolarHBondContact CD1-OG1 3.18Å; L171-T173 WeakPolarHBondContact CG-O 3.09Å; L171-F175 HydrophobicContact CD2-CB 3.96Å; L171-F175 HydrophobicContact CD2-CD2 3.91Å; L171-F175 HydrophobicContact CD2-CG 4.45Å; L171-G201 PolarHBondContact N-O 3.35Å; L171-F202 HydrophobicContact CB-CD1 3.87Å; L171-F202 HydrophobicContact CB-CE1 3.88Å; L171-F202 HydrophobicContact CD2-CD1 4.04Å; L171-F202 HydrophobicContact CD2-CE1 3.73Å; L171-F202 HydrophobicContact CG-CE1 4.47Å
172H94.3Very high93.4Very high38 Ų3829.7 Ų29.718%0.17615%0.151CC..  trans-92.5-14.8178.9-69.7-81.4000113.6H147 D148 F170 H203 G380 W460H147-H172 AromaticContact CG-NE2 3.93Å; H147-H172 AromaticContact ND1-NE2 3.24Å; H147-H172 PolarHBondContact ND1-NE2 2.95Å; D148-H172 PolarHBondContact OD1-N 3.1Å; F170-H172 AromaticContact CD1-CD2 3.97Å; F170-H172 AromaticContact CD1-CE1 3.67Å; F170-H172 AromaticContact CD1-ND1 3.87Å; F170-H172 AromaticContact CD1-NE2 3.75Å; F170-H172 AromaticContact CE1-CE1 3.83Å; F170-H172 AromaticContact CE1-ND1 3.7Å; H172-H203 WeakPolarHBondContact CA-NE2 3.02Å; H172-H203 AromaticContact ND1-CE1 3.73Å; H172-H203 AromaticContact ND1-NE2 3.73Å; H172-H203 PolarHBondContact O-CD2 2.82Å; H172-H203 PolarHBondContact O-NE2 3.08Å; H172-G380 WeakPolarHBondContact O-CA 3.37Å; H172-W460 AromaticContact CE1-CZ2 3.96Å
173T95.3Very high93.5Very high5 Ų531 Ų313%0.03116%0.16CC..SBendtrans-91.5167.4172.553.60000110.8W96 Y149 L171W96-T173 HydrophobicContact CE3-CG2 4.03Å; W96-T173 HydrophobicContact CZ3-CG2 3.72Å; Y149-T173 HydrophobicContact CD1-CG2 3.55Å; Y149-T173 HydrophobicContact CE1-CG2 3.46Å; Y149-T173 VanDerWaalsContact CE1-CG2 3.46Å; L171-T173 VanDerWaalsContact CD1-OG1 3.26Å; L171-T173 WeakPolarHBondContact CD1-OG1 3.18Å; L171-T173 WeakPolarHBondContact CG-O 3.09Å
174P96.5Very high93.6Very high0 Ų027.3 Ų27.30%014%0.135CC..PPolyproline II helixtrans-60.1147.4167.3-19.533.2000110.8H100 F207 R378H100-P174 VanDerWaalsContact NE2-CD 3.29Å; H100-P174 WeakPolarHBondContact NE2-CD 3.4Å; P174-F207 HydrophobicContact CB-CD1 4.06Å; P174-F207 HydrophobicContact CB-CE1 3.64Å; P174-F207 HydrophobicContact CB-CE2 4.19Å; P174-F207 HydrophobicContact CB-CZ 3.71Å; P174-F207 HydrophobicContact CG-CE1 4.43Å; P174-F207 HydrophobicContact CG-CZ 4.07Å; P174-R378 HydrophobicContact CB-CG 4.34Å; P174-R378 HydrophobicContact CG-CG 3.89Å
175F97.3Very high93.8Very high0 Ų024.6 Ų24.60%013%0.132CC..PPolyproline II helixtrans-92.7127.3161-164.7-87000109.1L171 Y181 L191 F202 F207 H210 F211 A214L171-F175 HydrophobicContact CD2-CB 3.96Å; L171-F175 HydrophobicContact CD2-CD2 3.91Å; L171-F175 HydrophobicContact CD2-CG 4.45Å; F175-Y181 HydrophobicContact CE1-CD2 4.15Å; F175-Y181 HydrophobicContact CE1-CG 4.36Å; F175-Y181 HydrophobicContact CE2-CD2 4.02Å; F175-Y181 AromaticContact CE2-CE2 3.82Å; F175-Y181 HydrophobicContact CE2-CE2 3.82Å; F175-Y181 HydrophobicContact CZ-CD1 4.46Å; F175-Y181 AromaticContact CZ-CD2 3.51Å; F175-Y181 HydrophobicContact CZ-CD2 3.51Å; F175-Y181 AromaticContact CZ-CE2 3.62Å; F175-Y181 HydrophobicContact CZ-CE2 3.62Å; F175-Y181 AromaticContact CZ-CG 3.96Å; F175-Y181 HydrophobicContact CZ-CG 3.96Å; F175-L191 HydrophobicContact CE2-CD2 4.37Å; F175-L191 HydrophobicContact CZ-CD2 3.98Å; F175-F202 HydrophobicContact CB-CD1 4.18Å; F175-F202 HydrophobicContact CB-CE1 3.84Å; F175-F202 HydrophobicContact CD2-CE1 4.05Å; F175-F202 HydrophobicContact CG-CE1 4.16Å; F175-F207 HydrophobicContact CB-CB 4.02Å; F175-H210 HydrophobicContact CD1-CB 3.92Å; F175-F211 HydrophobicContact CD1-CB 3.86Å; F175-F211 VanDerWaalsContact CD1-N 3.35Å; F175-F211 HydrophobicContact CD2-CB 4.34Å; F175-F211 HydrophobicContact CD2-CD2 4.02Å; F175-F211 VanDerWaalsContact CE1-CA 3.47Å; F175-F211 HydrophobicContact CE1-CB 4.09Å; F175-F211 HydrophobicContact CE1-CD2 4.33Å; F175-F211 AromaticContact CE2-CD2 3.65Å; F175-F211 HydrophobicContact CE2-CD2 3.65Å; F175-F211 HydrophobicContact CE2-CE2 4.43Å; F175-F211 HydrophobicContact CG-CB 4Å; F175-F211 HydrophobicContact CZ-CB 4.42Å; F175-F211 AromaticContact CZ-CD2 3.82Å; F175-F211 HydrophobicContact CZ-CD2 3.82Å; F175-A214 HydrophobicContact CE1-CB 3.73Å; F175-A214 HydrophobicContact CZ-CB 4.05Å
176P96Very high93.9Very high0 Ų024.8 Ų24.80%013%0.133CC..PPolyproline II helixtrans-79160.2-174.834.3-36.2000111.7I98 F99 Y101 M180 Y181I98-P176 HydrophobicContact CG2-CG 4.36Å; F99-P176 HydrophobicContact CD1-CG 3.83Å; F99-P176 HydrophobicContact CE1-CG 4.38Å; Y101-P176 HydrophobicContact CD2-CB 4.42Å; Y101-P176 HydrophobicContact CE2-CB 3.96Å; P176-M180 HydrophobicContact CB-CB 3.97Å; P176-M180 HydrophobicContact CB-CG 3.78Å; P176-Y181 HydrophobicContact CG-CD2 3.96Å
177S93.4Very high94Very high30 Ų3027.5 Ų27.521%0.2114%0.142CC..PPolyproline II helixtrans-56.5156.6174.2690000111.2Y101 E179 M180 Y181Y101-S177 PolarHBondContact OH-N 3.22Å; S177-E179 PolarHBondContact O-N 3.17Å; S177-E179 VanDerWaalsContact O-N 3.15Å; S177-M180 PolarHBondContact O-N 3.06Å; S177-M180 VanDerWaalsContact O-N 3.09Å; S177-Y181 PolarHBondContact O-N 3.4Å
178S90.8Very high94Very high21 Ų2129.5 Ų29.515%0.14716%0.156CC..Hα-helixtrans-55.5-34.3179.252.90000112.9Y181 K182S178-Y181 PolarHBondContact O-N 2.65Å; S178-K182 VanDerWaalsContact O-CB 3.31Å; S178-K182 WeakPolarHBondContact O-CB 3.33Å; S178-K182 WeakPolarHBondContact O-CD 3.12Å; S178-K182 WeakPolarHBondContact O-CG 3.31Å; S178-K182 PolarHBondContact O-N 3.36Å
179E90.3Very high94.1Very high122 Ų12233.2 Ų33.257%0.5718%0.176SC*.Hα-helixtrans-66.5-42.6178.1-64.3-51.3115.100112.5S177 K182S177-E179 PolarHBondContact O-N 3.17Å; S177-E179 VanDerWaalsContact O-N 3.15Å; E179-K182 IonicContact OE1-NZ 3.9Å; E179-K182 PolarHBondContact OE1-NZ 3.01Å
180M93.2Very high94.1Very high41 Ų4133.2 Ų33.220%0.20218%0.176CC..Hα-helixtrans-71.5-41.8175179.660.962.900111I98 Y101 P176 S177 K182 T183I98-M180 HydrophobicContact CG2-CG 4.12Å; I98-M180 HydrophobicContact CG2-SD 4.49Å; I98-M180 VanDerWaalsContact O-CG 3.31Å; I98-M180 WeakPolarHBondContact O-CG 3.5Å; Y101-M180 HydrophobicContact CD1-CB 4.32Å; Y101-M180 HydrophobicContact CD1-CE 4.16Å; Y101-M180 HydrophobicContact CD1-CG 4.3Å; Y101-M180 HydrophobicContact CE1-CB 4.31Å; P176-M180 HydrophobicContact CB-CB 3.97Å; P176-M180 HydrophobicContact CB-CG 3.78Å; S177-M180 PolarHBondContact O-N 3.06Å; S177-M180 VanDerWaalsContact O-N 3.09Å; M180-K182 VanDerWaalsContact C-N 3.3Å; M180-K182 PolarHBondContact O-N 3.26Å; M180-T183 WeakPolarHBondContact O-CG2 3.39Å; M180-T183 PolarHBondContact O-N 3.33Å; M180-T183 PolarHBondContact O-OG1 3.17Å
181Y94Very high94Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-65.4-33.2179.4-166.1-94.4000112.6F99 F175 P176 S177 S178 T183 L184 R187 L190 L191 A214 I218F99-Y181 AromaticContact CE1-CD2 3.99Å; F99-Y181 HydrophobicContact CE1-CD2 3.99Å; F99-Y181 AromaticContact CE1-CE2 3.74Å; F99-Y181 HydrophobicContact CE1-CE2 3.74Å; F99-Y181 HydrophobicContact CZ-CE2 4.14Å; F175-Y181 HydrophobicContact CE1-CD2 4.15Å; F175-Y181 HydrophobicContact CE1-CG 4.36Å; F175-Y181 HydrophobicContact CE2-CD2 4.02Å; F175-Y181 AromaticContact CE2-CE2 3.82Å; F175-Y181 HydrophobicContact CE2-CE2 3.82Å; F175-Y181 HydrophobicContact CZ-CD1 4.46Å; F175-Y181 AromaticContact CZ-CD2 3.51Å; F175-Y181 HydrophobicContact CZ-CD2 3.51Å; F175-Y181 AromaticContact CZ-CE2 3.62Å; F175-Y181 HydrophobicContact CZ-CE2 3.62Å; F175-Y181 AromaticContact CZ-CG 3.96Å; F175-Y181 HydrophobicContact CZ-CG 3.96Å; P176-Y181 HydrophobicContact CG-CD2 3.96Å; S177-Y181 PolarHBondContact O-N 3.4Å; S178-Y181 PolarHBondContact O-N 2.65Å; Y181-T183 PolarHBondContact O-N 3.13Å; Y181-T183 VanDerWaalsContact O-N 3.14Å; Y181-L184 HydrophobicContact CE2-CD2 4.31Å; Y181-L184 WeakPolarHBondContact O-CB 3.37Å; Y181-L184 PolarHBondContact O-N 3.1Å; Y181-L184 VanDerWaalsContact O-N 3.09Å; Y181-R187 HydrophobicContact CD1-CB 3.97Å; Y181-R187 HydrophobicContact CE1-CB 3.54Å; Y181-R187 PolarHBondContact OH-O 2.56Å; Y181-L190 WeakPolarHBondContact OH-CB 3.4Å; Y181-L191 HydrophobicContact CD1-CD1 4.16Å; Y181-L191 HydrophobicContact CD1-CG 4.49Å; Y181-L191 HydrophobicContact CE1-CD1 3.52Å; Y181-L191 HydrophobicContact CE1-CD2 3.8Å; Y181-L191 HydrophobicContact CE1-CG 3.48Å; Y181-L191 VanDerWaalsContact CE1-CG 3.48Å; Y181-L191 WeakPolarHBondContact OH-CG 3.33Å; Y181-A214 HydrophobicContact CD1-CB 4.32Å; Y181-I218 HydrophobicContact CD1-CD1 3.49Å; Y181-I218 VanDerWaalsContact CD1-CD1 3.49Å; Y181-I218 HydrophobicContact CE1-CD1 4.06Å
182K91.1Very high93.8Very high71 Ų7138 Ų3831%0.30919%0.194SC..THydrogen-bonded Turntrans-59.8-21.7176.5-81.8167.1-170.9173.20113.2S178 E179 M180 L184 R187 I218S178-K182 VanDerWaalsContact O-CB 3.31Å; S178-K182 WeakPolarHBondContact O-CB 3.33Å; S178-K182 WeakPolarHBondContact O-CD 3.12Å; S178-K182 WeakPolarHBondContact O-CG 3.31Å; S178-K182 PolarHBondContact O-N 3.36Å; E179-K182 IonicContact OE1-NZ 3.9Å; E179-K182 PolarHBondContact OE1-NZ 3.01Å; M180-K182 VanDerWaalsContact C-N 3.3Å; M180-K182 PolarHBondContact O-N 3.26Å; K182-L184 PolarHBondContact O-N 3.36Å; K182-R187 PolarHBondContact O-NH1 3.24Å; K182-I218 HydrophobicContact CG-CD1 4.02Å; K182-I218 HydrophobicContact CG-CG1 4.07Å
183T91.5Very high93.9Very high67 Ų6736.1 Ų36.141%0.41119%0.186SC..THydrogen-bonded Turntrans-68.9-18.2177.3740000112.7M180 Y181 P185M180-T183 WeakPolarHBondContact O-CG2 3.39Å; M180-T183 PolarHBondContact O-N 3.33Å; M180-T183 PolarHBondContact O-OG1 3.17Å; Y181-T183 PolarHBondContact O-N 3.13Å; Y181-T183 VanDerWaalsContact O-N 3.14Å; T183-P185 WeakPolarHBondContact O-CD 3.15Å
184L91.7Very high93.9Very high0 Ų035.9 Ų35.90%018%0.184CC..  trans-76.5120.7178.6-177.364.7000111I94 L95 I98 Y116 Y181 K182 S186 R187 L190I94-L184 HydrophobicContact CG2-CD1 3.7Å; L95-L184 HydrophobicContact CD2-CD1 4.36Å; L95-L184 HydrophobicContact CD2-CD2 3.96Å; I98-L184 HydrophobicContact CD1-CB 4.18Å; I98-L184 HydrophobicContact CD1-CD1 3.94Å; Y116-L184 HydrophobicContact CE2-CD1 4.33Å; Y181-L184 HydrophobicContact CE2-CD2 4.31Å; Y181-L184 WeakPolarHBondContact O-CB 3.37Å; Y181-L184 PolarHBondContact O-N 3.1Å; Y181-L184 VanDerWaalsContact O-N 3.09Å; K182-L184 PolarHBondContact O-N 3.36Å; L184-S186 VanDerWaalsContact C-N 3.34Å; L184-S186 WeakPolarHBondContact CG-OG 3.46Å; L184-S186 PolarHBondContact O-N 3.25Å; L184-R187 HydrophobicContact CB-CB 4.3Å; L184-R187 WeakPolarHBondContact O-CB 3.49Å; L184-R187 WeakPolarHBondContact O-CD 3.48Å; L184-R187 VanDerWaalsContact O-CG 3.23Å; L184-R187 WeakPolarHBondContact O-CG 3.44Å; L184-R187 PolarHBondContact O-N 2.92Å; L184-L190 HydrophobicContact CD2-CD1 3.6Å
185P91.7Very high93.7Very high86 Ų8636.4 Ų36.456%0.55819%0.187SC*.THydrogen-bonded Turntrans-62.3-35.3178.7-24.132.8000114.4Y116 T183 R187Y116-P185 HydrophobicContact CD1-CB 4.43Å; Y116-P185 HydrophobicContact CD1-CG 4.33Å; Y116-P185 HydrophobicContact CD2-CG 4.28Å; Y116-P185 HydrophobicContact CE1-CB 3.66Å; Y116-P185 HydrophobicContact CE1-CG 3.86Å; Y116-P185 HydrophobicContact CE2-CB 4.35Å; Y116-P185 HydrophobicContact CE2-CG 3.77Å; Y116-P185 WeakPolarHBondContact OH-CD 3.33Å; T183-P185 WeakPolarHBondContact O-CD 3.15Å; P185-R187 VanDerWaalsContact C-N 3.28Å; P185-R187 PolarHBondContact O-N 3.36Å
186S93Very high93.5Very high4 Ų438.3 Ų38.33%0.02820%0.198CC..THydrogen-bonded Turntrans-86.813179.155.90000114.1Y90 Y116 L184 S188 D189 L190Y90-S186 WeakPolarHBondContact OH-CB 3.24Å; Y90-S186 PolarHBondContact OH-OG 3.47Å; Y116-S186 VanDerWaalsContact OH-CB 3.26Å; Y116-S186 WeakPolarHBondContact OH-CB 3.26Å; Y116-S186 PolarHBondContact OH-N 3.41Å; Y116-S186 PolarHBondContact OH-OG 3.3Å; L184-S186 VanDerWaalsContact C-N 3.34Å; L184-S186 WeakPolarHBondContact CG-OG 3.46Å; L184-S186 PolarHBondContact O-N 3.25Å; S186-S188 VanDerWaalsContact C-N 3.26Å; S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.13Å; S186-D189 PolarHBondContact O-N 3.1Å; S186-D189 VanDerWaalsContact O-N 3.14Å; S186-L190 PolarHBondContact O-N 3.27Å; S186-L190 VanDerWaalsContact O-N 3.16Å
187R94Very high93.4Very high93 Ų9338.3 Ų38.335%0.35120%0.199SC..Hα-helixtrans-48-42.4-176.158.8-173.4-178.1-113.8-7.7114.2Y181 K182 L184 P185 L191 I218Y181-R187 HydrophobicContact CD1-CB 3.97Å; Y181-R187 HydrophobicContact CE1-CB 3.54Å; Y181-R187 PolarHBondContact OH-O 2.56Å; K182-R187 PolarHBondContact O-NH1 3.24Å; L184-R187 HydrophobicContact CB-CB 4.3Å; L184-R187 WeakPolarHBondContact O-CB 3.49Å; L184-R187 WeakPolarHBondContact O-CD 3.48Å; L184-R187 VanDerWaalsContact O-CG 3.23Å; L184-R187 WeakPolarHBondContact O-CG 3.44Å; L184-R187 PolarHBondContact O-N 2.92Å; P185-R187 VanDerWaalsContact C-N 3.28Å; P185-R187 PolarHBondContact O-N 3.36Å; R187-L191 WeakPolarHBondContact O-CB 3.29Å; R187-L191 VanDerWaalsContact O-CG 3.26Å; R187-L191 WeakPolarHBondContact O-CG 3.24Å; R187-L191 PolarHBondContact O-N 2.81Å; R187-I218 HydrophobicContact CB-CD1 4.38Å; R187-I218 HydrophobicContact CB-CG2 4.45Å; R187-I218 HydrophobicContact CG-CG2 3.93Å
188S94.6Very high93.3Very high42 Ų4238.4 Ų38.429%0.29420%0.197SC..Hα-helixtrans-70.5-43.9-176.3-59.60000111.4S186 R192S186-S188 VanDerWaalsContact C-N 3.26Å; S186-S188 PolarHBondContact O-N 3.46Å; S186-S188 VanDerWaalsContact O-N 3.13Å; S188-R192 WeakPolarHBondContact O-CB 3.26Å; S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.44Å; S188-R192 PolarHBondContact O-N 2.87Å
189D95.4Very high93.3Very high78 Ų7837.4 Ų37.442%0.41719%0.19SC..Hα-helixtrans-63.6-46.7-178-60.7-4.6000111Y120 S186 R192 S193Y120-D189 WeakPolarHBondContact OH-CB 3.45Å; Y120-D189 PolarHBondContact OH-OD2 3.2Å; S186-D189 PolarHBondContact O-N 3.1Å; S186-D189 VanDerWaalsContact O-N 3.14Å; D189-R192 PolarHBondContact O-N 2.56Å; D189-S193 WeakPolarHBondContact O-CB 3.39Å; D189-S193 PolarHBondContact O-N 2.81Å
190L97.1Very high93.6Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-66.7-42.3-179.5-62.7-171000112.3L95 Y120 Y123 M152 L153 Y181 L184 S186 S193 V194L95-L190 HydrophobicContact CD2-CD1 3.83Å; Y120-L190 HydrophobicContact CE2-CD2 4.48Å; Y123-L190 HydrophobicContact CD1-CD2 4.5Å; Y123-L190 HydrophobicContact CE1-CD2 3.79Å; M152-L190 HydrophobicContact CB-CD2 4.23Å; M152-L190 HydrophobicContact CE-CB 4.06Å; M152-L190 HydrophobicContact CE-CD1 4.46Å; M152-L190 HydrophobicContact SD-CD1 4.08Å; L153-L190 HydrophobicContact CD1-CD2 4.47Å; L153-L190 HydrophobicContact CD2-CD2 3.86Å; L153-L190 HydrophobicContact CG-CD2 3.89Å; Y181-L190 WeakPolarHBondContact OH-CB 3.4Å; L184-L190 HydrophobicContact CD2-CD1 3.6Å; S186-L190 PolarHBondContact O-N 3.27Å; S186-L190 VanDerWaalsContact O-N 3.16Å; L190-S193 PolarHBondContact O-N 3.33Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 2.79Å
191L95.4Very high93.6Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-64.9-46.9176.8-70.5178.2000111.3F175 Y181 R187 S193 V194 L195 F211 A214 I218 L219F175-L191 HydrophobicContact CE2-CD2 4.37Å; F175-L191 HydrophobicContact CZ-CD2 3.98Å; Y181-L191 HydrophobicContact CD1-CD1 4.16Å; Y181-L191 HydrophobicContact CD1-CG 4.49Å; Y181-L191 HydrophobicContact CE1-CD1 3.52Å; Y181-L191 HydrophobicContact CE1-CD2 3.8Å; Y181-L191 HydrophobicContact CE1-CG 3.48Å; Y181-L191 VanDerWaalsContact CE1-CG 3.48Å; Y181-L191 WeakPolarHBondContact OH-CG 3.33Å; R187-L191 WeakPolarHBondContact O-CB 3.29Å; R187-L191 VanDerWaalsContact O-CG 3.26Å; R187-L191 WeakPolarHBondContact O-CG 3.24Å; R187-L191 PolarHBondContact O-N 2.81Å; L191-S193 PolarHBondContact O-N 2.87Å; L191-V194 PolarHBondContact O-N 3.41Å; L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.46Å; L191-F211 HydrophobicContact CD2-CD2 4.07Å; L191-F211 HydrophobicContact CD2-CE2 3.75Å; L191-A214 HydrophobicContact CD1-CB 4.32Å; L191-I218 HydrophobicContact CD1-CB 4.11Å; L191-I218 HydrophobicContact CD1-CD1 3.97Å; L191-I218 HydrophobicContact CD1-CG2 4.27Å; L191-L219 HydrophobicContact CB-CD1 3.71Å; L191-L219 HydrophobicContact CB-CD2 4.42Å; L191-L219 HydrophobicContact CB-CG 4.22Å; L191-L219 HydrophobicContact CD1-CG 4.35Å
192R93.6Very high93.7Very high99 Ų9929.6 Ų29.637%0.37415%0.153SC..Hα-helixtrans-58.3-39.7177.7-76.7-172.1-173.3-66.2-3.5111.4S188 D189 L195 T196 L219 D230S188-R192 WeakPolarHBondContact O-CB 3.26Å; S188-R192 VanDerWaalsContact O-CG 3.29Å; S188-R192 WeakPolarHBondContact O-CG 3.44Å; S188-R192 PolarHBondContact O-N 2.87Å; D189-R192 PolarHBondContact O-N 2.56Å; R192-L195 PolarHBondContact O-N 2.81Å; R192-T196 WeakPolarHBondContact O-CG2 3.24Å; R192-T196 PolarHBondContact O-N 2.91Å; R192-L219 HydrophobicContact CG-CD1 3.92Å; R192-L219 HydrophobicContact CG-CD2 3.81Å; R192-D230 IonicContact NH1-OD2 3.61Å
193S95.8Very high93.7Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-67.7-46.5179.9-171.60000112.8M152 L153 Q156 D189 L190 L191 L195 T196M152-S193 WeakPolarHBondContact O-CB 3.42Å; M152-S193 PolarHBondContact O-OG 2.99Å; M152-S193 VanDerWaalsContact O-OG 3.07Å; L153-S193 WeakPolarHBondContact CA-OG 3.44Å; L153-S193 PolarHBondContact O-OG 3.35Å; Q156-S193 WeakPolarHBondContact CB-OG 3.42Å; Q156-S193 PolarHBondContact N-OG 2.84Å; D189-S193 WeakPolarHBondContact O-CB 3.39Å; D189-S193 PolarHBondContact O-N 2.81Å; L190-S193 PolarHBondContact O-N 3.33Å; L191-S193 PolarHBondContact O-N 2.87Å; S193-L195 PolarHBondContact O-N 2.89Å; S193-T196 PolarHBondContact O-N 3.17Å; S193-T196 PolarHBondContact O-OG1 3.29Å
194V96.1Very high93.6Very high0 Ų023.5 Ų23.50%012%0.121CC..Hα-helixtrans-61.7-34.4176.1173.30000111.5M152 W169 L190 L191 T196 A197 V200 F211M152-V194 HydrophobicContact CB-CG2 3.97Å; M152-V194 HydrophobicContact CE-CG2 3.8Å; M152-V194 HydrophobicContact CG-CG2 4.27Å; W169-V194 HydrophobicContact CD2-CG1 4Å; W169-V194 HydrophobicContact CD2-CG2 4.3Å; W169-V194 HydrophobicContact CE3-CG1 3.66Å; W169-V194 HydrophobicContact CH2-CG1 4.43Å; W169-V194 HydrophobicContact CH2-CG2 4.35Å; W169-V194 HydrophobicContact CZ2-CG2 4.2Å; W169-V194 HydrophobicContact CZ3-CG1 3.87Å; L190-V194 WeakPolarHBondContact O-CG2 3.42Å; L190-V194 PolarHBondContact O-N 2.79Å; L191-V194 PolarHBondContact O-N 3.41Å; V194-T196 PolarHBondContact O-N 2.94Å; V194-A197 VanDerWaalsContact O-CB 3.3Å; V194-A197 WeakPolarHBondContact O-CB 3.32Å; V194-A197 PolarHBondContact O-N 2.85Å; V194-A197 VanDerWaalsContact O-N 3.11Å; V194-V200 HydrophobicContact CG1-CG1 4.1Å; V194-V200 HydrophobicContact CG1-CG2 3.72Å; V194-F211 HydrophobicContact CG1-CE2 4.08Å; V194-F211 HydrophobicContact CG1-CZ 3.93Å
195L92.1Very high93.4Very high10 Ų1030.2 Ų30.25%0.05215%0.147CC..THydrogen-bonded Turntrans-71.22.3175.5-68.9179.8000114.9L191 R192 S193 F211 C215 L219 V221 I228 T235L191-L195 WeakPolarHBondContact O-CB 3.38Å; L191-L195 VanDerWaalsContact O-CG 3.24Å; L191-L195 WeakPolarHBondContact O-CG 3.28Å; L191-L195 PolarHBondContact O-N 3.46Å; R192-L195 PolarHBondContact O-N 2.81Å; S193-L195 PolarHBondContact O-N 2.89Å; L195-F211 HydrophobicContact CD2-CE1 3.93Å; L195-F211 HydrophobicContact CD2-CZ 3.77Å; L195-F211 HydrophobicContact CG-CZ 4.33Å; L195-C215 HydrophobicContact CD1-CB 4.37Å; L195-L219 HydrophobicContact CD1-CD1 3.54Å; L195-V221 HydrophobicContact CD1-CG2 4.45Å; L195-I228 HydrophobicContact CD1-CD1 4.46Å; L195-I228 HydrophobicContact CD1-CG2 3.97Å; L195-I228 HydrophobicContact CD2-CB 3.94Å; L195-I228 HydrophobicContact CD2-CD1 3.55Å; L195-I228 HydrophobicContact CD2-CG1 4.35Å; L195-I228 HydrophobicContact CD2-CG2 3.95Å; L195-T235 HydrophobicContact CD2-CG2 4.18Å; L195-T235 PolarHBondContact O-OG1 3.21Å
196T93.1Very high93.2Very high40 Ų4028.2 Ų28.225%0.24513%0.132CC..THydrogen-bonded Turntrans-87.6-14.3166.571.80000112.4P155 Q156 K159 R192 S193 V194P155-T196 WeakPolarHBondContact CB-OG1 3.31Å; P155-T196 PolarHBondContact O-OG1 2.98Å; Q156-T196 WeakPolarHBondContact CA-OG1 3.36Å; Q156-T196 HydrophobicContact CB-CG2 3.97Å; Q156-T196 HydrophobicContact CG-CG2 4.19Å; Q156-T196 PolarHBondContact N-OG1 3.33Å; K159-T196 WeakPolarHBondContact CE-O 3.5Å; K159-T196 WeakPolarHBondContact CG-O 3.35Å; R192-T196 WeakPolarHBondContact O-CG2 3.24Å; R192-T196 PolarHBondContact O-N 2.91Å; S193-T196 PolarHBondContact O-N 3.17Å; S193-T196 PolarHBondContact O-OG1 3.29Å; V194-T196 PolarHBondContact O-N 2.94Å
197A93.4Very high93.2Very high1 Ų128.3 Ų28.31%0.00813%0.132CC..SBendtrans-64.2151.9175.100000111.4P155 V167 W169 V194 V200 T235P155-A197 HydrophobicContact CB-CB 4.14Å; V167-A197 HydrophobicContact CG1-CB 4.26Å; W169-A197 HydrophobicContact CB-CB 4.17Å; V194-A197 VanDerWaalsContact O-CB 3.3Å; V194-A197 WeakPolarHBondContact O-CB 3.32Å; V194-A197 PolarHBondContact O-N 2.85Å; V194-A197 VanDerWaalsContact O-N 3.11Å; A197-V200 HydrophobicContact CB-CG2 4.29Å; A197-T235 WeakPolarHBondContact O-CG2 3.45Å; A197-T235 PolarHBondContact O-OG1 2.84Å
198D90.7Very high93Very high31 Ų3124.2 Ų24.217%0.16612%0.118CC..SBendtrans-75.5-32174.5-57.7-66.2000111.5K159 K166 V167 R236 I472K159-D198 WeakPolarHBondContact CE-OD2 3.1Å; K159-D198 IonicContact NZ-OD1 2.68Å; K159-D198 PolarHBondContact NZ-OD1 3.11Å; K159-D198 IonicContact NZ-OD2 3.73Å; K159-D198 PolarHBondContact NZ-OD2 2.71Å; K166-D198 WeakPolarHBondContact CA-OD2 3.41Å; V167-D198 PolarHBondContact N-OD2 3.15Å; V167-D198 WeakPolarHBondContact O-CB 3.27Å; V167-D198 PolarHBondContact O-N 3.09Å; D198-R236 PolarHBondContact O-N 3.21Å; D198-I472 HydrophobicContact CB-CG1 4.48Å
199L92.3Very high92.7Very high0 Ų027 Ų270%012%0.122CC..EExtended strand (participates in β ladder)trans-139.5131.6177.3178.963.6000110.9V167 G168 W169 R236 A238 F240 F464 L467 T468V167-L199 PolarHBondContact O-N 2.94Å; G168-L199 CarbonylContact C-O 3.45Å; G168-L199 WeakPolarHBondContact CA-O 3.31Å; W169-L199 PolarHBondContact N-O 2.78Å; L199-R236 WeakPolarHBondContact CA-O 3.21Å; L199-R236 HydrophobicContact CD1-CB 4.09Å; L199-A238 HydrophobicContact CD1-CB 4.12Å; L199-F240 HydrophobicContact CD2-CE2 4.21Å; L199-F240 HydrophobicContact CD2-CZ 4.09Å; L199-F464 HydrophobicContact CD2-CD1 4.4Å; L199-F464 HydrophobicContact CD2-CD2 3.92Å; L199-F464 HydrophobicContact CD2-CE1 4.16Å; L199-F464 HydrophobicContact CD2-CE2 3.65Å; L199-F464 HydrophobicContact CD2-CG 4.28Å; L199-F464 HydrophobicContact CD2-CZ 3.79Å; L199-F464 HydrophobicContact CG-CE2 3.99Å; L199-F464 HydrophobicContact CG-CZ 4.09Å; L199-L467 HydrophobicContact CD1-CD2 3.87Å; L199-L467 HydrophobicContact CD1-CG 4.49Å; L199-L467 HydrophobicContact CD2-CB 4.24Å; L199-L467 HydrophobicContact CD2-CD2 4.26Å; L199-L467 HydrophobicContact CD2-CG 4.38Å; L199-T468 VanDerWaalsContact CD2-OG1 3.25Å; L199-T468 WeakPolarHBondContact CD2-OG1 3.49Å
200V94.8Very high92.5Very high0 Ų024.9 Ų24.90%011%0.109CC..EExtended strand (participates in β ladder)trans-113.2123.3172.2176.50000108.6W169 V194 A197 F202 F211 T235 R236 V237 A238W169-V200 HydrophobicContact CE3-CG1 3.86Å; W169-V200 HydrophobicContact CZ3-CG1 4.02Å; W169-V200 CarbonylContact O-C 3.44Å; W169-V200 WeakPolarHBondContact O-CA 3.44Å; V194-V200 HydrophobicContact CG1-CG1 4.1Å; V194-V200 HydrophobicContact CG1-CG2 3.72Å; A197-V200 HydrophobicContact CB-CG2 4.29Å; V200-F202 HydrophobicContact CG1-CD2 4.3Å; V200-F202 HydrophobicContact CG1-CE2 3.4Å; V200-F202 HydrophobicContact CG1-CZ 3.6Å; V200-F211 HydrophobicContact CG1-CD1 4.42Å; V200-F211 HydrophobicContact CG1-CE1 3.99Å; V200-F211 HydrophobicContact CG1-CZ 4.14Å; V200-T235 HydrophobicContact CB-CG2 4.45Å; V200-T235 HydrophobicContact CG2-CG2 3.55Å; V200-R236 PolarHBondContact N-O 3.31Å; V200-V237 HydrophobicContact CB-CG2 4.3Å; V200-V237 WeakPolarHBondContact O-CA 3.32Å; V200-A238 PolarHBondContact O-N 3.16Å
201G94.8Very high92.4Very high0 Ų024.9 Ų24.90%011%0.109CC..EExtended strand (participates in β ladder)trans-116.4141.9-177.800000114W169 F170 L171 A238W169-G201 PolarHBondContact O-N 2.89Å; F170-G201 WeakPolarHBondContact CA-O 3.18Å; L171-G201 PolarHBondContact N-O 3.35Å; G201-A238 WeakPolarHBondContact CA-O 3.45Å
202F94.8Very high92.1Very high0 Ų026.5 Ų26.50%012%0.118CC..EExtended strand (participates in β ladder)trans-130.9161175.4-61.7-82.1000111.7W169 L171 F175 V200 F207 A208 F211 V237 A238 V239 F240W169-F202 HydrophobicContact CZ3-CE1 4.24Å; W169-F202 HydrophobicContact CZ3-CZ 4.27Å; L171-F202 HydrophobicContact CB-CD1 3.87Å; L171-F202 HydrophobicContact CB-CE1 3.88Å; L171-F202 HydrophobicContact CD2-CD1 4.04Å; L171-F202 HydrophobicContact CD2-CE1 3.73Å; L171-F202 HydrophobicContact CG-CE1 4.47Å; F175-F202 HydrophobicContact CB-CD1 4.18Å; F175-F202 HydrophobicContact CB-CE1 3.84Å; F175-F202 HydrophobicContact CD2-CE1 4.05Å; F175-F202 HydrophobicContact CG-CE1 4.16Å; V200-F202 HydrophobicContact CG1-CD2 4.3Å; V200-F202 HydrophobicContact CG1-CE2 3.4Å; V200-F202 HydrophobicContact CG1-CZ 3.6Å; F202-F207 HydrophobicContact CB-CB 4.02Å; F202-F207 HydrophobicContact CD1-CB 4.03Å; F202-F207 HydrophobicContact CG-CB 4.22Å; F202-A208 HydrophobicContact CB-CB 4.39Å; F202-A208 HydrophobicContact CD2-CB 3.79Å; F202-A208 HydrophobicContact CG-CB 4.36Å; F202-F211 HydrophobicContact CE1-CB 4.2Å; F202-F211 HydrophobicContact CE1-CG 4.42Å; F202-F211 HydrophobicContact CE2-CB 3.74Å; F202-F211 AromaticContact CE2-CD1 3.77Å; F202-F211 HydrophobicContact CE2-CD1 3.77Å; F202-F211 HydrophobicContact CE2-CD2 4.43Å; F202-F211 HydrophobicContact CE2-CE1 4.49Å; F202-F211 AromaticContact CE2-CG 3.73Å; F202-F211 HydrophobicContact CE2-CG 3.73Å; F202-F211 HydrophobicContact CZ-CB 3.44Å; F202-F211 VanDerWaalsContact CZ-CB 3.44Å; F202-F211 AromaticContact CZ-CD1 3.84Å; F202-F211 HydrophobicContact CZ-CD1 3.84Å; F202-F211 AromaticContact CZ-CD2 3.66Å; F202-F211 HydrophobicContact CZ-CD2 3.66Å; F202-F211 HydrophobicContact CZ-CE1 4.5Å; F202-F211 HydrophobicContact CZ-CE2 4.34Å; F202-F211 AromaticContact CZ-CG 3.36Å; F202-F211 HydrophobicContact CZ-CG 3.36Å; F202-V237 HydrophobicContact CD2-CG1 4.04Å; F202-V237 HydrophobicContact CE2-CG1 3.82Å; F202-A238 PolarHBondContact N-O 3.2Å; F202-V239 CarbonylContact O-C 3.42Å; F202-V239 WeakPolarHBondContact O-CA 3.33Å; F202-F240 PolarHBondContact O-N 3.35Å
203H91.9Very high91.8Very high6 Ų624 Ų243%0.02811%0.112CC..SBendtrans-70.5-36176.9-72.6-42.1000115.1F170 H172 F207 V239 F240 I242 G380 M381F170-H203 AromaticContact CE1-CE1 3.31Å; F170-H203 WeakPolarHBondContact CE1-CE1 3.36Å; F170-H203 AromaticContact CE1-ND1 3.66Å; F170-H203 AromaticContact CE1-NE2 3.94Å; F170-H203 AromaticContact CZ-CE1 3.56Å; F170-H203 AromaticContact CZ-ND1 3.41Å; F170-H203 WeakPolarHBondContact CZ-ND1 3.26Å; H172-H203 WeakPolarHBondContact CA-NE2 3.02Å; H172-H203 AromaticContact ND1-CE1 3.73Å; H172-H203 AromaticContact ND1-NE2 3.73Å; H172-H203 PolarHBondContact O-CD2 2.82Å; H172-H203 PolarHBondContact O-NE2 3.08Å; H203-F207 HydrophobicContact CB-CD2 4.3Å; H203-F207 HydrophobicContact CB-CE2 4.3Å; H203-V239 WeakPolarHBondContact O-CG1 3.28Å; H203-F240 PolarHBondContact ND1-O 3.34Å; H203-I242 WeakPolarHBondContact CE1-CG2 3.41Å; H203-G380 VanDerWaalsContact CD2-C 3.49Å; H203-M381 HydrophobicContact CB-CE 4Å
204T88.3Confident91.5Very high3 Ų324 Ų242%0.01811%0.112CC..SBendtrans-132158.5-173.769.20000111.3D206 F207 A208T204-D206 VanDerWaalsContact C-N 3.26Å; T204-D206 PolarHBondContact O-N 3.45Å; T204-F207 HydrophobicContact CG2-CD2 4.28Å; T204-F207 HydrophobicContact CG2-CE2 3.92Å; T204-F207 HydrophobicContact CG2-CZ 4.35Å; T204-F207 PolarHBondContact O-N 3Å; T204-F207 WeakPolarHBondContact OG1-CD2 3.32Å; T204-F207 WeakPolarHBondContact OG1-CE2 3.49Å; T204-F207 WeakPolarHBondContact OG1-CG 3.43Å; T204-F207 PolarHBondContact OG1-N 3.45Å; T204-A208 PolarHBondContact O-N 3Å
205Y87.6Confident91.2Very high141 Ų14124 Ų2455%0.55311%0.112SC*.Hα-helixtrans-62.2-34.8175.3179.2-100.7000112.3F207 A208 R209Y205-F207 VanDerWaalsContact C-N 3.34Å; Y205-F207 PolarHBondContact O-N 3.36Å; Y205-A208 PolarHBondContact O-N 2.81Å; Y205-R209 HydrophobicContact CE1-CB 4.35Å; Y205-R209 VanDerWaalsContact O-CB 3.32Å; Y205-R209 WeakPolarHBondContact O-CB 3.39Å; Y205-R209 PolarHBondContact O-N 3.18Å
206D88.1Confident90.9Very high44 Ų4424.6 Ų24.624%0.23512%0.115CC..Hα-helixtrans-60.8-43.1177.7-75.2-37.8000112.5T204 R209 H210 Q409T204-D206 VanDerWaalsContact C-N 3.26Å; T204-D206 PolarHBondContact O-N 3.45Å; D206-R209 PolarHBondContact O-N 3.26Å; D206-R209 IonicContact OD1-CZ 2.85Å; D206-R209 IonicContact OD1-NE 2.79Å; D206-R209 IonicContact OD1-NH2 2.65Å; D206-R209 PolarHBondContact OD1-NH2 3.17Å; D206-H210 WeakPolarHBondContact O-CB 3.34Å; D206-H210 PolarHBondContact O-CD2 2.61Å; D206-H210 PolarHBondContact O-N 3.14Å; D206-Q409 PolarHBondContact OD2-NE2 3.14Å
207F94.1Very high90.4Very high7 Ų724.5 Ų24.53%0.03112%0.115CC..Hα-helixtrans-67.6-42179.3-54.7-21.9000111.1P174 F175 F202 H203 T204 Y205 H210 F211P174-F207 HydrophobicContact CB-CD1 4.06Å; P174-F207 HydrophobicContact CB-CE1 3.64Å; P174-F207 HydrophobicContact CB-CE2 4.19Å; P174-F207 HydrophobicContact CB-CZ 3.71Å; P174-F207 HydrophobicContact CG-CE1 4.43Å; P174-F207 HydrophobicContact CG-CZ 4.07Å; F175-F207 HydrophobicContact CB-CB 4.02Å; F202-F207 HydrophobicContact CB-CB 4.02Å; F202-F207 HydrophobicContact CD1-CB 4.03Å; F202-F207 HydrophobicContact CG-CB 4.22Å; H203-F207 HydrophobicContact CB-CD2 4.3Å; H203-F207 HydrophobicContact CB-CE2 4.3Å; T204-F207 HydrophobicContact CG2-CD2 4.28Å; T204-F207 HydrophobicContact CG2-CE2 3.92Å; T204-F207 HydrophobicContact CG2-CZ 4.35Å; T204-F207 PolarHBondContact O-N 3Å; T204-F207 WeakPolarHBondContact OG1-CD2 3.32Å; T204-F207 WeakPolarHBondContact OG1-CE2 3.49Å; T204-F207 WeakPolarHBondContact OG1-CG 3.43Å; T204-F207 PolarHBondContact OG1-N 3.45Å; Y205-F207 VanDerWaalsContact C-N 3.34Å; Y205-F207 PolarHBondContact O-N 3.36Å; F207-H210 PolarHBondContact O-N 3.43Å; F207-F211 PolarHBondContact O-N 3.37Å
208A89.6Confident90.1Very high6 Ų626 Ų265%0.0512%0.123CC..Hα-helixtrans-60.3-47174.300000111.6F202 T204 Y205 H210 F211 L212 V237 V239F202-A208 HydrophobicContact CB-CB 4.39Å; F202-A208 HydrophobicContact CD2-CB 3.79Å; F202-A208 HydrophobicContact CG-CB 4.36Å; T204-A208 PolarHBondContact O-N 3Å; Y205-A208 PolarHBondContact O-N 2.81Å; A208-H210 PolarHBondContact O-N 3.42Å; A208-F211 WeakPolarHBondContact O-CB 3.07Å; A208-F211 PolarHBondContact O-N 3.01Å; A208-L212 WeakPolarHBondContact O-CG 3.15Å; A208-L212 PolarHBondContact O-N 3.25Å; A208-V237 HydrophobicContact CB-CG1 4.1Å; A208-V239 HydrophobicContact CB-CG2 3.88Å
209R88.1Confident89.9Confident101 Ų10125.5 Ų25.538%0.38112%0.12SC..Hα-helixtrans-60.4-43.6176.5-179.7177.961.7165-3.7112.1Y205 D206 F211 L212 N213Y205-R209 HydrophobicContact CE1-CB 4.35Å; Y205-R209 VanDerWaalsContact O-CB 3.32Å; Y205-R209 WeakPolarHBondContact O-CB 3.39Å; Y205-R209 PolarHBondContact O-N 3.18Å; D206-R209 PolarHBondContact O-N 3.26Å; D206-R209 IonicContact OD1-CZ 2.85Å; D206-R209 IonicContact OD1-NE 2.79Å; D206-R209 IonicContact OD1-NH2 2.65Å; D206-R209 PolarHBondContact OD1-NH2 3.17Å; R209-F211 VanDerWaalsContact C-N 3.32Å; R209-F211 PolarHBondContact O-N 2.97Å; R209-L212 PolarHBondContact O-N 2.94Å; R209-N213 WeakPolarHBondContact O-CB 3.35Å; R209-N213 PolarHBondContact O-N 3.16Å
210H91.7Very high89.2Confident33 Ų3327.5 Ų27.515%0.15314%0.14CC..Hα-helixtrans-63.2-38.6176.5-69.9-35.5000112.3F175 D206 F207 A208 N213 A214F175-H210 HydrophobicContact CD1-CB 3.92Å; D206-H210 WeakPolarHBondContact O-CB 3.34Å; D206-H210 PolarHBondContact O-CD2 2.61Å; D206-H210 PolarHBondContact O-N 3.14Å; F207-H210 PolarHBondContact O-N 3.43Å; A208-H210 PolarHBondContact O-N 3.42Å; H210-N213 PolarHBondContact O-N 2.85Å; H210-A214 WeakPolarHBondContact O-CB 3.25Å; H210-A214 PolarHBondContact O-N 3.47Å
211F94.3Very high88.5Confident0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-62.5-50.9173.7176.3-101.1000112F175 L191 V194 L195 V200 F202 F207 A208 R209 N213 A214 C215 I228 V237F175-F211 HydrophobicContact CD1-CB 3.86Å; F175-F211 VanDerWaalsContact CD1-N 3.35Å; F175-F211 HydrophobicContact CD2-CB 4.34Å; F175-F211 HydrophobicContact CD2-CD2 4.02Å; F175-F211 VanDerWaalsContact CE1-CA 3.47Å; F175-F211 HydrophobicContact CE1-CB 4.09Å; F175-F211 HydrophobicContact CE1-CD2 4.33Å; F175-F211 AromaticContact CE2-CD2 3.65Å; F175-F211 HydrophobicContact CE2-CD2 3.65Å; F175-F211 HydrophobicContact CE2-CE2 4.43Å; F175-F211 HydrophobicContact CG-CB 4Å; F175-F211 HydrophobicContact CZ-CB 4.42Å; F175-F211 AromaticContact CZ-CD2 3.82Å; F175-F211 HydrophobicContact CZ-CD2 3.82Å; L191-F211 HydrophobicContact CD2-CD2 4.07Å; L191-F211 HydrophobicContact CD2-CE2 3.75Å; V194-F211 HydrophobicContact CG1-CE2 4.08Å; V194-F211 HydrophobicContact CG1-CZ 3.93Å; L195-F211 HydrophobicContact CD2-CE1 3.93Å; L195-F211 HydrophobicContact CD2-CZ 3.77Å; L195-F211 HydrophobicContact CG-CZ 4.33Å; V200-F211 HydrophobicContact CG1-CD1 4.42Å; V200-F211 HydrophobicContact CG1-CE1 3.99Å; V200-F211 HydrophobicContact CG1-CZ 4.14Å; F202-F211 HydrophobicContact CE1-CB 4.2Å; F202-F211 HydrophobicContact CE1-CG 4.42Å; F202-F211 HydrophobicContact CE2-CB 3.74Å; F202-F211 AromaticContact CE2-CD1 3.77Å; F202-F211 HydrophobicContact CE2-CD1 3.77Å; F202-F211 HydrophobicContact CE2-CD2 4.43Å; F202-F211 HydrophobicContact CE2-CE1 4.49Å; F202-F211 AromaticContact CE2-CG 3.73Å; F202-F211 HydrophobicContact CE2-CG 3.73Å; F202-F211 HydrophobicContact CZ-CB 3.44Å; F202-F211 VanDerWaalsContact CZ-CB 3.44Å; F202-F211 AromaticContact CZ-CD1 3.84Å; F202-F211 HydrophobicContact CZ-CD1 3.84Å; F202-F211 AromaticContact CZ-CD2 3.66Å; F202-F211 HydrophobicContact CZ-CD2 3.66Å; F202-F211 HydrophobicContact CZ-CE1 4.5Å; F202-F211 HydrophobicContact CZ-CE2 4.34Å; F202-F211 AromaticContact CZ-CG 3.36Å; F202-F211 HydrophobicContact CZ-CG 3.36Å; F207-F211 PolarHBondContact O-N 3.37Å; A208-F211 WeakPolarHBondContact O-CB 3.07Å; A208-F211 PolarHBondContact O-N 3.01Å; R209-F211 VanDerWaalsContact C-N 3.32Å; R209-F211 PolarHBondContact O-N 2.97Å; F211-N213 VanDerWaalsContact C-N 3.29Å; F211-N213 PolarHBondContact O-N 2.79Å; F211-A214 PolarHBondContact O-N 3.06Å; F211-A214 VanDerWaalsContact O-N 3.1Å; F211-C215 PolarHBondContact O-N 3.49Å; F211-C215 PolarHBondContact O-SG 3.23Å; F211-C215 VanDerWaalsContact O-SG 3.35Å; F211-I228 HydrophobicContact CD1-CD1 4.25Å; F211-I228 HydrophobicContact CE1-CD1 3.81Å; F211-V237 HydrophobicContact CD1-CG1 4.28Å; F211-V237 HydrophobicContact CD1-CG2 4.13Å; F211-V237 HydrophobicContact CE1-CG2 3.91Å
212L88.4Confident87.4Confident35 Ų3532.6 Ų32.618%0.18317%0.165CC..Hα-helixtrans-54.4-46.7176.5-66.5174.7000111.3A208 R209 A214 C215 M216 A223 I228 V237A208-L212 WeakPolarHBondContact O-CG 3.15Å; A208-L212 PolarHBondContact O-N 3.25Å; R209-L212 PolarHBondContact O-N 2.94Å; L212-A214 PolarHBondContact O-N 3.3Å; L212-C215 PolarHBondContact O-N 3.33Å; L212-M216 WeakPolarHBondContact O-CG 3.45Å; L212-M216 PolarHBondContact O-N 2.99Å; L212-A223 HydrophobicContact CD2-CB 4.12Å; L212-I228 HydrophobicContact CD2-CD1 3.73Å; L212-I228 HydrophobicContact CD2-CG1 3.62Å; L212-V237 HydrophobicContact CD2-CB 4.08Å; L212-V237 HydrophobicContact CD2-CG1 4.31Å; L212-V237 HydrophobicContact CD2-CG2 3.82Å
213N87.4Confident86.3Confident46 Ų4633 Ų3325%0.24617%0.169CC..Hα-helixtrans-64.1-41177.6-73.4-7.9000112.7R209 H210 F211 M216 C217R209-N213 WeakPolarHBondContact O-CB 3.35Å; R209-N213 PolarHBondContact O-N 3.16Å; H210-N213 PolarHBondContact O-N 2.85Å; F211-N213 VanDerWaalsContact C-N 3.29Å; F211-N213 PolarHBondContact O-N 2.79Å; N213-M216 HydrophobicContact CB-CE 4.48Å; N213-M216 PolarHBondContact O-N 3.41Å; N213-M216 WeakPolarHBondContact OD1-CE 3.37Å; N213-C217 VanDerWaalsContact O-CB 3.29Å; N213-C217 WeakPolarHBondContact O-CB 3.45Å; N213-C217 PolarHBondContact O-N 2.8Å; N213-C217 PolarHBondContact O-SG 3.47Å
214A90.4Very high85.1Confident0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-63-44.3176.700000111.4F175 Y181 L191 H210 F211 L212 C217 I218F175-A214 HydrophobicContact CE1-CB 3.73Å; F175-A214 HydrophobicContact CZ-CB 4.05Å; Y181-A214 HydrophobicContact CD1-CB 4.32Å; L191-A214 HydrophobicContact CD1-CB 4.32Å; H210-A214 WeakPolarHBondContact O-CB 3.25Å; H210-A214 PolarHBondContact O-N 3.47Å; F211-A214 PolarHBondContact O-N 3.06Å; F211-A214 VanDerWaalsContact O-N 3.1Å; L212-A214 PolarHBondContact O-N 3.3Å; A214-C217 PolarHBondContact O-N 3.42Å; A214-I218 HydrophobicContact CB-CD1 4.31Å; A214-I218 VanDerWaalsContact O-CB 3.23Å; A214-I218 WeakPolarHBondContact O-CB 3.19Å; A214-I218 WeakPolarHBondContact O-CG1 3.45Å; A214-I218 PolarHBondContact O-N 2.98Å
215C89.8Confident83.9Confident0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-59.8-49.7175.4-67.60000111.8L195 F211 L212 C217 L219 G220 V221 I228L195-C215 HydrophobicContact CD1-CB 4.37Å; F211-C215 PolarHBondContact O-N 3.49Å; F211-C215 PolarHBondContact O-SG 3.23Å; F211-C215 VanDerWaalsContact O-SG 3.35Å; L212-C215 PolarHBondContact O-N 3.33Å; C215-C217 PolarHBondContact O-N 3.19Å; C215-L219 WeakPolarHBondContact O-CA 3.41Å; C215-L219 VanDerWaalsContact O-CB 3.29Å; C215-L219 WeakPolarHBondContact O-CB 3.09Å; C215-L219 PolarHBondContact O-N 3.34Å; C215-G220 PolarHBondContact O-N 3.42Å; C215-V221 HydrophobicContact CB-CG2 3.8Å; C215-I228 HydrophobicContact CB-CD1 3.38Å; C215-I228 HydrophobicContact CB-CG1 4.43Å; C215-I228 WeakPolarHBondContact SG-CD1 3.38Å
216M84.6Confident82.5Confident22 Ų2239.2 Ų39.211%0.10822%0.22CC..Hα-helixtrans-59.5-46.4177.2-71.8-168.6-68.300112.6L212 N213 G220 A223 W658L212-M216 WeakPolarHBondContact O-CG 3.45Å; L212-M216 PolarHBondContact O-N 2.99Å; N213-M216 HydrophobicContact CB-CE 4.48Å; N213-M216 PolarHBondContact O-N 3.41Å; N213-M216 WeakPolarHBondContact OD1-CE 3.37Å; M216-G220 VanDerWaalsContact O-CA 3.3Å; M216-G220 WeakPolarHBondContact O-CA 3.46Å; M216-G220 PolarHBondContact O-N 3.45Å; M216-G220 VanDerWaalsContact O-N 3.16Å; M216-A223 HydrophobicContact CG-CB 4.16Å; M216-A223 HydrophobicContact SD-CB 4.18Å; M216-W658 HydrophobicContact CE-CE3 3.55Å; M216-W658 HydrophobicContact CE-CH2 4.14Å; M216-W658 HydrophobicContact CE-CZ3 3.24Å; M216-W658 HydrophobicContact CG-CZ3 4.49Å; M216-W658 HydrophobicContact SD-CE3 3.89Å; M216-W658 HydrophobicContact SD-CH2 3.39Å; M216-W658 WeakPolarHBondContact SD-CH2 3.23Å; M216-W658 HydrophobicContact SD-CZ2 4.39Å; M216-W658 HydrophobicContact SD-CZ3 3.13Å; M216-W658 WeakPolarHBondContact SD-CZ3 3.39Å
217C82.1Confident81.8Confident39 Ų3937.2 Ų37.226%0.26421%0.21SC..Hα-helixtrans-71.4-37.4-175.2-68.70000113.1N213 A214 C215 Q655N213-C217 VanDerWaalsContact O-CB 3.29Å; N213-C217 WeakPolarHBondContact O-CB 3.45Å; N213-C217 PolarHBondContact O-N 2.8Å; N213-C217 PolarHBondContact O-SG 3.47Å; A214-C217 PolarHBondContact O-N 3.42Å; C215-C217 PolarHBondContact O-N 3.19Å; C217-Q655 PolarHBondContact SG-NE2 2.79Å
218I87.3Confident81.1Confident32 Ų3236.9 Ų36.916%0.16421%0.209CC..Hα-helixtrans-96.6-39.9-170-63.2167.2000111.3Y181 K182 R187 L191 A214Y181-I218 HydrophobicContact CD1-CD1 3.49Å; Y181-I218 VanDerWaalsContact CD1-CD1 3.49Å; Y181-I218 HydrophobicContact CE1-CD1 4.06Å; K182-I218 HydrophobicContact CG-CD1 4.02Å; K182-I218 HydrophobicContact CG-CG1 4.07Å; R187-I218 HydrophobicContact CB-CD1 4.38Å; R187-I218 HydrophobicContact CB-CG2 4.45Å; R187-I218 HydrophobicContact CG-CG2 3.93Å; L191-I218 HydrophobicContact CD1-CB 4.11Å; L191-I218 HydrophobicContact CD1-CD1 3.97Å; L191-I218 HydrophobicContact CD1-CG2 4.27Å; A214-I218 HydrophobicContact CB-CD1 4.31Å; A214-I218 VanDerWaalsContact O-CB 3.23Å; A214-I218 WeakPolarHBondContact O-CB 3.19Å; A214-I218 WeakPolarHBondContact O-CG1 3.45Å; A214-I218 PolarHBondContact O-N 2.98Å
219L87.2Confident80.5Confident21 Ų2138.6 Ų38.611%0.1122%0.218CC..Hα-helixtrans-98.2-19.1-177-54.6-177.6000113.1L191 R192 L195 C215 V221L191-L219 HydrophobicContact CB-CD1 3.71Å; L191-L219 HydrophobicContact CB-CD2 4.42Å; L191-L219 HydrophobicContact CB-CG 4.22Å; L191-L219 HydrophobicContact CD1-CG 4.35Å; R192-L219 HydrophobicContact CG-CD1 3.92Å; R192-L219 HydrophobicContact CG-CD2 3.81Å; L195-L219 HydrophobicContact CD1-CD1 3.54Å; C215-L219 WeakPolarHBondContact O-CA 3.41Å; C215-L219 VanDerWaalsContact O-CB 3.29Å; C215-L219 WeakPolarHBondContact O-CB 3.09Å; C215-L219 PolarHBondContact O-N 3.34Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 HydrophobicContact CB-CG1 3.88Å; L219-V221 HydrophobicContact CB-CG2 4.22Å; L219-V221 PolarHBondContact O-N 3.33Å
220G77.6Confident79.8Confident41 Ų4135.6 Ų35.642%0.42321%0.21SC..  trans73.316.7-17600000114.3C215 M216C215-G220 PolarHBondContact O-N 3.42Å; M216-G220 VanDerWaalsContact O-CA 3.3Å; M216-G220 WeakPolarHBondContact O-CA 3.46Å; M216-G220 PolarHBondContact O-N 3.45Å; M216-G220 VanDerWaalsContact O-N 3.16Å
221V80.8Confident78.7Confident14 Ų1442.2 Ų42.29%0.08524%0.241CC..  trans-78.3159.4179-62.70000111.8L195 C215 L219 I228 D230L195-V221 HydrophobicContact CD1-CG2 4.45Å; C215-V221 HydrophobicContact CB-CG2 3.8Å; L219-V221 VanDerWaalsContact C-N 3.26Å; L219-V221 HydrophobicContact CB-CG1 3.88Å; L219-V221 HydrophobicContact CB-CG2 4.22Å; L219-V221 PolarHBondContact O-N 3.33Å; V221-I228 HydrophobicContact CB-CG2 3.94Å; V221-I228 HydrophobicContact CG2-CG2 3.54Å; V221-D230 HydrophobicContact CG1-CB 3.89Å; V221-D230 WeakPolarHBondContact CG1-OD1 3.05Å
222E71.9Confident77.4Confident94 Ų9445.6 Ų45.644%0.43928%0.276SS..EExtended strand (participates in β ladder)trans-89.9136.1177.6-62.1-170.5160.900110.3I228 V229E222-I228 CarbonylContact O-C 3.46Å; E222-I228 WeakPolarHBondContact O-CA 3.36Å; E222-V229 PolarHBondContact N-O 2.97Å; E222-V229 PolarHBondContact O-N 3.15Å
223A71.5Confident76.7Confident9 Ų950.7 Ų50.77%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-104.8145.5167.300000110.1L212 M216 G227 I228 W658L212-A223 HydrophobicContact CD2-CB 4.12Å; M216-A223 HydrophobicContact CG-CB 4.16Å; M216-A223 HydrophobicContact SD-CB 4.18Å; A223-G227 CarbonylContact C-O 3.57Å; A223-G227 VanDerWaalsContact CA-O 3.27Å; A223-G227 WeakPolarHBondContact CA-O 3.12Å; A223-I228 HydrophobicContact CB-CG1 4.1Å; A223-W658 HydrophobicContact CB-CH2 3.33Å; A223-W658 HydrophobicContact CB-CZ3 3.5Å; A223-W658 VanDerWaalsContact CB-CZ3 3.5Å; A223-W658 WeakPolarHBondContact O-CH2 3.24Å; A223-W658 VanDerWaalsContact O-CZ2 3.26Å; A223-W658 WeakPolarHBondContact O-CZ2 3.3Å
224T67.3Low76.3Confident53 Ų5352 Ų5233%0.32531%0.306SS..EExtended strand (participates in β ladder)trans-125.5174.1178660000108.5E226 G227 V229T224-E226 PolarHBondContact O-N 2.71Å; T224-E226 PolarHBondContact OG1-N 3.24Å; T224-G227 PolarHBondContact N-O 3.34Å; T224-G227 PolarHBondContact O-N 3.01Å; T224-G227 PolarHBondContact OG1-N 3.08Å; T224-V229 HydrophobicContact CG2-CG2 3.83Å
225S61.6Low76.2Confident126 Ų12652.3 Ų52.388%0.88131%0.308SS*.THydrogen-bonded Turntrans-59.8-22.8172.651.10000113.1
226E59.6Low76.1Confident100 Ų10054.8 Ų54.847%0.46732%0.317SS..THydrogen-bonded Turntrans-90-21.7178.3-61.7-158.3174.400113.9T224 R236 V237T224-E226 PolarHBondContact O-N 2.71Å; T224-E226 PolarHBondContact OG1-N 3.24Å; E226-R236 VanDerWaalsContact O-CA 3.24Å; E226-R236 WeakPolarHBondContact O-CA 3.38Å; E226-R236 WeakPolarHBondContact O-CG 3.49Å; E226-R236 IonicContact OE1-NH2 3.97Å; E226-R236 IonicContact OE2-CZ 2.77Å; E226-R236 IonicContact OE2-NE 3.27Å; E226-R236 PolarHBondContact OE2-NE 3.49Å; E226-R236 IonicContact OE2-NH2 3.86Å; E226-R236 PolarHBondContact OE2-NH2 3.44Å; E226-V237 PolarHBondContact O-N 2.81Å
227G73.1Confident76.3Confident2 Ų254.8 Ų54.82%0.02132%0.318CS..EExtended strand (participates in β ladder)trans153.7-138.2-175.500000113.7A223 T224 T235A223-G227 CarbonylContact C-O 3.57Å; A223-G227 VanDerWaalsContact CA-O 3.27Å; A223-G227 WeakPolarHBondContact CA-O 3.12Å; T224-G227 PolarHBondContact N-O 3.34Å; T224-G227 PolarHBondContact O-N 3.01Å; T224-G227 PolarHBondContact OG1-N 3.08Å; G227-T235 CarbonylContact C-O 3.59Å; G227-T235 VanDerWaalsContact CA-O 3.29Å; G227-T235 WeakPolarHBondContact CA-O 3.33Å
228I78.7Confident76.6Confident1 Ų153.9 Ų53.91%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-117.3135.3-179.7-72.6162.8000110.2L195 F211 L212 C215 V221 E222 A223 V234 T235L195-I228 HydrophobicContact CD1-CD1 4.46Å; L195-I228 HydrophobicContact CD1-CG2 3.97Å; L195-I228 HydrophobicContact CD2-CB 3.94Å; L195-I228 HydrophobicContact CD2-CD1 3.55Å; L195-I228 HydrophobicContact CD2-CG1 4.35Å; L195-I228 HydrophobicContact CD2-CG2 3.95Å; F211-I228 HydrophobicContact CD1-CD1 4.25Å; F211-I228 HydrophobicContact CE1-CD1 3.81Å; L212-I228 HydrophobicContact CD2-CD1 3.73Å; L212-I228 HydrophobicContact CD2-CG1 3.62Å; C215-I228 HydrophobicContact CB-CD1 3.38Å; C215-I228 HydrophobicContact CB-CG1 4.43Å; C215-I228 WeakPolarHBondContact SG-CD1 3.38Å; V221-I228 HydrophobicContact CB-CG2 3.94Å; V221-I228 HydrophobicContact CG2-CG2 3.54Å; E222-I228 CarbonylContact O-C 3.46Å; E222-I228 WeakPolarHBondContact O-CA 3.36Å; A223-I228 HydrophobicContact CB-CG1 4.1Å; I228-V234 WeakPolarHBondContact O-CA 3.23Å; I228-T235 PolarHBondContact N-O 3.44Å; I228-T235 PolarHBondContact O-N 3.31Å
229V76.3Confident76.6Confident42 Ų4255 Ų5526%0.25532%0.322SS..EExtended strand (participates in β ladder)trans-101.7115.6172.3-171.30000108.7E222 T224 K233 V234E222-V229 PolarHBondContact N-O 2.97Å; E222-V229 PolarHBondContact O-N 3.15Å; T224-V229 HydrophobicContact CG2-CG2 3.83Å; V229-K233 WeakPolarHBondContact CA-O 3.26Å; V229-V234 HydrophobicContact CG2-CG2 4.21Å
230D74.1Confident76.8Confident37 Ų3754.8 Ų54.820%0.19832%0.32CS..EExtended strand (participates in β ladder)trans-129.6120.8173.6-169.321.7000109.2R192 V221 G232 K233R192-D230 IonicContact NH1-OD2 3.61Å; V221-D230 HydrophobicContact CG1-CB 3.89Å; V221-D230 WeakPolarHBondContact CG1-OD1 3.05Å; D230-G232 PolarHBondContact O-N 2.8Å; D230-G232 VanDerWaalsContact O-N 3.15Å; D230-K233 PolarHBondContact N-O 3.01Å; D230-K233 WeakPolarHBondContact O-CB 3.33Å; D230-K233 PolarHBondContact O-N 3.48Å
231Q69.3Low77.3Confident173 Ų17354.6 Ų54.681%0.80831%0.311SS*.THydrogen-bonded Turntrans50.541.2178.6-57.5177.118.800114K233Q231-K233 PolarHBondContact O-N 3.01Å
232G65.8Low77.7Confident71 Ų7154.6 Ų54.673%0.73231%0.311SS*.THydrogen-bonded Turntrans78.7-4.6179.800000115.1D230D230-G232 PolarHBondContact O-N 2.8Å; D230-G232 VanDerWaalsContact O-N 3.15Å
233K74Confident78.5Confident142 Ų14250.4 Ų50.462%0.61729%0.292SS*.EExtended strand (participates in β ladder)trans-91.4138.1171.6-65.6-178.7-179.2175.70110V229 D230 Q231V229-K233 WeakPolarHBondContact CA-O 3.26Å; D230-K233 PolarHBondContact N-O 3.01Å; D230-K233 WeakPolarHBondContact O-CB 3.33Å; D230-K233 PolarHBondContact O-N 3.48Å; Q231-K233 PolarHBondContact O-N 3.01Å
234V80.3Confident79.3Confident73 Ų7350.1 Ų50.144%0.44229%0.29SS..EExtended strand (participates in β ladder)trans-105.7113.9175.8-173.90000108.6I228 V229I228-V234 WeakPolarHBondContact O-CA 3.23Å; V229-V234 HydrophobicContact CG2-CG2 4.21Å
235T87Confident80.3Confident7 Ų750.3 Ų50.34%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-95.7114.9169.3-680000108.7L195 A197 V200 G227 I228L195-T235 HydrophobicContact CD2-CG2 4.18Å; L195-T235 PolarHBondContact O-OG1 3.21Å; A197-T235 WeakPolarHBondContact O-CG2 3.45Å; A197-T235 PolarHBondContact O-OG1 2.84Å; V200-T235 HydrophobicContact CB-CG2 4.45Å; V200-T235 HydrophobicContact CG2-CG2 3.55Å; G227-T235 CarbonylContact C-O 3.59Å; G227-T235 VanDerWaalsContact CA-O 3.29Å; G227-T235 WeakPolarHBondContact CA-O 3.33Å; I228-T235 PolarHBondContact N-O 3.44Å; I228-T235 PolarHBondContact O-N 3.31Å
236R88.5Confident81.7Confident51 Ų5144.5 Ų44.519%0.19225%0.246CC..EExtended strand (participates in β ladder)trans-74.7139179.6-74.9178.9166-171.52.3110.7D198 L199 V200 E226 N471D198-R236 PolarHBondContact O-N 3.21Å; L199-R236 WeakPolarHBondContact CA-O 3.21Å; L199-R236 HydrophobicContact CD1-CB 4.09Å; V200-R236 PolarHBondContact N-O 3.31Å; E226-R236 VanDerWaalsContact O-CA 3.24Å; E226-R236 WeakPolarHBondContact O-CA 3.38Å; E226-R236 WeakPolarHBondContact O-CG 3.49Å; E226-R236 IonicContact OE1-NH2 3.97Å; E226-R236 IonicContact OE2-CZ 2.77Å; E226-R236 IonicContact OE2-NE 3.27Å; E226-R236 PolarHBondContact OE2-NE 3.49Å; E226-R236 IonicContact OE2-NH2 3.86Å; E226-R236 PolarHBondContact OE2-NH2 3.44Å; R236-N471 WeakPolarHBondContact CB-ND2 3.1Å; R236-N471 WeakPolarHBondContact CD-ND2 3.38Å; R236-N471 WeakPolarHBondContact CD-OD1 3.36Å; R236-N471 PolarHBondContact NH1-OD1 2.91Å
237V88.8Confident83.2Confident22 Ų2242.9 Ų42.913%0.13324%0.239CC..EExtended strand (participates in β ladder)trans-120.5124.9178.6-178.70000108.6V200 F202 A208 F211 L212 E226V200-V237 HydrophobicContact CB-CG2 4.3Å; V200-V237 WeakPolarHBondContact O-CA 3.32Å; F202-V237 HydrophobicContact CD2-CG1 4.04Å; F202-V237 HydrophobicContact CE2-CG1 3.82Å; A208-V237 HydrophobicContact CB-CG1 4.1Å; F211-V237 HydrophobicContact CD1-CG1 4.28Å; F211-V237 HydrophobicContact CD1-CG2 4.13Å; F211-V237 HydrophobicContact CE1-CG2 3.91Å; L212-V237 HydrophobicContact CD2-CB 4.08Å; L212-V237 HydrophobicContact CD2-CG1 4.31Å; L212-V237 HydrophobicContact CD2-CG2 3.82Å; E226-V237 PolarHBondContact O-N 2.81Å
238A87.4Confident84Confident21 Ų2146 Ų4617%0.17425%0.25CC..EExtended strand (participates in β ladder)trans-142.3167.5-176.400000113.2L199 V200 G201 F202 F240 L467L199-A238 HydrophobicContact CD1-CB 4.12Å; V200-A238 PolarHBondContact O-N 3.16Å; G201-A238 WeakPolarHBondContact CA-O 3.45Å; F202-A238 PolarHBondContact N-O 3.2Å; A238-F240 HydrophobicContact CB-CD2 4.4Å; A238-F240 HydrophobicContact CB-CE2 3.49Å; A238-F240 VanDerWaalsContact CB-CE2 3.49Å; A238-F240 HydrophobicContact CB-CZ 3.67Å; A238-L467 HydrophobicContact CB-CD2 3.74Å
239V88.5Confident84.6Confident55 Ų5546.6 Ų46.633%0.33325%0.252SS..EExtended strand (participates in β ladder)trans-113.6125.3-175.2-178.60000109.6F202 H203 A208F202-V239 CarbonylContact O-C 3.42Å; F202-V239 WeakPolarHBondContact O-CA 3.33Å; H203-V239 WeakPolarHBondContact O-CG1 3.28Å; A208-V239 HydrophobicContact CB-CG2 3.88Å
240F90.3Very high85.5Confident17 Ų1745.6 Ų45.68%0.07525%0.245CC..  trans-136.798.9176.6-46.6-93.3000109.8F170 L199 F202 H203 A238 I242 W460 D463 F464 L467F170-F240 HydrophobicContact CD2-CD2 4.45Å; F170-F240 HydrophobicContact CE2-CB 3.91Å; F170-F240 HydrophobicContact CE2-CD2 4.08Å; F170-F240 HydrophobicContact CE2-CG 4.45Å; F170-F240 WeakPolarHBondContact CZ-O 3.26Å; L199-F240 HydrophobicContact CD2-CE2 4.21Å; L199-F240 HydrophobicContact CD2-CZ 4.09Å; F202-F240 PolarHBondContact O-N 3.35Å; H203-F240 PolarHBondContact ND1-O 3.34Å; A238-F240 HydrophobicContact CB-CD2 4.4Å; A238-F240 HydrophobicContact CB-CE2 3.49Å; A238-F240 VanDerWaalsContact CB-CE2 3.49Å; A238-F240 HydrophobicContact CB-CZ 3.67Å; F240-I242 PolarHBondContact O-N 2.81Å; F240-W460 VanDerWaalsContact CB-CD1 3.49Å; F240-W460 PolarHBondContact O-NE1 2.97Å; F240-D463 HydrophobicContact CD1-CB 4.06Å; F240-D463 HydrophobicContact CE1-CB 4.21Å; F240-F464 HydrophobicContact CD1-CB 4.37Å; F240-F464 AromaticContact CD2-CD2 3.7Å; F240-F464 HydrophobicContact CD2-CD2 3.7Å; F240-F464 HydrophobicContact CD2-CE2 4.38Å; F240-F464 HydrophobicContact CE1-CB 4.37Å; F240-F464 AromaticContact CE2-CD2 3.57Å; F240-F464 HydrophobicContact CE2-CD2 3.57Å; F240-F464 HydrophobicContact CE2-CE2 4.1Å; F240-F464 HydrophobicContact CG-CD2 4.26Å; F240-F464 HydrophobicContact CZ-CD2 4.05Å; F240-L467 HydrophobicContact CE1-CD2 4.44Å; F240-L467 HydrophobicContact CZ-CB 4.28Å; F240-L467 HydrophobicContact CZ-CD2 3.7Å
241P88.1Confident86.4Confident37 Ų3748.2 Ų48.224%0.2426%0.259CS..  trans-68.7123174.927.9-32.1000109.4M381P241-M381 HydrophobicContact CB-CE 3.92Å
242I89.8Confident87.5Confident14 Ų1440.8 Ų40.87%0.07223%0.226CC..  trans-76.7133.8178.8-167.6168.6000110.4L34 H203 F240 M381 L383 T457 W460L34-I242 HydrophobicContact CD1-CD1 3.91Å; H203-I242 WeakPolarHBondContact CE1-CG2 3.41Å; F240-I242 PolarHBondContact O-N 2.81Å; I242-M381 HydrophobicContact CG2-CB 3.83Å; I242-M381 HydrophobicContact CG2-CG 3.73Å; I242-L383 HydrophobicContact CG2-CD2 4.12Å; I242-T457 HydrophobicContact CD1-CG2 4.12Å; I242-T457 HydrophobicContact CG1-CG2 3.93Å; I242-W460 HydrophobicContact CB-CD2 4.21Å; I242-W460 HydrophobicContact CB-CG 4.14Å; I242-W460 HydrophobicContact CD1-CD2 4.08Å; I242-W460 HydrophobicContact CD1-CE3 4.04Å; I242-W460 HydrophobicContact CD1-CH2 4.02Å; I242-W460 HydrophobicContact CD1-CZ2 4.05Å; I242-W460 HydrophobicContact CD1-CZ3 4.02Å; I242-W460 HydrophobicContact CG1-CD2 3.79Å; I242-W460 HydrophobicContact CG1-CE3 4.05Å; I242-W460 HydrophobicContact CG1-CG 4.05Å
243G88.1Confident88.7Confident5 Ų538 Ų385%0.05220%0.195CC..  trans-98.1-168.1174.900000113.9H455 T457G243-H455 VanDerWaalsContact CA-O 3.26Å; G243-H455 WeakPolarHBondContact CA-O 3.43Å; G243-T457 PolarHBondContact O-OG1 2.8Å
244I88.8Confident89.5Confident4 Ų436.1 Ų36.12%0.02119%0.189CC..  trans-110.6178.216662.5165.3000110.5P246 F249 L383 S386 E387 A390 V452 S456 T457I244-P246 WeakPolarHBondContact O-CD 3.43Å; I244-F249 HydrophobicContact CB-CE2 4.4Å; I244-F249 HydrophobicContact CD1-CD2 3.83Å; I244-F249 HydrophobicContact CD1-CE2 4.01Å; I244-L383 HydrophobicContact CG2-CB 4.02Å; I244-L383 HydrophobicContact CG2-CD2 3.97Å; I244-L383 HydrophobicContact CG2-CG 4.4Å; I244-S386 WeakPolarHBondContact CD1-O 3.19Å; I244-E387 HydrophobicContact CD1-CG 4.38Å; I244-E387 HydrophobicContact CG2-CG 4.12Å; I244-A390 HydrophobicContact CD1-CB 3.96Å; I244-V452 HydrophobicContact CD1-CG1 4.04Å; I244-V452 HydrophobicContact CG1-CG1 4.01Å; I244-S456 CarbonylContact O-C 3.55Å; I244-S456 VanDerWaalsContact O-CA 3.25Å; I244-S456 WeakPolarHBondContact O-CA 3.37Å; I244-S456 WeakPolarHBondContact O-CB 3.16Å; I244-T457 WeakPolarHBondContact CA-OG1 3.48Å; I244-T457 PolarHBondContact N-OG1 3.49Å; I244-T457 PolarHBondContact O-N 3.02Å; I244-T457 PolarHBondContact O-OG1 3.28Å
245E89.2Confident90.2Very high57 Ų5736.6 Ų36.627%0.26619%0.188SC..  trans-93.291.6163.6-178.149.5-115.800109E247 R248 F249E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 2.87Å; E245-R248 HydrophobicContact CB-CB 4.32Å; E245-R248 HydrophobicContact CG-CB 3.97Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 2.87Å; E245-F249 WeakPolarHBondContact O-CD2 3.5Å
246P90Very high90.7Very high4 Ų440.6 Ų40.63%0.02622%0.217CC..Hα-helixtrans-64.9-36.7-168.826.3-35.7000112.8I244 R248 F249 I250 A390 V452I244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-R248 PolarHBondContact O-N 3.14Å; P246-F249 PolarHBondContact O-N 3.22Å; P246-F249 VanDerWaalsContact O-N 3.08Å; P246-I250 HydrophobicContact CB-CD1 4.39Å; P246-I250 VanDerWaalsContact O-CG1 3.32Å; P246-I250 WeakPolarHBondContact O-CG1 3.22Å; P246-I250 PolarHBondContact O-N 3.47Å; P246-A390 HydrophobicContact CB-CB 4.48Å; P246-V452 HydrophobicContact CB-CG1 4.14Å
247E91.4Very high91Very high66 Ų6642.2 Ų42.231%0.30823%0.226SC..Hα-helixtrans-64.4-30-177.6-64.8-62157.600111.4E245 F249 I250 N251 K453E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 2.87Å; E247-F249 PolarHBondContact O-N 3.02Å; E247-I250 PolarHBondContact O-N 2.9Å; E247-N251 WeakPolarHBondContact O-CB 3.11Å; E247-N251 PolarHBondContact O-N 2.65Å; E247-N251 PolarHBondContact O-ND2 2.78Å; E247-K453 WeakPolarHBondContact OE1-CE 3.13Å; E247-K453 IonicContact OE1-NZ 2.72Å; E247-K453 PolarHBondContact OE1-NZ 2.99Å
248R89.7Confident91.3Very high68 Ų6841.1 Ų41.126%0.25722%0.22SC..Hα-helixtrans-59.5-46.5173-178.6-178.2169.2-177.1-5.1111.5E245 P246 T252 F359E245-R248 HydrophobicContact CB-CB 4.32Å; E245-R248 HydrophobicContact CG-CB 3.97Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 2.87Å; P246-R248 PolarHBondContact O-N 3.14Å; R248-T252 VanDerWaalsContact O-CB 3.29Å; R248-T252 WeakPolarHBondContact O-CB 3.28Å; R248-T252 PolarHBondContact O-N 3.15Å; R248-T252 VanDerWaalsContact O-N 3.08Å; R248-T252 PolarHBondContact O-OG1 2.81Å; R248-F359 HydrophobicContact CG-CE1 4.31Å; R248-F359 HydrophobicContact CG-CZ 4.02Å
249F92Very high91.7Very high12 Ų1242.7 Ų42.75%0.05323%0.227CC..Hα-helixtrans-71.8-41.8-179.8-70.8-90.4000111.8I244 E245 P246 E247 T252 S253 F359 E387 A390I244-F249 HydrophobicContact CB-CE2 4.4Å; I244-F249 HydrophobicContact CD1-CD2 3.83Å; I244-F249 HydrophobicContact CD1-CE2 4.01Å; E245-F249 WeakPolarHBondContact O-CD2 3.5Å; P246-F249 PolarHBondContact O-N 3.22Å; P246-F249 VanDerWaalsContact O-N 3.08Å; E247-F249 PolarHBondContact O-N 3.02Å; F249-T252 PolarHBondContact O-N 2.78Å; F249-S253 WeakPolarHBondContact O-CB 2.84Å; F249-S253 PolarHBondContact O-N 2.96Å; F249-F359 HydrophobicContact CD1-CE2 4.18Å; F249-F359 HydrophobicContact CD1-CZ 4.1Å; F249-F359 AromaticContact CE1-CE2 3.57Å; F249-F359 HydrophobicContact CE1-CE2 3.57Å; F249-F359 AromaticContact CE1-CZ 3.93Å; F249-F359 HydrophobicContact CE1-CZ 3.93Å; F249-F359 AromaticContact CZ-CE2 3.84Å; F249-F359 HydrophobicContact CZ-CE2 3.84Å; F249-F359 HydrophobicContact CZ-CZ 4.24Å; F249-E387 HydrophobicContact CD1-CB 4.22Å; F249-E387 HydrophobicContact CE1-CB 3.77Å; F249-E387 HydrophobicContact CE1-CG 3.7Å; F249-E387 HydrophobicContact CE2-CG 4.02Å; F249-E387 HydrophobicContact CZ-CB 4.01Å; F249-E387 HydrophobicContact CZ-CG 3.42Å; F249-E387 VanDerWaalsContact CZ-CG 3.42Å; F249-A390 HydrophobicContact CB-CB 3.8Å; F249-A390 HydrophobicContact CG-CB 4.47Å
250I93.5Very high92.1Very high22 Ų2246.4 Ų46.411%0.11324%0.241CC..Hα-helixtrans-59.8-52.9177.4-65.4163.3000109.9P246 E247 T252 S253 A390 F449P246-I250 HydrophobicContact CB-CD1 4.39Å; P246-I250 VanDerWaalsContact O-CG1 3.32Å; P246-I250 WeakPolarHBondContact O-CG1 3.22Å; P246-I250 PolarHBondContact O-N 3.47Å; E247-I250 PolarHBondContact O-N 2.9Å; I250-T252 PolarHBondContact O-N 3.09Å; I250-S253 PolarHBondContact O-N 2.78Å; I250-S253 PolarHBondContact O-OG 3.14Å; I250-A390 WeakPolarHBondContact CG1-O 3.25Å; I250-F449 HydrophobicContact CD1-CE2 3.99Å; I250-F449 HydrophobicContact CD1-CZ 3.79Å; I250-F449 HydrophobicContact CG1-CE2 4.41Å
251N93.7Very high92.5Very high91 Ų9148.2 Ų48.249%0.48725%0.248SC..Hα-helixtrans-65.1-40.2-178.4-67.1-33.6000112E247 S253 E254E247-N251 WeakPolarHBondContact O-CB 3.11Å; E247-N251 PolarHBondContact O-N 2.65Å; E247-N251 PolarHBondContact O-ND2 2.78Å; N251-S253 VanDerWaalsContact C-N 3.3Å; N251-S253 PolarHBondContact O-N 3.01Å; N251-E254 PolarHBondContact O-N 3.03Å
252T92.5Very high92.8Very high17 Ų1748.1 Ų48.110%0.10424%0.244CC..Hα-helixtrans-62.7-37.7175.7-67.30000111.7R248 F249 I250 E254 L255 V258 F359 N360 C363R248-T252 VanDerWaalsContact O-CB 3.29Å; R248-T252 WeakPolarHBondContact O-CB 3.28Å; R248-T252 PolarHBondContact O-N 3.15Å; R248-T252 VanDerWaalsContact O-N 3.08Å; R248-T252 PolarHBondContact O-OG1 2.81Å; F249-T252 PolarHBondContact O-N 2.78Å; I250-T252 PolarHBondContact O-N 3.09Å; T252-E254 PolarHBondContact O-N 2.86Å; T252-E254 VanDerWaalsContact O-N 3.14Å; T252-L255 HydrophobicContact CG2-CD1 4.27Å; T252-L255 WeakPolarHBondContact O-CB 3.09Å; T252-L255 PolarHBondContact O-N 2.58Å; T252-L255 VanDerWaalsContact O-N 3.12Å; T252-V258 HydrophobicContact CG2-CG2 3.93Å; T252-V258 WeakPolarHBondContact O-CB 3.23Å; T252-V258 VanDerWaalsContact O-CG2 3.25Å; T252-V258 WeakPolarHBondContact O-CG2 3.05Å; T252-F359 HydrophobicContact CG2-CD1 4.12Å; T252-F359 HydrophobicContact CG2-CE1 3.81Å; T252-N360 WeakPolarHBondContact CG2-OD1 3.32Å; T252-C363 HydrophobicContact CG2-CB 3.89Å
253S90.3Very high93.1Very high13 Ų1354 Ų549%0.09127%0.269CS..Hα-helixtrans-62.1-19.9177.577.60000114.1F249 I250 N251F249-S253 WeakPolarHBondContact O-CB 2.84Å; F249-S253 PolarHBondContact O-N 2.96Å; I250-S253 PolarHBondContact O-N 2.78Å; I250-S253 PolarHBondContact O-OG 3.14Å; N251-S253 VanDerWaalsContact C-N 3.3Å; N251-S253 PolarHBondContact O-N 3.01Å
254E91.5Very high93.5Very high103 Ų10359 Ų5948%0.48129%0.29SS..THydrogen-bonded Turntrans-94-7.4179.7-61.7-174.1166.700113.4N251 T252 K393N251-E254 PolarHBondContact O-N 3.03Å; T252-E254 PolarHBondContact O-N 2.86Å; T252-E254 VanDerWaalsContact O-N 3.14Å; E254-K393 IonicContact OE1-NZ 2.78Å; E254-K393 PolarHBondContact OE1-NZ 3.24Å
255L95.7Very high93.8Very high82 Ų8260.1 Ų60.143%0.42929%0.294SS..SBendtrans-64.5141.1177.8-66.1176.7000111.4T252 E257 V258 V259T252-L255 HydrophobicContact CG2-CD1 4.27Å; T252-L255 WeakPolarHBondContact O-CB 3.09Å; T252-L255 PolarHBondContact O-N 2.58Å; T252-L255 VanDerWaalsContact O-N 3.12Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.17Å; L255-V258 HydrophobicContact CB-CB 4.33Å; L255-V258 HydrophobicContact CB-CG2 4.09Å; L255-V258 PolarHBondContact O-N 3.12Å; L255-V259 WeakPolarHBondContact O-CG2 3.34Å; L255-V259 PolarHBondContact O-N 3.27Å
256S96.1Very high94Very high92 Ų9261.8 Ų61.864%0.64330%0.301SS*.Hα-helixtrans-58.1-39.4-178.357.40000113.1V259 Q260S256-V259 PolarHBondContact O-N 3.08Å; S256-Q260 WeakPolarHBondContact O-CG 3.41Å; S256-Q260 PolarHBondContact O-N 3.39Å
257E96.2Very high94.3Very high84 Ų8467.8 Ų67.839%0.39333%0.333SS..Hα-helixtrans-61-44.4174.4-176.9-177-157.500111.7L255 Q260 Y261 N360L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.17Å; E257-Q260 WeakPolarHBondContact O-CB 2.99Å; E257-Q260 PolarHBondContact O-N 2.86Å; E257-Y261 HydrophobicContact CG-CD2 4.06Å; E257-Y261 HydrophobicContact CG-CE2 3.65Å; E257-Y261 WeakPolarHBondContact O-CD2 3.42Å; E257-Y261 PolarHBondContact O-N 3.48Å; E257-N360 PolarHBondContact OE2-ND2 3.39Å
258V95.3Very high94.3Very high0 Ų069.3 Ų69.30%034%0.343CS..Hα-helixtrans-66.9-41.8179.2178.40000110.6T252 L255 Q260 Y261 M262 N360 C363 A364T252-V258 HydrophobicContact CG2-CG2 3.93Å; T252-V258 WeakPolarHBondContact O-CB 3.23Å; T252-V258 VanDerWaalsContact O-CG2 3.25Å; T252-V258 WeakPolarHBondContact O-CG2 3.05Å; L255-V258 HydrophobicContact CB-CB 4.33Å; L255-V258 HydrophobicContact CB-CG2 4.09Å; L255-V258 PolarHBondContact O-N 3.12Å; V258-Q260 VanDerWaalsContact C-N 3.27Å; V258-Q260 PolarHBondContact O-N 2.72Å; V258-Y261 WeakPolarHBondContact O-CB 3.46Å; V258-Y261 PolarHBondContact O-N 2.74Å; V258-Y261 VanDerWaalsContact O-N 3.12Å; V258-M262 HydrophobicContact CG1-SD 4.47Å; V258-M262 VanDerWaalsContact O-CG 3.28Å; V258-M262 WeakPolarHBondContact O-CG 3.07Å; V258-M262 PolarHBondContact O-N 3.31Å; V258-N360 HydrophobicContact CG2-CB 3.73Å; V258-C363 HydrophobicContact CG1-CB 4.4Å; V258-A364 HydrophobicContact CG1-CB 3.9Å
259V95.7Very high94.5Very high53 Ų5367.2 Ų67.232%0.32134%0.335SS..Hα-helixtrans-61-35.5173.2174.70000111.8L255 S256 M262 K263L255-V259 WeakPolarHBondContact O-CG2 3.34Å; L255-V259 PolarHBondContact O-N 3.27Å; S256-V259 PolarHBondContact O-N 3.08Å; V259-M262 PolarHBondContact O-N 3.31Å; V259-K263 WeakPolarHBondContact O-CG 3.04Å; V259-K263 PolarHBondContact O-N 3.24Å; V259-K263 VanDerWaalsContact O-N 3.1Å
260Q97Very high94.4Very high134 Ų13469.6 Ų69.663%0.62636%0.364SS*.Hα-helixtrans-66.5-43.9173-72.517613.700111.6S256 E257 V258 M262 K263 K264S256-Q260 WeakPolarHBondContact O-CG 3.41Å; S256-Q260 PolarHBondContact O-N 3.39Å; E257-Q260 WeakPolarHBondContact O-CB 2.99Å; E257-Q260 PolarHBondContact O-N 2.86Å; V258-Q260 VanDerWaalsContact C-N 3.27Å; V258-Q260 PolarHBondContact O-N 2.72Å; Q260-M262 PolarHBondContact O-N 2.79Å; Q260-K263 PolarHBondContact O-N 3.17Å; Q260-K264 WeakPolarHBondContact O-CB 3.42Å; Q260-K264 PolarHBondContact O-N 3.06Å
261Y96.8Very high94.1Very high55 Ų5572.2 Ų72.222%0.21640%0.396CS..Hα-helixtrans-60.7-42.7173.4-75-51.4000112.2E257 V258 K263 K264 F265 Q361E257-Y261 HydrophobicContact CG-CD2 4.06Å; E257-Y261 HydrophobicContact CG-CE2 3.65Å; E257-Y261 WeakPolarHBondContact O-CD2 3.42Å; E257-Y261 PolarHBondContact O-N 3.48Å; V258-Y261 WeakPolarHBondContact O-CB 3.46Å; V258-Y261 PolarHBondContact O-N 2.74Å; V258-Y261 VanDerWaalsContact O-N 3.12Å; Y261-K263 VanDerWaalsContact C-N 3.34Å; Y261-K263 PolarHBondContact O-N 3.25Å; Y261-K264 PolarHBondContact O-N 3.33Å; Y261-F265 HydrophobicContact CD1-CZ 4.28Å; Y261-F265 WeakPolarHBondContact O-CB 3.19Å; Y261-F265 VanDerWaalsContact O-CD2 3.31Å; Y261-F265 WeakPolarHBondContact O-CD2 3.38Å; Y261-F265 WeakPolarHBondContact O-CG 3.45Å; Y261-F265 PolarHBondContact O-N 3.2Å; Y261-Q361 HydrophobicContact CD1-CG 4.24Å; Y261-Q361 HydrophobicContact CD2-CG 4.02Å; Y261-Q361 HydrophobicContact CE1-CG 4.05Å; Y261-Q361 HydrophobicContact CE2-CG 3.77Å; Y261-Q361 HydrophobicContact CG-CG 4.25Å; Y261-Q361 PolarHBondContact OH-NE2 3.36Å
262M96Very high94.2Very high34 Ų3470.3 Ų70.317%0.16738%0.382CS..Hα-helixtrans-57.7-46.2176.1-68.3171.77100111.6V258 V259 Q260 K266 A364 A367 I368V258-M262 HydrophobicContact CG1-SD 4.47Å; V258-M262 VanDerWaalsContact O-CG 3.28Å; V258-M262 WeakPolarHBondContact O-CG 3.07Å; V258-M262 PolarHBondContact O-N 3.31Å; V259-M262 PolarHBondContact O-N 3.31Å; Q260-M262 PolarHBondContact O-N 2.79Å; M262-K266 WeakPolarHBondContact O-CB 3.44Å; M262-K266 WeakPolarHBondContact O-CG 3.25Å; M262-K266 PolarHBondContact O-N 3.07Å; M262-A364 HydrophobicContact CG-CB 3.8Å; M262-A367 HydrophobicContact CE-CB 3.62Å; M262-A367 HydrophobicContact CG-CB 4.46Å; M262-A367 HydrophobicContact SD-CB 4Å; M262-I368 HydrophobicContact CB-CG2 3.76Å; M262-I368 HydrophobicContact CE-CG2 3.89Å; M262-I368 HydrophobicContact CG-CG2 3.85Å
263K95.6Very high94.4Very high139 Ų13972.9 Ų72.960%0.60439%0.392SS*.Hα-helixtrans-63.3-44.9176.3-72.7177.1-178.3179.60111.7V259 Q260 Y261 K266 N267V259-K263 WeakPolarHBondContact O-CG 3.04Å; V259-K263 PolarHBondContact O-N 3.24Å; V259-K263 VanDerWaalsContact O-N 3.1Å; Q260-K263 PolarHBondContact O-N 3.17Å; Y261-K263 VanDerWaalsContact C-N 3.34Å; Y261-K263 PolarHBondContact O-N 3.25Å; K263-K266 PolarHBondContact O-N 3.5Å; K263-N267 VanDerWaalsContact O-CG 3.28Å; K263-N267 PolarHBondContact O-N 2.66Å; K263-N267 VanDerWaalsContact O-N 3.09Å; K263-N267 PolarHBondContact O-ND2 2.52Å
264K96.5Very high94.7Very high110 Ų11072.4 Ų72.448%0.47839%0.388SS..Hα-helixtrans-58.5-53.3177.7-178.3-175.4174.4-173.90110.8Q260 Y261 K266 N267 D268Q260-K264 WeakPolarHBondContact O-CB 3.42Å; Q260-K264 PolarHBondContact O-N 3.06Å; Y261-K264 PolarHBondContact O-N 3.33Å; K264-K266 PolarHBondContact O-N 2.55Å; K264-N267 WeakPolarHBondContact O-CB 3.38Å; K264-N267 PolarHBondContact O-N 2.94Å; K264-N267 VanDerWaalsContact O-N 3.12Å; K264-D268 WeakPolarHBondContact CE-OD2 3.49Å; K264-D268 VanDerWaalsContact O-CG 3.26Å; K264-D268 PolarHBondContact O-N 2.76Å
265F95.6Very high95.1Very high26 Ų2667.5 Ų67.511%0.11437%0.365CS..Hα-helixtrans-63-40.5-179.1-63.4-28000112.5Y261 N267 D268 F269 Q361 A364 L365 I368Y261-F265 HydrophobicContact CD1-CZ 4.28Å; Y261-F265 WeakPolarHBondContact O-CB 3.19Å; Y261-F265 VanDerWaalsContact O-CD2 3.31Å; Y261-F265 WeakPolarHBondContact O-CD2 3.38Å; Y261-F265 WeakPolarHBondContact O-CG 3.45Å; Y261-F265 PolarHBondContact O-N 3.2Å; F265-N267 VanDerWaalsContact C-N 3.28Å; F265-N267 PolarHBondContact O-N 3Å; F265-D268 PolarHBondContact O-N 3.3Å; F265-F269 HydrophobicContact CB-CD2 4.29Å; F265-F269 HydrophobicContact CB-CE2 3.84Å; F265-F269 HydrophobicContact CB-CZ 4.36Å; F265-F269 WeakPolarHBondContact O-CB 3.38Å; F265-F269 WeakPolarHBondContact O-CD2 3.29Å; F265-F269 WeakPolarHBondContact O-CG 3.46Å; F265-F269 PolarHBondContact O-N 3.24Å; F265-Q361 HydrophobicContact CZ-CB 4.28Å; F265-Q361 HydrophobicContact CZ-CG 4.38Å; F265-A364 HydrophobicContact CD2-CB 4.06Å; F265-A364 HydrophobicContact CE2-CB 3.85Å; F265-L365 HydrophobicContact CD2-CD2 3.66Å; F265-L365 HydrophobicContact CD2-CG 4.03Å; F265-L365 HydrophobicContact CE2-CD2 3.85Å; F265-L365 HydrophobicContact CE2-CG 3.78Å; F265-L365 HydrophobicContact CG-CD2 4.16Å; F265-I368 HydrophobicContact CB-CD1 3.38Å; F265-I368 HydrophobicContact CD2-CD1 4.33Å; F265-I368 HydrophobicContact CG-CD1 4.35Å
266K93.9Very high95.2Very high93 Ų9363.6 Ų63.640%0.40435%0.345SS..Hα-helixtrans-58.4-39.7173.3-78.3-175.3175.5-167.90112.4M262 K263 K264 G270 I368 E395M262-K266 WeakPolarHBondContact O-CB 3.44Å; M262-K266 WeakPolarHBondContact O-CG 3.25Å; M262-K266 PolarHBondContact O-N 3.07Å; K263-K266 PolarHBondContact O-N 3.5Å; K264-K266 PolarHBondContact O-N 2.55Å; K266-G270 PolarHBondContact O-N 3.15Å; K266-I368 HydrophobicContact CD-CG2 4.32Å; K266-I368 HydrophobicContact CG-CB 4.32Å; K266-I368 HydrophobicContact CG-CD1 4.34Å; K266-I368 HydrophobicContact CG-CG2 4.11Å; K266-E395 IonicContact NZ-OE1 2.81Å; K266-E395 PolarHBondContact NZ-OE1 3.08Å
267N94.7Very high95.3Very high130 Ų13059.2 Ų59.270%0.69531%0.314SS*.Hα-helixtrans-68.8-48.4175.2-68.3-14.8000111.5K263 K264 F265 F269 G270K263-N267 VanDerWaalsContact O-CG 3.28Å; K263-N267 PolarHBondContact O-N 2.66Å; K263-N267 VanDerWaalsContact O-N 3.09Å; K263-N267 PolarHBondContact O-ND2 2.52Å; K264-N267 WeakPolarHBondContact O-CB 3.38Å; K264-N267 PolarHBondContact O-N 2.94Å; K264-N267 VanDerWaalsContact O-N 3.12Å; F265-N267 VanDerWaalsContact C-N 3.28Å; F265-N267 PolarHBondContact O-N 3Å; N267-F269 PolarHBondContact O-N 3.48Å; N267-G270 PolarHBondContact O-N 2.88Å
268D92.9Very high95.3Very high98 Ų9855.9 Ų55.952%0.52430%0.3SS..Hα-helixtrans-60.9-33.8-178.7-67.5-12.4000111.9K264 F265 G270K264-D268 WeakPolarHBondContact CE-OD2 3.49Å; K264-D268 VanDerWaalsContact O-CG 3.26Å; K264-D268 PolarHBondContact O-N 2.76Å; F265-D268 PolarHBondContact O-N 3.3Å; D268-G270 VanDerWaalsContact C-N 3.34Å
269F93.5Very high95.3Very high23 Ų2356.2 Ų56.210%0.10130%0.302CS..THydrogen-bonded Turntrans-83-7.7178.3-58.2-31.3000114.1F265 N267 G271 R272 L274 M309 L311 L365 I368F265-F269 HydrophobicContact CB-CD2 4.29Å; F265-F269 HydrophobicContact CB-CE2 3.84Å; F265-F269 HydrophobicContact CB-CZ 4.36Å; F265-F269 WeakPolarHBondContact O-CB 3.38Å; F265-F269 WeakPolarHBondContact O-CD2 3.29Å; F265-F269 WeakPolarHBondContact O-CG 3.46Å; F265-F269 PolarHBondContact O-N 3.24Å; N267-F269 PolarHBondContact O-N 3.48Å; F269-G271 VanDerWaalsContact C-N 3.34Å; F269-G271 PolarHBondContact O-N 3.46Å; F269-R272 WeakPolarHBondContact O-CB 3.2Å; F269-R272 WeakPolarHBondContact O-CG 3.45Å; F269-R272 PolarHBondContact O-N 2.84Å; F269-R272 PolarHBondContact O-NE 2.82Å; F269-L274 HydrophobicContact CD2-CD2 4.11Å; F269-L274 HydrophobicContact CE2-CD1 4.34Å; F269-L274 HydrophobicContact CE2-CD2 3.76Å; F269-M309 HydrophobicContact CB-SD 3.88Å; F269-M309 HydrophobicContact CD1-CE 3.62Å; F269-M309 HydrophobicContact CD1-SD 3.64Å; F269-M309 HydrophobicContact CE1-CE 3.77Å; F269-M309 HydrophobicContact CE1-SD 4.37Å; F269-M309 HydrophobicContact CG-CE 4.29Å; F269-M309 HydrophobicContact CG-SD 3.8Å; F269-L311 HydrophobicContact CZ-CD2 4.22Å; F269-L365 HydrophobicContact CE2-CD2 4.11Å; F269-L365 HydrophobicContact CZ-CD2 4.14Å; F269-I368 HydrophobicContact CD2-CD1 4.11Å; F269-I368 HydrophobicContact CE2-CD1 3.93Å
270G89Confident95Very high63 Ų6358.2 Ų58.265%0.64930%0.303SS*.THydrogen-bonded Turntrans64.233.2169.600000114.4K266 N267 D268 R272K266-G270 PolarHBondContact O-N 3.15Å; N267-G270 PolarHBondContact O-N 2.88Å; D268-G270 VanDerWaalsContact C-N 3.34Å; G270-R272 PolarHBondContact O-N 3.31Å
271G88.1Confident94.7Very high77 Ų7752.1 Ų52.179%0.79428%0.275SS*.THydrogen-bonded Turntrans73.77.6179.400000115.5F269F269-G271 VanDerWaalsContact C-N 3.34Å; F269-G271 PolarHBondContact O-N 3.46Å
272R94.8Very high94.4Very high51 Ų5149.5 Ų49.519%0.19227%0.265CS..PPolyproline II helixtrans-69.3149.6172.5-66.3178.7-71.5167.3-3.3110.9F269 G270 G306 K307 M309 V348F269-R272 WeakPolarHBondContact O-CB 3.2Å; F269-R272 WeakPolarHBondContact O-CG 3.45Å; F269-R272 PolarHBondContact O-N 2.84Å; F269-R272 PolarHBondContact O-NE 2.82Å; G270-R272 PolarHBondContact O-N 3.31Å; R272-G306 WeakPolarHBondContact CD-O 3.46Å; R272-G306 WeakPolarHBondContact CG-O 3.18Å; R272-K307 CarbonylContact C-O 3.6Å; R272-K307 VanDerWaalsContact CA-O 3.25Å; R272-K307 WeakPolarHBondContact CA-O 3.02Å; R272-K307 WeakPolarHBondContact CB-O 3.48Å; R272-M309 HydrophobicContact CB-CG 4.41Å; R272-M309 VanDerWaalsContact CZ-SD 3.58Å; R272-V348 PolarHBondContact NH1-O 2.75Å
273K96.7Very high94.1Very high70 Ų7049.3 Ų49.330%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-67.2131.5169.9-69.7-62-173.2-173.20110.7W304 K307 V308 M309 D370 L434K273-W304 HydrophobicContact CB-CZ3 4.26Å; K273-W304 HydrophobicContact CG-CH2 4.19Å; K273-W304 HydrophobicContact CG-CZ3 3.69Å; K273-K307 PolarHBondContact N-O 2.67Å; K273-V308 HydrophobicContact CB-CB 4.39Å; K273-V308 HydrophobicContact CB-CG2 4.13Å; K273-V308 CarbonylContact O-C 3.55Å; K273-V308 WeakPolarHBondContact O-CA 3.34Å; K273-V308 WeakPolarHBondContact O-CG2 3.47Å; K273-M309 PolarHBondContact O-N 3.29Å; K273-D370 VanDerWaalsContact CA-OD2 3.29Å; K273-D370 WeakPolarHBondContact CA-OD2 3.31Å; K273-D370 HydrophobicContact CD-CB 4.12Å; K273-D370 WeakPolarHBondContact CD-OD1 3.13Å; K273-D370 VanDerWaalsContact CD-OD2 3.3Å; K273-D370 WeakPolarHBondContact CD-OD2 3.26Å; K273-D370 WeakPolarHBondContact CE-OD1 3.39Å; K273-D370 IonicContact NZ-OD1 2.8Å; K273-D370 PolarHBondContact NZ-OD1 2.82Å; K273-L434 HydrophobicContact CB-CD2 3.83Å; K273-L434 HydrophobicContact CG-CD2 4.21Å
274L97.9Very high94Very high3 Ų342.8 Ų42.82%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-103.3117.9-177.2-179.163000110.8F269 M309 L311 I368 D370 V371F269-L274 HydrophobicContact CD2-CD2 4.11Å; F269-L274 HydrophobicContact CE2-CD1 4.34Å; F269-L274 HydrophobicContact CE2-CD2 3.76Å; L274-M309 HydrophobicContact CD1-CE 4.26Å; L274-M309 HydrophobicContact CD1-CG 4.01Å; L274-M309 HydrophobicContact CD1-SD 4.41Å; L274-L311 HydrophobicContact CD1-CB 3.79Å; L274-I368 HydrophobicContact CD2-CD1 4.33Å; L274-I368 HydrophobicContact CD2-CG1 4.15Å; L274-D370 PolarHBondContact N-OD2 3.46Å; L274-D370 PolarHBondContact O-N 2.64Å; L274-V371 PolarHBondContact O-N 3.42Å; L274-V371 VanDerWaalsContact O-N 3.12Å
275I98.6Very high93.9Very high0 Ų038.3 Ų38.30%022%0.218CC..EExtended strand (participates in β ladder)trans-96.4129.4162.8-51.1-179.9000107.6F294 V308 M309 L310 L311 V371 L373 I430I275-F294 HydrophobicContact CD1-CD2 3.99Å; I275-F294 HydrophobicContact CD1-CE2 3.84Å; I275-V308 HydrophobicContact CD1-CG2 3.82Å; I275-V308 HydrophobicContact CG1-CG2 3.86Å; I275-M309 PolarHBondContact N-O 2.77Å; I275-L310 HydrophobicContact CB-CD1 3.9Å; I275-L310 HydrophobicContact CG2-CD1 3.61Å; I275-L310 CarbonylContact O-C 3.6Å; I275-L310 WeakPolarHBondContact O-CA 3.12Å; I275-L311 PolarHBondContact O-N 3Å; I275-V371 CarbonylContact C-O 3.53Å; I275-V371 VanDerWaalsContact CA-O 3.26Å; I275-V371 WeakPolarHBondContact CA-O 3.42Å; I275-V371 HydrophobicContact CG1-CB 4.22Å; I275-V371 HydrophobicContact CG2-CB 4.37Å; I275-V371 HydrophobicContact CG2-CG1 4.43Å; I275-L373 HydrophobicContact CG2-CB 3.76Å; I275-L373 HydrophobicContact CG2-CD2 4.16Å; I275-I430 HydrophobicContact CD1-CG2 3.64Å
276L98.5Very high94Very high0 Ų037.1 Ų37.10%021%0.213CC..EExtended strand (participates in β ladder)trans-114.3135.3180-17667.8000110.9V278 L311 I313 L365 Y366 T369 V371 L372 L373L276-V278 HydrophobicContact CD1-CG2 4.01Å; L276-V278 HydrophobicContact CD2-CG2 3.8Å; L276-V278 HydrophobicContact CG-CG2 3.74Å; L276-L311 WeakPolarHBondContact CA-O 3.08Å; L276-L311 HydrophobicContact CD1-CB 4.15Å; L276-L311 HydrophobicContact CD1-CD2 3.96Å; L276-L311 HydrophobicContact CD1-CG 3.98Å; L276-I313 HydrophobicContact CD1-CD1 4.34Å; L276-L365 HydrophobicContact CD2-CB 4.46Å; L276-Y366 HydrophobicContact CD2-CD1 3.55Å; L276-Y366 HydrophobicContact CD2-CE1 3.83Å; L276-T369 HydrophobicContact CB-CG2 3.49Å; L276-T369 VanDerWaalsContact CB-CG2 3.49Å; L276-T369 HydrophobicContact CD2-CG2 4.45Å; L276-T369 WeakPolarHBondContact CD2-OG1 3.21Å; L276-V371 PolarHBondContact N-O 2.96Å; L276-L372 HydrophobicContact CB-CD1 4.16Å; L276-L372 HydrophobicContact CD2-CD1 4.12Å; L276-L372 HydrophobicContact CG-CD1 4.2Å; L276-L373 PolarHBondContact O-N 2.9Å
277G98.1Very high94.1Very high0 Ų032.7 Ų32.70%019%0.193CC..EExtended strand (participates in β ladder)trans-121.5130.4162.500000109.9L311 Q312 I313G277-L311 PolarHBondContact N-O 3.34Å; G277-Q312 VanDerWaalsContact C-NE2 3.33Å; G277-Q312 WeakPolarHBondContact O-CA 3.16Å; G277-Q312 PolarHBondContact O-NE2 3.37Å; G277-I313 PolarHBondContact O-N 3.5Å
278V96.8Very high94.2Very high14 Ų1426.8 Ų26.89%0.08516%0.162CC..EExtended strand (participates in β ladder)trans-130108.8176-172.90000107.4L276 I313 L362 Y366 V384L276-V278 HydrophobicContact CD1-CG2 4.01Å; L276-V278 HydrophobicContact CD2-CG2 3.8Å; L276-V278 HydrophobicContact CG-CG2 3.74Å; V278-I313 HydrophobicContact CG1-CB 4.4Å; V278-I313 HydrophobicContact CG1-CG2 4.49Å; V278-I313 HydrophobicContact CG2-CD1 4.18Å; V278-L362 HydrophobicContact CG1-CD1 4.22Å; V278-L362 HydrophobicContact CG2-CD1 4.06Å; V278-Y366 HydrophobicContact CG2-CE1 3.9Å; V278-V384 HydrophobicContact CB-CG1 3.97Å; V278-V384 HydrophobicContact CB-CG2 4.42Å; V278-V384 HydrophobicContact CG1-CG2 4.48Å
279D94.1Very high94.5Very high8 Ų824 Ų244%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-146.3152-171.8-59.9-82.2000110K285 I287 K290 Q312 I313 A314 V315D279-K285 HydrophobicContact CB-CB 4Å; D279-K285 HydrophobicContact CB-CG 4.09Å; D279-I287 HydrophobicContact CB-CD1 3.98Å; D279-I287 HydrophobicContact CB-CG1 4.27Å; D279-K290 IonicContact OD2-NZ 3.3Å; D279-K290 PolarHBondContact OD2-NZ 3.13Å; D279-Q312 PolarHBondContact OD2-NE2 2.91Å; D279-I313 PolarHBondContact N-O 3.04Å; D279-A314 CarbonylContact O-C 3.58Å; D279-A314 WeakPolarHBondContact O-CA 3.45Å; D279-V315 PolarHBondContact O-N 3.47Å
280R90.4Very high94.7Very high94 Ų9422.9 Ų22.936%0.35514%0.141SC..EExtended strand (participates in β ladder)trans-67.1144.5157.4-68.9-175.1-68.3161.8-2.2108.2D282 K285 V315 T317R280-D282 PolarHBondContact O-N 3.12Å; R280-K285 WeakPolarHBondContact O-CG 3.31Å; R280-V315 WeakPolarHBondContact CA-O 3.44Å; R280-V315 HydrophobicContact CG-CB 4.44Å; R280-T317 HydrophobicContact CB-CG2 4.15Å
281L91.2Very high95.1Very high6 Ų619.9 Ų19.93%0.03111%0.11CC..SBendtrans-71.677.8174-171.563.7000109.4I287 A314 V315 Y324 I327 K328L281-I287 HydrophobicContact CD1-CD1 4.07Å; L281-A314 HydrophobicContact CB-CB 4.38Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; L281-V315 PolarHBondContact N-O 2.86Å; L281-Y324 VanDerWaalsContact O-CD1 3.24Å; L281-Y324 WeakPolarHBondContact O-CD1 3.27Å; L281-I327 HydrophobicContact CG-CG2 4.35Å; L281-K328 HydrophobicContact CD2-CB 3.69Å; L281-K328 HydrophobicContact CD2-CD 3.97Å; L281-K328 HydrophobicContact CD2-CG 3.75Å
282D90.4Very high95.6Very high1 Ų119.4 Ų19.41%0.0059%0.087CC..  trans-128.8144.3-174.1-164-56.1000110.4W96 R280 I284 K285 R318 Y324W96-D282 VanDerWaalsContact CZ2-OD2 3.25Å; W96-D282 WeakPolarHBondContact CZ2-OD2 3.35Å; W96-D282 PolarHBondContact NE1-OD1 2.9Å; R280-D282 PolarHBondContact O-N 3.12Å; D282-I284 HydrophobicContact CB-CG1 4.36Å; D282-I284 PolarHBondContact O-N 2.87Å; D282-I284 VanDerWaalsContact O-N 3.11Å; D282-I284 PolarHBondContact OD1-N 3.11Å; D282-I284 VanDerWaalsContact OD1-N 3.08Å; D282-K285 HydrophobicContact CB-CG 4.1Å; D282-K285 PolarHBondContact O-N 3.01Å; D282-K285 VanDerWaalsContact O-N 3.08Å; D282-R318 IonicContact OD2-NH1 3.3Å; D282-Y324 HydrophobicContact CB-CE1 3.95Å; D282-Y324 VanDerWaalsContact CG-OH 3.24Å; D282-Y324 PolarHBondContact OD1-OH 2.88Å; D282-Y324 VanDerWaalsContact OD2-CE1 3.3Å; D282-Y324 WeakPolarHBondContact OD2-CE1 3.26Å; D282-Y324 PolarHBondContact OD2-OH 3.02Å
283T89.2Confident95.8Very high30 Ų3017 Ų1718%0.1848%0.078CC..G310 helixtrans-49.1-32.9175.2570000113.9L102L102-T283 WeakPolarHBondContact CD1-OG1 3.38Å
284I93.3Very high95.9Very high2 Ų213.7 Ų13.71%0.016%0.064CC..G310 helixtrans-81.5-14.3-17670.8165.9000113.7W96 H100 L102 D282 G286 S376 L377 R378W96-I284 HydrophobicContact CH2-CD1 3.99Å; W96-I284 HydrophobicContact CZ2-CD1 3.46Å; W96-I284 VanDerWaalsContact CZ2-CD1 3.46Å; W96-I284 HydrophobicContact CZ2-CG1 4.08Å; H100-I284 HydrophobicContact CB-CG2 3.6Å; L102-I284 HydrophobicContact CD1-CG2 4.02Å; D282-I284 HydrophobicContact CB-CG1 4.36Å; D282-I284 PolarHBondContact O-N 2.87Å; D282-I284 VanDerWaalsContact O-N 3.11Å; D282-I284 PolarHBondContact OD1-N 3.11Å; D282-I284 VanDerWaalsContact OD1-N 3.08Å; I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 3.43Å; I284-S376 CarbonylContact O-C 3.53Å; I284-S376 WeakPolarHBondContact O-CA 3.47Å; I284-L377 PolarHBondContact O-N 2.85Å; I284-R378 WeakPolarHBondContact CD1-O 3.47Å
285K95Very high95.9Very high16 Ų1614.2 Ų14.27%0.077%0.066CC..G310 helixtrans-83.7-5.4-171-63.7-59.5-172.2-170.80113.8D279 R280 D282 I287 T375 D379D279-K285 HydrophobicContact CB-CB 4Å; D279-K285 HydrophobicContact CB-CG 4.09Å; R280-K285 WeakPolarHBondContact O-CG 3.31Å; D282-K285 HydrophobicContact CB-CG 4.1Å; D282-K285 PolarHBondContact O-N 3.01Å; D282-K285 VanDerWaalsContact O-N 3.08Å; K285-I287 HydrophobicContact CB-CD1 4.45Å; K285-I287 HydrophobicContact CB-CG1 4.11Å; K285-I287 PolarHBondContact O-N 3.44Å; K285-T375 CarbonylContact O-C 3.12Å; K285-D379 IonicContact NZ-OD1 3.13Å; K285-D379 PolarHBondContact NZ-OD1 3.48Å; K285-D379 IonicContact NZ-OD2 2.68Å; K285-D379 PolarHBondContact NZ-OD2 2.91Å
286G96.1Very high95.9Very high0 Ų017.4 Ų17.40%08%0.08CC..  trans58.833.7175.200000113.7I284 Q289 K290 T375I284-G286 VanDerWaalsContact C-N 3.29Å; I284-G286 PolarHBondContact O-N 3.43Å; G286-Q289 PolarHBondContact O-N 3.48Å; G286-K290 PolarHBondContact O-N 3.12Å; G286-T375 WeakPolarHBondContact CA-O 3.34Å; G286-T375 PolarHBondContact O-OG1 3.13Å
287I97.3Very high95.9Very high0 Ų017.4 Ų17.40%08%0.08CC..Hα-helixtrans-61.8-42.2179.3-58.3173.2000111.3D279 L281 K285 Q289 K290 Y291 Q312D279-I287 HydrophobicContact CB-CD1 3.98Å; D279-I287 HydrophobicContact CB-CG1 4.27Å; L281-I287 HydrophobicContact CD1-CD1 4.07Å; K285-I287 HydrophobicContact CB-CD1 4.45Å; K285-I287 HydrophobicContact CB-CG1 4.11Å; K285-I287 PolarHBondContact O-N 3.44Å; I287-Q289 PolarHBondContact O-N 3.24Å; I287-K290 WeakPolarHBondContact O-CB 3.44Å; I287-K290 PolarHBondContact O-N 3.37Å; I287-Y291 HydrophobicContact CG2-CD2 4.13Å; I287-Y291 HydrophobicContact CG2-CE1 4.4Å; I287-Y291 HydrophobicContact CG2-CE2 3.45Å; I287-Y291 VanDerWaalsContact CG2-CE2 3.45Å; I287-Y291 WeakPolarHBondContact O-CD2 3.02Å; I287-Y291 PolarHBondContact O-N 3.39Å; I287-Y291 VanDerWaalsContact O-N 3.11Å; I287-Q312 HydrophobicContact CG2-CG 4.29Å
288P97.1Very high95.8Very high6 Ų617.5 Ų17.54%0.0398%0.081CC..Hα-helixtrans-60-43173.8-24.634.7000113.3K290 Y291 Q292 I327P288-K290 VanDerWaalsContact C-N 3.26Å; P288-K290 PolarHBondContact O-N 3.29Å; P288-Y291 PolarHBondContact O-N 3.49Å; P288-Y291 VanDerWaalsContact O-N 3.13Å; P288-Q292 VanDerWaalsContact O-CG 3.31Å; P288-Q292 WeakPolarHBondContact O-CG 3.15Å; P288-Q292 PolarHBondContact O-N 3.22Å; P288-I327 HydrophobicContact CG-CD1 3.39Å; P288-I327 HydrophobicContact CG-CG1 4.37Å
289Q97.8Very high95.9Very high39 Ų3920 Ų2018%0.1829%0.091CC..Hα-helixtrans-60.7-39.6176.7-70.77410.800110.7G286 I287 Y291 Q292 A293 L377 P420 I423G286-Q289 PolarHBondContact O-N 3.48Å; I287-Q289 PolarHBondContact O-N 3.24Å; Q289-Y291 VanDerWaalsContact C-N 3.35Å; Q289-Y291 PolarHBondContact O-N 3.28Å; Q289-Q292 PolarHBondContact O-N 2.85Å; Q289-A293 WeakPolarHBondContact O-CB 3.2Å; Q289-A293 PolarHBondContact O-N 3.15Å; Q289-L377 HydrophobicContact CG-CD2 4.25Å; Q289-P420 WeakPolarHBondContact CB-O 3.32Å; Q289-P420 WeakPolarHBondContact CG-O 3.43Å; Q289-I423 HydrophobicContact CB-CD1 4.05Å; Q289-I423 HydrophobicContact CG-CD1 4.26Å
290K98.3Very high96Very high0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-55.6-48.2172.8-156.9-179.9-58.7-174.10112.1D279 G286 I287 P288 A293 F294 L310 L373 T375D279-K290 IonicContact OD2-NZ 3.3Å; D279-K290 PolarHBondContact OD2-NZ 3.13Å; G286-K290 PolarHBondContact O-N 3.12Å; I287-K290 WeakPolarHBondContact O-CB 3.44Å; I287-K290 PolarHBondContact O-N 3.37Å; P288-K290 VanDerWaalsContact C-N 3.26Å; P288-K290 PolarHBondContact O-N 3.29Å; K290-A293 PolarHBondContact O-N 3.09Å; K290-F294 WeakPolarHBondContact O-CB 3.26Å; K290-F294 PolarHBondContact O-N 3.5Å; K290-L310 HydrophobicContact CD-CD1 4.5Å; K290-L373 HydrophobicContact CD-CB 4.34Å; K290-L373 HydrophobicContact CD-CD2 3.94Å; K290-L373 HydrophobicContact CD-CG 3.96Å; K290-L373 WeakPolarHBondContact CE-O 3.31Å; K290-L373 HydrophobicContact CG-CD2 3.34Å; K290-L373 HydrophobicContact CG-CG 3.72Å; K290-L373 PolarHBondContact NZ-O 2.96Å; K290-T375 HydrophobicContact CB-CG2 4.31Å; K290-T375 WeakPolarHBondContact CB-OG1 3.23Å; K290-T375 WeakPolarHBondContact CE-OG1 3.43Å; K290-T375 HydrophobicContact CG-CG2 4.2Å
291Y98.5Very high96.3Very high0 Ų021 Ų210%010%0.101CC..Hα-helixtrans-67.7-41.4178.7-63.5-35000112.9I287 P288 Q289 A293 F294 E295 L310 Q312 C331 H334 V335 I338 I350 H352I287-Y291 HydrophobicContact CG2-CD2 4.13Å; I287-Y291 HydrophobicContact CG2-CE1 4.4Å; I287-Y291 HydrophobicContact CG2-CE2 3.45Å; I287-Y291 VanDerWaalsContact CG2-CE2 3.45Å; I287-Y291 WeakPolarHBondContact O-CD2 3.02Å; I287-Y291 PolarHBondContact O-N 3.39Å; I287-Y291 VanDerWaalsContact O-N 3.11Å; P288-Y291 PolarHBondContact O-N 3.49Å; P288-Y291 VanDerWaalsContact O-N 3.13Å; Q289-Y291 VanDerWaalsContact C-N 3.35Å; Q289-Y291 PolarHBondContact O-N 3.28Å; Y291-A293 VanDerWaalsContact C-N 3.33Å; Y291-A293 PolarHBondContact O-N 2.88Å; Y291-F294 PolarHBondContact O-N 3.08Å; Y291-E295 WeakPolarHBondContact O-CB 3.46Å; Y291-E295 PolarHBondContact O-N 3.45Å; Y291-L310 HydrophobicContact CD1-CD2 3.7Å; Y291-L310 HydrophobicContact CE1-CD2 3.79Å; Y291-Q312 HydrophobicContact CE1-CB 4.2Å; Y291-Q312 WeakPolarHBondContact OH-CB 3.47Å; Y291-Q312 VanDerWaalsContact OH-CG 3.3Å; Y291-Q312 WeakPolarHBondContact OH-CG 3.29Å; Y291-C331 HydrophobicContact CE2-CB 3.95Å; Y291-H334 HydrophobicContact CD2-CB 3.72Å; Y291-H334 HydrophobicContact CG-CB 4.16Å; Y291-V335 HydrophobicContact CD2-CG2 4.34Å; Y291-V335 HydrophobicContact CE1-CG2 4.22Å; Y291-V335 HydrophobicContact CE2-CG2 3.73Å; Y291-I338 WeakPolarHBondContact O-CD1 3.3Å; Y291-I350 HydrophobicContact CD1-CD1 3.93Å; Y291-I350 HydrophobicContact CE1-CD1 4.39Å; Y291-I350 HydrophobicContact CE1-CG2 4.06Å; Y291-H352 PolarHBondContact OH-ND1 3.12Å
292Q98.1Very high96.4Very high68 Ų6823.2 Ų23.232%0.31812%0.12SC..Hα-helixtrans-61.3-42.4175.9-70.4171-8.900111.4P288 Q289 E295 K296 I423P288-Q292 VanDerWaalsContact O-CG 3.31Å; P288-Q292 WeakPolarHBondContact O-CG 3.15Å; P288-Q292 PolarHBondContact O-N 3.22Å; Q289-Q292 PolarHBondContact O-N 2.85Å; Q292-E295 PolarHBondContact O-N 3.08Å; Q292-K296 WeakPolarHBondContact O-CB 2.81Å; Q292-K296 PolarHBondContact O-N 3.38Å; Q292-I423 HydrophobicContact CB-CD1 3.9Å; Q292-I423 HydrophobicContact CB-CG1 4.33Å; Q292-I423 HydrophobicContact CB-CG2 4.15Å
293A98.4Very high96.7Very high0 Ų028.2 Ų28.20%014%0.143CC..Hα-helixtrans-67.4-42.7176.800000112.5Q289 K290 Y291 E295 K296 F297 I423 V426Q289-A293 WeakPolarHBondContact O-CB 3.2Å; Q289-A293 PolarHBondContact O-N 3.15Å; K290-A293 PolarHBondContact O-N 3.09Å; Y291-A293 VanDerWaalsContact C-N 3.33Å; Y291-A293 PolarHBondContact O-N 2.88Å; A293-E295 VanDerWaalsContact C-N 3.35Å; A293-K296 PolarHBondContact O-N 3.37Å; A293-F297 WeakPolarHBondContact O-CB 3.3Å; A293-F297 PolarHBondContact O-N 3.07Å; A293-I423 HydrophobicContact CB-CG2 4.27Å; A293-V426 HydrophobicContact CB-CB 3.54Å; A293-V426 HydrophobicContact CB-CG1 3.38Å
294F98.5Very high97Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-65.6-38.5176.4-176.3-118.7000112.2I275 K290 Y291 F297 L298 V308 L310 P349 I350I275-F294 HydrophobicContact CD1-CD2 3.99Å; I275-F294 HydrophobicContact CD1-CE2 3.84Å; K290-F294 WeakPolarHBondContact O-CB 3.26Å; K290-F294 PolarHBondContact O-N 3.5Å; Y291-F294 PolarHBondContact O-N 3.08Å; F294-F297 HydrophobicContact CD2-CD1 4.26Å; F294-F297 HydrophobicContact CE2-CD1 4.27Å; F294-F297 WeakPolarHBondContact O-CB 3.12Å; F294-F297 PolarHBondContact O-N 3.33Å; F294-L298 HydrophobicContact CD1-CD1 4.15Å; F294-L298 HydrophobicContact CE1-CD1 3.71Å; F294-L298 HydrophobicContact CE1-CG 4.38Å; F294-L298 HydrophobicContact CE2-CD2 4.42Å; F294-L298 HydrophobicContact CE2-CG 4.36Å; F294-L298 HydrophobicContact CZ-CD1 3.92Å; F294-L298 HydrophobicContact CZ-CD2 4.26Å; F294-L298 HydrophobicContact CZ-CG 4.2Å; F294-L298 WeakPolarHBondContact O-CG 3.41Å; F294-L298 PolarHBondContact O-N 3.33Å; F294-V308 HydrophobicContact CE2-CG1 3.93Å; F294-V308 HydrophobicContact CE2-CG2 4.3Å; F294-V308 HydrophobicContact CZ-CG1 4.06Å; F294-L310 HydrophobicContact CB-CD2 4.18Å; F294-L310 HydrophobicContact CD1-CB 3.93Å; F294-L310 HydrophobicContact CD1-CD2 4Å; F294-L310 HydrophobicContact CE1-CB 3.75Å; F294-L310 HydrophobicContact CE2-CB 4.38Å; F294-L310 HydrophobicContact CG-CB 4.3Å; F294-L310 HydrophobicContact CG-CD2 4.13Å; F294-L310 HydrophobicContact CZ-CB 4Å; F294-P349 HydrophobicContact CE1-CB 4.04Å; F294-P349 HydrophobicContact CZ-CB 4.45Å; F294-I350 HydrophobicContact CD1-CD1 3.95Å; F294-I350 HydrophobicContact CD1-CG1 3.81Å; F294-I350 HydrophobicContact CE1-CD1 4.36Å; F294-I350 HydrophobicContact CE1-CG1 3.72Å
295E98.2Very high97Very high15 Ų1533.4 Ų33.47%0.0716%0.16CC..Hα-helixtrans-59.7-50.4171.5-177175-15300111.5Y291 Q292 A293 F297 L298 E299 R337 I338 R341 F342Y291-E295 WeakPolarHBondContact O-CB 3.46Å; Y291-E295 PolarHBondContact O-N 3.45Å; Q292-E295 PolarHBondContact O-N 3.08Å; A293-E295 VanDerWaalsContact C-N 3.35Å; E295-F297 PolarHBondContact O-N 3.29Å; E295-L298 PolarHBondContact O-N 3.4Å; E295-E299 WeakPolarHBondContact O-CG 3.47Å; E295-E299 PolarHBondContact O-N 3.19Å; E295-R337 IonicContact OE1-CZ 2.77Å; E295-R337 IonicContact OE1-NH1 3.35Å; E295-R337 PolarHBondContact OE1-NH1 3.41Å; E295-R337 IonicContact OE1-NH2 3.83Å; E295-R337 IonicContact OE2-CZ 3.76Å; E295-R337 IonicContact OE2-NH1 2.93Å; E295-R337 PolarHBondContact OE2-NH1 3.34Å; E295-R337 IonicContact OE2-NH2 2.52Å; E295-R337 PolarHBondContact OE2-NH2 2.96Å; E295-I338 HydrophobicContact CB-CD1 3.83Å; E295-I338 HydrophobicContact CB-CG1 3.93Å; E295-I338 HydrophobicContact CG-CG1 4.12Å; E295-R341 IonicContact OE1-CZ 3.38Å; E295-R341 IonicContact OE1-NH1 3.06Å; E295-R341 PolarHBondContact OE1-NH1 2.95Å; E295-F342 HydrophobicContact CG-CE2 3.79Å; E295-F342 HydrophobicContact CG-CZ 4.41Å
296K98Very high96.8Very high66 Ų6634.8 Ų34.829%0.28718%0.178SC..Hα-helixtrans-57.4-40.5179.5-173.857.7168.4146.40111.4Q292 A293 E299 E300 I423Q292-K296 WeakPolarHBondContact O-CB 2.81Å; Q292-K296 PolarHBondContact O-N 3.38Å; A293-K296 PolarHBondContact O-N 3.37Å; K296-E299 WeakPolarHBondContact CD-OE2 3.49Å; K296-E299 IonicContact NZ-OE2 3.89Å; K296-E299 WeakPolarHBondContact O-CB 3.28Å; K296-E299 PolarHBondContact O-N 2.89Å; K296-E300 HydrophobicContact CD-CG 4.43Å; K296-E300 WeakPolarHBondContact CE-OE1 3.39Å; K296-E300 IonicContact NZ-OE1 3.91Å; K296-E300 PolarHBondContact NZ-OE1 2.66Å; K296-E300 WeakPolarHBondContact O-CG 3.34Å; K296-E300 PolarHBondContact O-N 3.15Å; K296-E300 VanDerWaalsContact O-N 3.08Å; K296-I423 HydrophobicContact CB-CG2 4.08Å; K296-I423 HydrophobicContact CG-CG2 4.45Å
297F98.4Very high96.7Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-59.8-46.7174169.8-99.1000112.2A293 F294 E295 E299 E300 N301 W304 V308 S427 I430 L434A293-F297 WeakPolarHBondContact O-CB 3.3Å; A293-F297 PolarHBondContact O-N 3.07Å; F294-F297 HydrophobicContact CD2-CD1 4.26Å; F294-F297 HydrophobicContact CE2-CD1 4.27Å; F294-F297 WeakPolarHBondContact O-CB 3.12Å; F294-F297 PolarHBondContact O-N 3.33Å; E295-F297 PolarHBondContact O-N 3.29Å; F297-E299 VanDerWaalsContact C-N 3.32Å; F297-E299 PolarHBondContact O-N 3.37Å; F297-E300 PolarHBondContact O-N 2.77Å; F297-N301 HydrophobicContact CD2-CB 4.48Å; F297-N301 VanDerWaalsContact CD2-ND2 3.32Å; F297-N301 WeakPolarHBondContact CD2-ND2 3.5Å; F297-N301 HydrophobicContact CE2-CB 4.05Å; F297-N301 HydrophobicContact CZ-CB 4.26Å; F297-N301 WeakPolarHBondContact O-CB 3.41Å; F297-N301 PolarHBondContact O-N 2.75Å; F297-N301 PolarHBondContact O-ND2 3.18Å; F297-W304 HydrophobicContact CE1-CB 3.81Å; F297-W304 HydrophobicContact CE1-CG 4.03Å; F297-W304 HydrophobicContact CZ-CB 3.81Å; F297-W304 AromaticContact CZ-CD1 3.55Å; F297-W304 HydrophobicContact CZ-CD2 4.17Å; F297-W304 AromaticContact CZ-CG 3.54Å; F297-W304 HydrophobicContact CZ-CG 3.54Å; F297-V308 HydrophobicContact CE1-CG1 4.02Å; F297-S427 WeakPolarHBondContact CA-OG 3.26Å; F297-S427 PolarHBondContact N-OG 3.45Å; F297-S427 VanDerWaalsContact N-OG 3.14Å; F297-I430 HydrophobicContact CB-CG2 4.42Å; F297-I430 HydrophobicContact CD1-CG2 3.85Å; F297-I430 HydrophobicContact CD2-CB 4.15Å; F297-I430 HydrophobicContact CD2-CG2 3.8Å; F297-I430 HydrophobicContact CE1-CG2 4.05Å; F297-I430 HydrophobicContact CE2-CG2 4.01Å; F297-I430 HydrophobicContact CG-CB 4.25Å; F297-I430 HydrophobicContact CG-CG2 3.72Å; F297-I430 HydrophobicContact CZ-CG2 4.12Å; F297-L434 HydrophobicContact CE1-CD1 3.84Å; F297-L434 HydrophobicContact CE2-CD1 4.23Å; F297-L434 HydrophobicContact CZ-CD1 3.45Å; F297-L434 VanDerWaalsContact CZ-CD1 3.45Å
298L98Very high96.7Very high3 Ų340.6 Ų40.62%0.01620%0.204CC..Hα-helixtrans-67.7-30.1177.7-67.5176.3000113.2F294 E295 R305 V308 I338 F342 P349F294-L298 HydrophobicContact CD1-CD1 4.15Å; F294-L298 HydrophobicContact CE1-CD1 3.71Å; F294-L298 HydrophobicContact CE1-CG 4.38Å; F294-L298 HydrophobicContact CE2-CD2 4.42Å; F294-L298 HydrophobicContact CE2-CG 4.36Å; F294-L298 HydrophobicContact CZ-CD1 3.92Å; F294-L298 HydrophobicContact CZ-CD2 4.26Å; F294-L298 HydrophobicContact CZ-CG 4.2Å; F294-L298 WeakPolarHBondContact O-CG 3.41Å; F294-L298 PolarHBondContact O-N 3.33Å; E295-L298 PolarHBondContact O-N 3.4Å; L298-R305 HydrophobicContact CD2-CG 4.37Å; L298-R305 PolarHBondContact O-NE 3.23Å; L298-R305 PolarHBondContact O-NH2 3.38Å; L298-V308 HydrophobicContact CD2-CG1 3.89Å; L298-I338 HydrophobicContact CD1-CG2 4.41Å; L298-F342 HydrophobicContact CB-CD1 4.06Å; L298-F342 HydrophobicContact CB-CE1 4.05Å; L298-F342 HydrophobicContact CB-CG 4.32Å; L298-F342 HydrophobicContact CB-CZ 4.31Å; L298-F342 HydrophobicContact CD1-CB 4.17Å; L298-F342 HydrophobicContact CD1-CD2 4.32Å; L298-F342 HydrophobicContact CD1-CG 4.13Å; L298-P349 HydrophobicContact CD1-CB 3.91Å
299E97.1Very high96.7Very high66 Ų6640.3 Ų40.331%0.30820%0.202SC..Hα-helixtrans-63.6-50.1172.2-72-178.1156.200111.4E295 K296 F297 R305 R341 F342E295-E299 WeakPolarHBondContact O-CG 3.47Å; E295-E299 PolarHBondContact O-N 3.19Å; K296-E299 WeakPolarHBondContact CD-OE2 3.49Å; K296-E299 IonicContact NZ-OE2 3.89Å; K296-E299 WeakPolarHBondContact O-CB 3.28Å; K296-E299 PolarHBondContact O-N 2.89Å; F297-E299 VanDerWaalsContact C-N 3.32Å; F297-E299 PolarHBondContact O-N 3.37Å; E299-R305 PolarHBondContact O-NH2 3.39Å; E299-R341 IonicContact OE1-CZ 2.64Å; E299-R341 IonicContact OE1-NH1 3.61Å; E299-R341 PolarHBondContact OE1-NH1 3.34Å; E299-R341 IonicContact OE1-NH2 3.89Å; E299-R341 PolarHBondContact OE1-NH2 2.77Å; E299-F342 HydrophobicContact CG-CE1 4.47Å; E299-F342 HydrophobicContact CG-CZ 3.7Å
300E96.7Very high96.8Very high84 Ų8438.5 Ų38.539%0.39319%0.193SC..Hα-helixtrans-79.8-24.3-172.1-67.9177.3159.500113.2K296 F297 S427K296-E300 HydrophobicContact CD-CG 4.43Å; K296-E300 WeakPolarHBondContact CE-OE1 3.39Å; K296-E300 IonicContact NZ-OE1 3.91Å; K296-E300 PolarHBondContact NZ-OE1 2.66Å; K296-E300 WeakPolarHBondContact O-CG 3.34Å; K296-E300 PolarHBondContact O-N 3.15Å; K296-E300 VanDerWaalsContact O-N 3.08Å; F297-E300 PolarHBondContact O-N 2.77Å; E300-S427 PolarHBondContact OE2-OG 3.23Å
301N96.7Very high96.8Very high38 Ų3838.8 Ų38.820%0.20320%0.195CC..  trans-12573.4-174.5-51.7-91.5000110.6F297 E303 W304F297-N301 HydrophobicContact CD2-CB 4.48Å; F297-N301 VanDerWaalsContact CD2-ND2 3.32Å; F297-N301 WeakPolarHBondContact CD2-ND2 3.5Å; F297-N301 HydrophobicContact CE2-CB 4.05Å; F297-N301 HydrophobicContact CZ-CB 4.26Å; F297-N301 WeakPolarHBondContact O-CB 3.41Å; F297-N301 PolarHBondContact O-N 2.75Å; F297-N301 PolarHBondContact O-ND2 3.18Å; N301-E303 WeakPolarHBondContact CA-OE2 3.29Å; N301-E303 WeakPolarHBondContact CB-OE1 3.24Å; N301-E303 PolarHBondContact O-N 2.8Å; N301-E303 VanDerWaalsContact O-N 3.14Å; N301-W304 PolarHBondContact O-N 3.47Å; N301-W304 VanDerWaalsContact O-N 3.09Å
302A94.3Very high96.8Very high53 Ų5338.8 Ų38.844%0.43820%0.195SC..G310 helixtrans-59.6-26.8-174.700000113.4W304 R305A302-W304 PolarHBondContact O-N 2.82Å; A302-R305 WeakPolarHBondContact O-CB 3.38Å; A302-R305 WeakPolarHBondContact O-CG 3.38Å; A302-R305 PolarHBondContact O-N 3.44Å
303E95Very high96.7Very high106 Ų10635.7 Ų35.750%0.49518%0.18SC..G310 helixtrans-67.7-18.817871.9-76.2179.400114.4N301 K307N301-E303 WeakPolarHBondContact CA-OE2 3.29Å; N301-E303 WeakPolarHBondContact CB-OE1 3.24Å; N301-E303 PolarHBondContact O-N 2.8Å; N301-E303 VanDerWaalsContact O-N 3.14Å; E303-K307 VanDerWaalsContact O-CD 3.28Å; E303-K307 WeakPolarHBondContact O-CD 3.31Å; E303-K307 VanDerWaalsContact O-CE 3.28Å; E303-K307 WeakPolarHBondContact O-CE 3.17Å; E303-K307 PolarHBondContact O-NZ 2.83Å
304W95.7Very high96.5Very high32 Ų3235.7 Ų35.712%0.12118%0.18CC..G310 helixtrans-88.3-13.8175.8-79.5102.1000113.4K273 F297 N301 A302 G306 K307 V308 L434K273-W304 HydrophobicContact CB-CZ3 4.26Å; K273-W304 HydrophobicContact CG-CH2 4.19Å; K273-W304 HydrophobicContact CG-CZ3 3.69Å; F297-W304 HydrophobicContact CE1-CB 3.81Å; F297-W304 HydrophobicContact CE1-CG 4.03Å; F297-W304 HydrophobicContact CZ-CB 3.81Å; F297-W304 AromaticContact CZ-CD1 3.55Å; F297-W304 HydrophobicContact CZ-CD2 4.17Å; F297-W304 AromaticContact CZ-CG 3.54Å; F297-W304 HydrophobicContact CZ-CG 3.54Å; N301-W304 PolarHBondContact O-N 3.47Å; N301-W304 VanDerWaalsContact O-N 3.09Å; A302-W304 PolarHBondContact O-N 2.82Å; W304-G306 PolarHBondContact O-N 3.46Å; W304-K307 HydrophobicContact CE3-CB 4.07Å; W304-K307 HydrophobicContact CZ3-CB 4.49Å; W304-K307 PolarHBondContact O-N 2.66Å; W304-V308 HydrophobicContact CB-CG1 4.24Å; W304-V308 HydrophobicContact CE3-CB 4.14Å; W304-V308 PolarHBondContact O-N 2.57Å; W304-L434 HydrophobicContact CD2-CD1 4.21Å; W304-L434 HydrophobicContact CE3-CD1 4.29Å; W304-L434 HydrophobicContact CH2-CB 3.88Å; W304-L434 HydrophobicContact CZ2-CB 3.74Å; W304-L434 HydrophobicContact CZ3-CD1 4.49Å
305R93.4Very high96.2Very high110 Ų11038 Ų3842%0.41519%0.194SC..THydrogen-bonded Turntrans-59127.4177.6-62.9175.8-172.1165.210110L298 E299 A302 K307 F342L298-R305 HydrophobicContact CD2-CG 4.37Å; L298-R305 PolarHBondContact O-NE 3.23Å; L298-R305 PolarHBondContact O-NH2 3.38Å; E299-R305 PolarHBondContact O-NH2 3.39Å; A302-R305 WeakPolarHBondContact O-CB 3.38Å; A302-R305 WeakPolarHBondContact O-CG 3.38Å; A302-R305 PolarHBondContact O-N 3.44Å; R305-K307 PolarHBondContact O-N 3.17Å; R305-F342 HydrophobicContact CG-CD1 4.42Å
306G91Very high95.6Very high44 Ų4439.7 Ų39.745%0.45421%0.207SC..THydrogen-bonded Turntrans76.6-10.1-175.300000115.4R272 W304R272-G306 WeakPolarHBondContact CD-O 3.46Å; R272-G306 WeakPolarHBondContact CG-O 3.18Å; W304-G306 PolarHBondContact O-N 3.46Å
307K95Very high94.8Very high121 Ų12137.7 Ų37.753%0.52620%0.2SC..THydrogen-bonded Turntrans-100.1-18.2176.2-61.2-176.1-168.6151.90113.6R272 K273 E303 W304 R305R272-K307 CarbonylContact C-O 3.6Å; R272-K307 VanDerWaalsContact CA-O 3.25Å; R272-K307 WeakPolarHBondContact CA-O 3.02Å; R272-K307 WeakPolarHBondContact CB-O 3.48Å; K273-K307 PolarHBondContact N-O 2.67Å; E303-K307 VanDerWaalsContact O-CD 3.28Å; E303-K307 WeakPolarHBondContact O-CD 3.31Å; E303-K307 VanDerWaalsContact O-CE 3.28Å; E303-K307 WeakPolarHBondContact O-CE 3.17Å; E303-K307 PolarHBondContact O-NZ 2.83Å; W304-K307 HydrophobicContact CE3-CB 4.07Å; W304-K307 HydrophobicContact CZ3-CB 4.49Å; W304-K307 PolarHBondContact O-N 2.66Å; R305-K307 PolarHBondContact O-N 3.17Å
308V97.2Very high93.6Very high2 Ų238.8 Ų38.81%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-121151.9175.870.60000110.7K273 I275 F294 F297 L298 W304 L434K273-V308 HydrophobicContact CB-CB 4.39Å; K273-V308 HydrophobicContact CB-CG2 4.13Å; K273-V308 CarbonylContact O-C 3.55Å; K273-V308 WeakPolarHBondContact O-CA 3.34Å; K273-V308 WeakPolarHBondContact O-CG2 3.47Å; I275-V308 HydrophobicContact CD1-CG2 3.82Å; I275-V308 HydrophobicContact CG1-CG2 3.86Å; F294-V308 HydrophobicContact CE2-CG1 3.93Å; F294-V308 HydrophobicContact CE2-CG2 4.3Å; F294-V308 HydrophobicContact CZ-CG1 4.06Å; F297-V308 HydrophobicContact CE1-CG1 4.02Å; L298-V308 HydrophobicContact CD2-CG1 3.89Å; W304-V308 HydrophobicContact CB-CG1 4.24Å; W304-V308 HydrophobicContact CE3-CB 4.14Å; W304-V308 PolarHBondContact O-N 2.57Å; V308-L434 HydrophobicContact CG2-CD1 4.02Å; V308-L434 HydrophobicContact CG2-CD2 4.2Å
309M97.4Very high92.3Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-140.3148.1170.260.9-179.5-72.200111.7F269 R272 K273 L274 I275 P349 I351F269-M309 HydrophobicContact CB-SD 3.88Å; F269-M309 HydrophobicContact CD1-CE 3.62Å; F269-M309 HydrophobicContact CD1-SD 3.64Å; F269-M309 HydrophobicContact CE1-CE 3.77Å; F269-M309 HydrophobicContact CE1-SD 4.37Å; F269-M309 HydrophobicContact CG-CE 4.29Å; F269-M309 HydrophobicContact CG-SD 3.8Å; R272-M309 HydrophobicContact CB-CG 4.41Å; R272-M309 VanDerWaalsContact CZ-SD 3.58Å; K273-M309 PolarHBondContact O-N 3.29Å; L274-M309 HydrophobicContact CD1-CE 4.26Å; L274-M309 HydrophobicContact CD1-CG 4.01Å; L274-M309 HydrophobicContact CD1-SD 4.41Å; I275-M309 PolarHBondContact N-O 2.77Å; M309-P349 CarbonylContact C-O 3.49Å; M309-P349 VanDerWaalsContact CA-O 3.3Å; M309-P349 WeakPolarHBondContact CA-O 3.5Å; M309-I351 HydrophobicContact CE-CD1 3.44Å; M309-I351 VanDerWaalsContact CE-CD1 3.44Å; M309-I351 HydrophobicContact CE-CG1 4Å
310L98.4Very high91Very high0 Ų044.4 Ų44.40%025%0.254CS..EExtended strand (participates in β ladder)trans-105117.1171.6175.365.5000109.7I275 K290 Y291 F294 P349 I350 I351I275-L310 HydrophobicContact CB-CD1 3.9Å; I275-L310 HydrophobicContact CG2-CD1 3.61Å; I275-L310 CarbonylContact O-C 3.6Å; I275-L310 WeakPolarHBondContact O-CA 3.12Å; K290-L310 HydrophobicContact CD-CD1 4.5Å; Y291-L310 HydrophobicContact CD1-CD2 3.7Å; Y291-L310 HydrophobicContact CE1-CD2 3.79Å; F294-L310 HydrophobicContact CB-CD2 4.18Å; F294-L310 HydrophobicContact CD1-CB 3.93Å; F294-L310 HydrophobicContact CD1-CD2 4Å; F294-L310 HydrophobicContact CE1-CB 3.75Å; F294-L310 HydrophobicContact CE2-CB 4.38Å; F294-L310 HydrophobicContact CG-CB 4.3Å; F294-L310 HydrophobicContact CG-CD2 4.13Å; F294-L310 HydrophobicContact CZ-CB 4Å; L310-P349 PolarHBondContact N-O 3.16Å; L310-I350 HydrophobicContact CB-CG1 4.33Å; L310-I350 HydrophobicContact CD2-CD1 4.45Å; L310-I350 HydrophobicContact CD2-CG1 4.45Å; L310-I350 CarbonylContact O-C 3.51Å; L310-I350 VanDerWaalsContact O-CA 3.31Å; L310-I350 WeakPolarHBondContact O-CA 3.21Å; L310-I351 PolarHBondContact O-N 3.44Å
311L98.2Very high89.9Confident7 Ų740.8 Ų40.84%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-98.2114.4168.5176.960.6000108.6F269 L274 I275 L276 G277 I351 L353 L365F269-L311 HydrophobicContact CZ-CD2 4.22Å; L274-L311 HydrophobicContact CD1-CB 3.79Å; I275-L311 PolarHBondContact O-N 3Å; L276-L311 WeakPolarHBondContact CA-O 3.08Å; L276-L311 HydrophobicContact CD1-CB 4.15Å; L276-L311 HydrophobicContact CD1-CD2 3.96Å; L276-L311 HydrophobicContact CD1-CG 3.98Å; G277-L311 PolarHBondContact N-O 3.34Å; L311-I351 CarbonylContact C-O 3.58Å; L311-I351 WeakPolarHBondContact CA-O 3.48Å; L311-I351 HydrophobicContact CD1-CB 3.77Å; L311-I351 HydrophobicContact CD1-CG2 3.63Å; L311-L353 HydrophobicContact CD1-CD1 4.09Å; L311-L353 HydrophobicContact CD1-CG 4.4Å; L311-L365 HydrophobicContact CD2-CD1 4.02Å; L311-L365 HydrophobicContact CD2-CD2 3.76Å
312Q98.4Very high89.1Confident0 Ų041.3 Ų41.30%025%0.252CS..EExtended strand (participates in β ladder)trans-107118.2172-17970.253.700110G277 D279 I287 Y291 A314 I351 H352 L353G277-Q312 VanDerWaalsContact C-NE2 3.33Å; G277-Q312 WeakPolarHBondContact O-CA 3.16Å; G277-Q312 PolarHBondContact O-NE2 3.37Å; D279-Q312 PolarHBondContact OD2-NE2 2.91Å; I287-Q312 HydrophobicContact CG2-CG 4.29Å; Y291-Q312 HydrophobicContact CE1-CB 4.2Å; Y291-Q312 WeakPolarHBondContact OH-CB 3.47Å; Y291-Q312 VanDerWaalsContact OH-CG 3.3Å; Y291-Q312 WeakPolarHBondContact OH-CG 3.29Å; Q312-A314 HydrophobicContact CG-CB 4.45Å; Q312-I351 PolarHBondContact N-O 2.76Å; Q312-H352 WeakPolarHBondContact O-CA 3.46Å; Q312-L353 PolarHBondContact O-N 2.88Å
313I97.2Very high88.4Confident3 Ų342.7 Ų42.72%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-93113.6165.1-61.5163.8000106.7L276 G277 V278 D279 V315 I357 L362 L365L276-I313 HydrophobicContact CD1-CD1 4.34Å; G277-I313 PolarHBondContact O-N 3.5Å; V278-I313 HydrophobicContact CG1-CB 4.4Å; V278-I313 HydrophobicContact CG1-CG2 4.49Å; V278-I313 HydrophobicContact CG2-CD1 4.18Å; D279-I313 PolarHBondContact N-O 3.04Å; I313-V315 HydrophobicContact CG2-CG2 4.32Å; I313-I357 HydrophobicContact CD1-CB 4.39Å; I313-I357 HydrophobicContact CD1-CG1 3.71Å; I313-I357 HydrophobicContact CG1-CG1 4.01Å; I313-I357 HydrophobicContact CG2-CG1 3.92Å; I313-L362 HydrophobicContact CD1-CD1 4.13Å; I313-L365 HydrophobicContact CD1-CD1 3.77Å
314A94.8Very high87.8Confident0 Ų038.1 Ų38.10%023%0.227CC..EExtended strand (participates in β ladder)trans-11298.4179.600000109.1D279 L281 Q312 P316 L353 D354 C355D279-A314 CarbonylContact O-C 3.58Å; D279-A314 WeakPolarHBondContact O-CA 3.45Å; L281-A314 HydrophobicContact CB-CB 4.38Å; L281-A314 HydrophobicContact CD1-CB 4.22Å; Q312-A314 HydrophobicContact CG-CB 4.45Å; A314-P316 VanDerWaalsContact O-CD 3.25Å; A314-P316 WeakPolarHBondContact O-CD 3.43Å; A314-L353 PolarHBondContact N-O 3.49Å; A314-D354 CarbonylContact O-C 3.57Å; A314-D354 WeakPolarHBondContact O-CA 3.49Å; A314-C355 PolarHBondContact O-N 2.77Å
315V90.4Very high87.4Confident47 Ų4740.7 Ų40.729%0.28524%0.241SC..EExtended strand (participates in β ladder)trans-74.1117.4-177.9-1760000109.1D279 R280 L281 I313D279-V315 PolarHBondContact O-N 3.47Å; R280-V315 WeakPolarHBondContact CA-O 3.44Å; R280-V315 HydrophobicContact CG-CB 4.44Å; L281-V315 PolarHBondContact N-O 2.86Å; I313-V315 HydrophobicContact CG2-CG2 4.32Å
316P87Confident87.2Confident52 Ų5240.7 Ų40.734%0.33824%0.244SC..  trans-59.4139.1-179.3-24.535.4000111.9A314A314-P316 VanDerWaalsContact O-CD 3.25Å; A314-P316 WeakPolarHBondContact O-CD 3.43Å
317T79.5Confident87.1Confident24 Ų2439.3 Ų39.315%0.14723%0.226CC..  trans-150.3146.6179.5-164.10000110.3R280 N319 Y324R280-T317 HydrophobicContact CB-CG2 4.15Å; T317-N319 VanDerWaalsContact C-N 3.29Å; T317-N319 PolarHBondContact O-N 3.48Å; T317-N319 VanDerWaalsContact O-N 3.16Å; T317-Y324 HydrophobicContact CG2-CD1 3.92Å; T317-Y324 HydrophobicContact CG2-CE1 3.7Å
318R74.5Confident87Confident22 Ų2236.1 Ų36.18%0.08321%0.212CC..  trans51.840.8170.6-59.6170.5-178175.63.1114.6N92 W96 Y149 D282 G320 I321 Y324N92-R318 VanDerWaalsContact CG-CZ 3.43Å; N92-R318 VanDerWaalsContact CG-NE 3.32Å; N92-R318 PolarHBondContact ND2-NE 2.86Å; N92-R318 PolarHBondContact OD1-NE 2.94Å; N92-R318 PolarHBondContact OD1-NH1 3.3Å; N92-R318 PolarHBondContact OD1-NH2 3.33Å; W96-R318 VanDerWaalsContact CG-NH1 3.32Å; Y149-R318 PolarHBondContact OH-NH2 3.31Å; D282-R318 IonicContact OD2-NH1 3.3Å; R318-G320 PolarHBondContact O-N 2.95Å; R318-I321 HydrophobicContact CB-CD1 3.99Å; R318-I321 HydrophobicContact CB-CG1 4.37Å; R318-I321 HydrophobicContact CG-CD1 4.42Å; R318-I321 PolarHBondContact O-N 2.82Å; R318-Y324 HydrophobicContact CB-CD1 4.1Å; R318-Y324 HydrophobicContact CB-CD2 4.16Å; R318-Y324 HydrophobicContact CB-CE1 4.15Å; R318-Y324 HydrophobicContact CB-CE2 4.19Å; R318-Y324 HydrophobicContact CB-CG 4.13Å; R318-Y324 VanDerWaalsContact CD-CZ 3.48Å; R318-Y324 WeakPolarHBondContact CD-OH 3.29Å; R318-Y324 PolarHBondContact NH1-OH 3.31Å
319N70.9Confident86.8Confident112 Ų11240.1 Ų40.160%0.59923%0.233SC*.THydrogen-bonded Turntrans-57.4-17.5-175.1-63.2-17.9000115T317 I321T317-N319 VanDerWaalsContact C-N 3.29Å; T317-N319 PolarHBondContact O-N 3.48Å; T317-N319 VanDerWaalsContact O-N 3.16Å; N319-I321 VanDerWaalsContact C-N 3.3Å
320G69Low86.7Confident75 Ų7544.8 Ų44.877%0.77326%0.255SS*.THydrogen-bonded Turntrans-76.8-10.5175.800000114.8R318R318-G320 PolarHBondContact O-N 2.95Å
321I74.6Confident86.6Confident9 Ų944.8 Ų44.85%0.04626%0.255CS..SBendtrans-98.8122.7-175.2-55.6-179.7000109.8N92 R318 N319 E323 Y324 Q325N92-I321 HydrophobicContact CB-CD1 3.58Å; R318-I321 HydrophobicContact CB-CD1 3.99Å; R318-I321 HydrophobicContact CB-CG1 4.37Å; R318-I321 HydrophobicContact CG-CD1 4.42Å; R318-I321 PolarHBondContact O-N 2.82Å; N319-I321 VanDerWaalsContact C-N 3.3Å; I321-E323 VanDerWaalsContact C-N 3.28Å; I321-E323 PolarHBondContact O-N 3.45Å; I321-E323 VanDerWaalsContact O-N 3.16Å; I321-Y324 HydrophobicContact CB-CD2 3.7Å; I321-Y324 HydrophobicContact CB-CE2 4.33Å; I321-Y324 HydrophobicContact CD1-CD2 4.41Å; I321-Y324 HydrophobicContact CD1-CE2 4.24Å; I321-Y324 HydrophobicContact CG2-CD2 3.77Å; I321-Y324 HydrophobicContact CG2-CE2 4.2Å; I321-Y324 WeakPolarHBondContact O-CB 3.37Å; I321-Y324 PolarHBondContact O-N 3.34Å; I321-Q325 PolarHBondContact O-N 3.15Å
322G79Confident86.5Confident49 Ų4948.1 Ų48.151%0.50527%0.27SS..Hα-helixtrans-57-33.3-173.700000115.4Y324 Q325 K326G322-Y324 VanDerWaalsContact C-N 3.3Å; G322-Y324 PolarHBondContact O-N 3.25Å; G322-Q325 PolarHBondContact O-N 3.02Å; G322-K326 PolarHBondContact O-N 3.17Å; G322-K326 VanDerWaalsContact O-N 3.13Å
323E79.6Confident86.5Confident81 Ų8155.2 Ų55.238%0.37930%0.298SS..Hα-helixtrans-63.7-33.5175.9-67.1-56.1132.800112.9I321 Q325 K326 I327I321-E323 VanDerWaalsContact C-N 3.28Å; I321-E323 PolarHBondContact O-N 3.45Å; I321-E323 VanDerWaalsContact O-N 3.16Å; E323-Q325 VanDerWaalsContact C-N 3.32Å; E323-K326 PolarHBondContact O-N 3.48Å; E323-K326 IonicContact OE1-NZ 3.76Å; E323-K326 PolarHBondContact OE1-NZ 2.78Å; E323-K326 IonicContact OE2-NZ 3.02Å; E323-I327 PolarHBondContact O-N 3.07Å; E323-I327 VanDerWaalsContact O-N 3.07Å
324Y83.7Confident86.5Confident10 Ų1056 Ų564%0.03930%0.302CS..Hα-helixtrans-72.4-28.5177.5-73.9-101.7000112W96 L281 D282 T317 R318 I321 G322 I327 K328W96-Y324 PolarHBondContact NE1-OH 3.38Å; L281-Y324 VanDerWaalsContact O-CD1 3.24Å; L281-Y324 WeakPolarHBondContact O-CD1 3.27Å; D282-Y324 HydrophobicContact CB-CE1 3.95Å; D282-Y324 VanDerWaalsContact CG-OH 3.24Å; D282-Y324 PolarHBondContact OD1-OH 2.88Å; D282-Y324 VanDerWaalsContact OD2-CE1 3.3Å; D282-Y324 WeakPolarHBondContact OD2-CE1 3.26Å; D282-Y324 PolarHBondContact OD2-OH 3.02Å; T317-Y324 HydrophobicContact CG2-CD1 3.92Å; T317-Y324 HydrophobicContact CG2-CE1 3.7Å; R318-Y324 HydrophobicContact CB-CD1 4.1Å; R318-Y324 HydrophobicContact CB-CD2 4.16Å; R318-Y324 HydrophobicContact CB-CE1 4.15Å; R318-Y324 HydrophobicContact CB-CE2 4.19Å; R318-Y324 HydrophobicContact CB-CG 4.13Å; R318-Y324 VanDerWaalsContact CD-CZ 3.48Å; R318-Y324 WeakPolarHBondContact CD-OH 3.29Å; R318-Y324 PolarHBondContact NH1-OH 3.31Å; I321-Y324 HydrophobicContact CB-CD2 3.7Å; I321-Y324 HydrophobicContact CB-CE2 4.33Å; I321-Y324 HydrophobicContact CD1-CD2 4.41Å; I321-Y324 HydrophobicContact CD1-CE2 4.24Å; I321-Y324 HydrophobicContact CG2-CD2 3.77Å; I321-Y324 HydrophobicContact CG2-CE2 4.2Å; I321-Y324 WeakPolarHBondContact O-CB 3.37Å; I321-Y324 PolarHBondContact O-N 3.34Å; G322-Y324 VanDerWaalsContact C-N 3.3Å; G322-Y324 PolarHBondContact O-N 3.25Å; Y324-I327 VanDerWaalsContact O-CG2 3.23Å; Y324-I327 WeakPolarHBondContact O-CG2 3.42Å; Y324-K328 WeakPolarHBondContact O-CB 3.48Å; Y324-K328 PolarHBondContact O-N 2.92Å
325Q86Confident86.6Confident86 Ų8656.9 Ų56.940%0.40231%0.307SS..Hα-helixtrans-71-41.7170.8-171.959.344.800111.1I321 G322 E323 I327 K328 D329I321-Q325 PolarHBondContact O-N 3.15Å; G322-Q325 PolarHBondContact O-N 3.02Å; E323-Q325 VanDerWaalsContact C-N 3.32Å; Q325-I327 PolarHBondContact O-N 2.69Å; Q325-K328 WeakPolarHBondContact O-CB 3.32Å; Q325-K328 PolarHBondContact O-N 3.48Å; Q325-D329 PolarHBondContact NE2-OD1 2.93Å; Q325-D329 VanDerWaalsContact O-CG 3.23Å; Q325-D329 PolarHBondContact O-N 2.92Å
326K88.6Confident87Confident111 Ų11156.9 Ų56.948%0.48332%0.317SS..Hα-helixtrans-60-44.5177.1-67.8175.4-172.8169.40112.3G322 E323 K328 D329 Q330G322-K326 PolarHBondContact O-N 3.17Å; G322-K326 VanDerWaalsContact O-N 3.13Å; E323-K326 PolarHBondContact O-N 3.48Å; E323-K326 IonicContact OE1-NZ 3.76Å; E323-K326 PolarHBondContact OE1-NZ 2.78Å; E323-K326 IonicContact OE2-NZ 3.02Å; K326-K328 VanDerWaalsContact C-N 3.3Å; K326-K328 PolarHBondContact O-N 2.91Å; K326-D329 PolarHBondContact O-N 2.73Å; K326-Q330 VanDerWaalsContact O-CG 3.32Å; K326-Q330 WeakPolarHBondContact O-CG 3.43Å; K326-Q330 PolarHBondContact O-N 3.41Å
327I89.9Confident87.5Confident15 Ų1558.2 Ų58.28%0.07732%0.315CS..Hα-helixtrans-66.1-35.6178.7-164.167.6000111.4L281 P288 E323 Y324 Q325 Q330 C331L281-I327 HydrophobicContact CG-CG2 4.35Å; P288-I327 HydrophobicContact CG-CD1 3.39Å; P288-I327 HydrophobicContact CG-CG1 4.37Å; E323-I327 PolarHBondContact O-N 3.07Å; E323-I327 VanDerWaalsContact O-N 3.07Å; Y324-I327 VanDerWaalsContact O-CG2 3.23Å; Y324-I327 WeakPolarHBondContact O-CG2 3.42Å; Q325-I327 PolarHBondContact O-N 2.69Å; I327-Q330 PolarHBondContact O-N 3.45Å; I327-C331 WeakPolarHBondContact O-CB 3.38Å; I327-C331 PolarHBondContact O-N 2.89Å; I327-C331 PolarHBondContact O-SG 2.89Å
328K92.6Very high88.3Confident54 Ų5457 Ų5724%0.23531%0.308CS..Hα-helixtrans-60.5-50.9173.5-175169.9-178.1172.80111.4L281 Y324 Q325 K326 Q330 C331 H332 D354L281-K328 HydrophobicContact CD2-CB 3.69Å; L281-K328 HydrophobicContact CD2-CD 3.97Å; L281-K328 HydrophobicContact CD2-CG 3.75Å; Y324-K328 WeakPolarHBondContact O-CB 3.48Å; Y324-K328 PolarHBondContact O-N 2.92Å; Q325-K328 WeakPolarHBondContact O-CB 3.32Å; Q325-K328 PolarHBondContact O-N 3.48Å; K326-K328 VanDerWaalsContact C-N 3.3Å; K326-K328 PolarHBondContact O-N 2.91Å; K328-Q330 VanDerWaalsContact C-N 3.3Å; K328-Q330 PolarHBondContact O-N 3.46Å; K328-C331 WeakPolarHBondContact O-CB 3.48Å; K328-C331 PolarHBondContact O-N 2.72Å; K328-C331 VanDerWaalsContact O-N 3.12Å; K328-H332 WeakPolarHBondContact CE-CE1 3.34Å; K328-H332 PolarHBondContact O-N 3.45Å; K328-D354 WeakPolarHBondContact CE-OD2 3.24Å; K328-D354 IonicContact NZ-OD2 3.52Å
329D93.9Very high89.4Confident85 Ų8557.5 Ų57.546%0.45531%0.312SS..Hα-helixtrans-60.5-41.6179.5-62.6-17.3000111.1Q325 K326 H332 Y333Q325-D329 PolarHBondContact NE2-OD1 2.93Å; Q325-D329 VanDerWaalsContact O-CG 3.23Å; Q325-D329 PolarHBondContact O-N 2.92Å; K326-D329 PolarHBondContact O-N 2.73Å; D329-H332 PolarHBondContact O-N 2.92Å; D329-Y333 VanDerWaalsContact O-CB 3.31Å; D329-Y333 WeakPolarHBondContact O-CB 3.43Å; D329-Y333 PolarHBondContact O-N 3.13Å
330Q94.9Very high90.7Very high99 Ų9955.4 Ų55.446%0.46332%0.317SS..Hα-helixtrans-61.4-45.2173.7-73.9177.1-0.900112.3K326 I327 K328 Y333 H334K326-Q330 VanDerWaalsContact O-CG 3.32Å; K326-Q330 WeakPolarHBondContact O-CG 3.43Å; K326-Q330 PolarHBondContact O-N 3.41Å; I327-Q330 PolarHBondContact O-N 3.45Å; K328-Q330 VanDerWaalsContact C-N 3.3Å; K328-Q330 PolarHBondContact O-N 3.46Å; Q330-Y333 PolarHBondContact O-N 3.49Å; Q330-H334 PolarHBondContact O-CD2 2.93Å; Q330-H334 PolarHBondContact O-N 3.32Å
331C95.9Very high92Very high0 Ų058.1 Ų58.10%030%0.304CS..Hα-helixtrans-60-48.7177.4-71.40000111Y291 I327 K328 Y333 H334 V335Y291-C331 HydrophobicContact CE2-CB 3.95Å; I327-C331 WeakPolarHBondContact O-CB 3.38Å; I327-C331 PolarHBondContact O-N 2.89Å; I327-C331 PolarHBondContact O-SG 2.89Å; K328-C331 WeakPolarHBondContact O-CB 3.48Å; K328-C331 PolarHBondContact O-N 2.72Å; K328-C331 VanDerWaalsContact O-N 3.12Å; C331-Y333 VanDerWaalsContact C-N 3.34Å; C331-Y333 PolarHBondContact O-N 3.48Å; C331-H334 PolarHBondContact O-N 3.41Å; C331-V335 VanDerWaalsContact O-CG2 3.25Å; C331-V335 WeakPolarHBondContact O-CG2 3.39Å; C331-V335 PolarHBondContact O-N 2.77Å
332H96.4Very high93Very high77 Ų7759 Ų5936%0.35631%0.308SS..Hα-helixtrans-62.6-40.7178.8-70.1-174.6000112.1K328 D329 V335 G336 H352 D354K328-H332 WeakPolarHBondContact CE-CE1 3.34Å; K328-H332 PolarHBondContact O-N 3.45Å; D329-H332 PolarHBondContact O-N 2.92Å; H332-V335 PolarHBondContact O-N 3.42Å; H332-G336 PolarHBondContact O-N 2.85Å; H332-H352 AromaticContact CD2-CD2 3.99Å; H332-H352 AromaticContact CD2-NE2 3.62Å; H332-H352 AromaticContact NE2-CD2 3.95Å; H332-H352 AromaticContact NE2-NE2 3.46Å; H332-H352 PolarHBondContact NE2-NE2 2.9Å; H332-D354 IonicContact CE1-OD2 2.64Å; H332-D354 PolarHBondContact CE1-OD2 3.34Å; H332-D354 IonicContact NE2-OD1 2.91Å; H332-D354 IonicContact NE2-OD2 3.65Å; H332-D354 PolarHBondContact NE2-OD2 3.1Å
333Y97.5Very high93.7Very high149 Ų14958.1 Ų58.158%0.58430%0.298SS*.Hα-helixtrans-57.9-49.8173.3172.3-95.7000111.9D329 Q330 C331 G336 R337D329-Y333 VanDerWaalsContact O-CB 3.31Å; D329-Y333 WeakPolarHBondContact O-CB 3.43Å; D329-Y333 PolarHBondContact O-N 3.13Å; Q330-Y333 PolarHBondContact O-N 3.49Å; C331-Y333 VanDerWaalsContact C-N 3.34Å; C331-Y333 PolarHBondContact O-N 3.48Å; Y333-G336 PolarHBondContact O-N 2.98Å; Y333-R337 VanDerWaalsContact O-CB 3.28Å; Y333-R337 WeakPolarHBondContact O-CB 3.44Å; Y333-R337 PolarHBondContact O-N 3.32Å
334H97.4Very high94.2Very high19 Ų1957.2 Ų57.29%0.08830%0.301CS..Hα-helixtrans-61.1-46.6178.5-82.9-68.8000112.1Y291 Q330 C331 R337 I338Y291-H334 HydrophobicContact CD2-CB 3.72Å; Y291-H334 HydrophobicContact CG-CB 4.16Å; Q330-H334 PolarHBondContact O-CD2 2.93Å; Q330-H334 PolarHBondContact O-N 3.32Å; C331-H334 PolarHBondContact O-N 3.41Å; H334-R337 PolarHBondContact ND1-NH2 3.35Å; H334-R337 PolarHBondContact O-N 3.48Å; H334-I338 WeakPolarHBondContact O-CB 3.22Å; H334-I338 WeakPolarHBondContact O-CD1 3.22Å; H334-I338 VanDerWaalsContact O-CG1 3.22Å; H334-I338 WeakPolarHBondContact O-CG1 3.34Å; H334-I338 PolarHBondContact O-N 3.41Å
335V98Very high94.5Very high18 Ų1865.8 Ų65.811%0.10935%0.345CS..Hα-helixtrans-59.9-50.1178.4173.30000110.8Y291 C331 H332 R337 I338 N339 I350 H352Y291-V335 HydrophobicContact CD2-CG2 4.34Å; Y291-V335 HydrophobicContact CE1-CG2 4.22Å; Y291-V335 HydrophobicContact CE2-CG2 3.73Å; C331-V335 VanDerWaalsContact O-CG2 3.25Å; C331-V335 WeakPolarHBondContact O-CG2 3.39Å; C331-V335 PolarHBondContact O-N 2.77Å; H332-V335 PolarHBondContact O-N 3.42Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 3.27Å; V335-I338 PolarHBondContact O-N 3.4Å; V335-N339 VanDerWaalsContact O-CB 3.27Å; V335-N339 WeakPolarHBondContact O-CB 3.25Å; V335-N339 PolarHBondContact O-N 3.2Å; V335-I350 HydrophobicContact CG1-CG2 4.3Å; V335-I350 HydrophobicContact CG2-CG2 4.12Å; V335-H352 HydrophobicContact CG1-CB 4.09Å; V335-H352 HydrophobicContact CG2-CB 3.77Å
336G97.5Very high94.5Very high48 Ų4867 Ų6750%0.49536%0.364SS..Hα-helixtrans-60.2-43.8179.700000112.3H332 Y333 G340H332-G336 PolarHBondContact O-N 2.85Å; Y333-G336 PolarHBondContact O-N 2.98Å; G336-G340 PolarHBondContact O-N 2.96Å
337R97.6Very high94.5Very high79 Ų7963.2 Ų63.230%0.29835%0.351SS..Hα-helixtrans-65.1-46.5178.7-172.6174.863.275.53.5112.7E295 Y333 H334 V335 R341E295-R337 IonicContact OE1-CZ 2.77Å; E295-R337 IonicContact OE1-NH1 3.35Å; E295-R337 PolarHBondContact OE1-NH1 3.41Å; E295-R337 IonicContact OE1-NH2 3.83Å; E295-R337 IonicContact OE2-CZ 3.76Å; E295-R337 IonicContact OE2-NH1 2.93Å; E295-R337 PolarHBondContact OE2-NH1 3.34Å; E295-R337 IonicContact OE2-NH2 2.52Å; E295-R337 PolarHBondContact OE2-NH2 2.96Å; Y333-R337 VanDerWaalsContact O-CB 3.28Å; Y333-R337 WeakPolarHBondContact O-CB 3.44Å; Y333-R337 PolarHBondContact O-N 3.32Å; H334-R337 PolarHBondContact ND1-NH2 3.35Å; H334-R337 PolarHBondContact O-N 3.48Å; V335-R337 VanDerWaalsContact C-N 3.35Å; V335-R337 PolarHBondContact O-N 3.27Å; R337-R341 WeakPolarHBondContact O-CB 3.46Å; R337-R341 PolarHBondContact O-N 3.04Å; R337-R341 VanDerWaalsContact O-N 3.1Å
338I97.8Very high94.8Very high0 Ų065.3 Ų65.30%036%0.364CS..Hα-helixtrans-70.1-44.7-178.2-64.3164.5000110.6Y291 E295 L298 H334 V335 G340 R341 F342 P349 I350Y291-I338 WeakPolarHBondContact O-CD1 3.3Å; E295-I338 HydrophobicContact CB-CD1 3.83Å; E295-I338 HydrophobicContact CB-CG1 3.93Å; E295-I338 HydrophobicContact CG-CG1 4.12Å; L298-I338 HydrophobicContact CD1-CG2 4.41Å; H334-I338 WeakPolarHBondContact O-CB 3.22Å; H334-I338 WeakPolarHBondContact O-CD1 3.22Å; H334-I338 VanDerWaalsContact O-CG1 3.22Å; H334-I338 WeakPolarHBondContact O-CG1 3.34Å; H334-I338 PolarHBondContact O-N 3.41Å; V335-I338 PolarHBondContact O-N 3.4Å; I338-G340 VanDerWaalsContact C-N 3.33Å; I338-G340 PolarHBondContact O-N 2.93Å; I338-R341 PolarHBondContact O-N 2.94Å; I338-F342 HydrophobicContact CG2-CD2 4.04Å; I338-F342 PolarHBondContact O-N 2.78Å; I338-P349 HydrophobicContact CG2-CG 4.12Å; I338-I350 HydrophobicContact CB-CD1 3.87Å; I338-I350 HydrophobicContact CD1-CD1 3.65Å; I338-I350 HydrophobicContact CG1-CD1 4.38Å; I338-I350 HydrophobicContact CG2-CD1 3.69Å; I338-I350 HydrophobicContact CG2-CG1 4.16Å
339N97.7Very high95Very high31 Ų3163.2 Ų63.217%0.16636%0.356CS..Hα-helixtrans-63-40176.3-76.7-14.5000111.7V335 R341 G343 V348 P349 I350V335-N339 VanDerWaalsContact O-CB 3.27Å; V335-N339 WeakPolarHBondContact O-CB 3.25Å; V335-N339 PolarHBondContact O-N 3.2Å; N339-R341 VanDerWaalsContact C-N 3.28Å; N339-R341 PolarHBondContact O-N 2.84Å; N339-G343 WeakPolarHBondContact O-CA 3.45Å; N339-G343 PolarHBondContact O-N 3.11Å; N339-V348 HydrophobicContact CB-CG1 4.4Å; N339-P349 WeakPolarHBondContact OD1-CD 3.37Å; N339-P349 VanDerWaalsContact OD1-CG 3.3Å; N339-P349 WeakPolarHBondContact OD1-CG 3.34Å; N339-I350 PolarHBondContact ND2-O 2.84Å; N339-I350 WeakPolarHBondContact OD1-CB 3.36Å; N339-I350 PolarHBondContact OD1-N 2.85Å; N339-I350 PolarHBondContact OD1-O 3.48Å
340G96.6Very high95.2Very high68 Ų6859.2 Ų59.270%0.70134%0.335SS*.Hα-helixtrans-65.6-28.8175.700000113.9G336 I338G336-G340 PolarHBondContact O-N 2.96Å; I338-G340 VanDerWaalsContact C-N 3.33Å; I338-G340 PolarHBondContact O-N 2.93Å
341R96.2Very high95.3Very high132 Ų13257 Ų5750%0.49833%0.325SS..Hα-helixtrans-90.4-39.2-177.3-176.7175.2171.2-158.50.3114.2E295 E299 R337 I338 N339E295-R341 IonicContact OE1-CZ 3.38Å; E295-R341 IonicContact OE1-NH1 3.06Å; E295-R341 PolarHBondContact OE1-NH1 2.95Å; E299-R341 IonicContact OE1-CZ 2.64Å; E299-R341 IonicContact OE1-NH1 3.61Å; E299-R341 PolarHBondContact OE1-NH1 3.34Å; E299-R341 IonicContact OE1-NH2 3.89Å; E299-R341 PolarHBondContact OE1-NH2 2.77Å; R337-R341 WeakPolarHBondContact O-CB 3.46Å; R337-R341 PolarHBondContact O-N 3.04Å; R337-R341 VanDerWaalsContact O-N 3.1Å; I338-R341 PolarHBondContact O-N 2.94Å; N339-R341 VanDerWaalsContact C-N 3.28Å; N339-R341 PolarHBondContact O-N 2.84Å
342F96.4Very high95.3Very high29 Ų2958.5 Ų58.513%0.12733%0.332CS..Hα-helixtrans-115.7-6.4-173.7-61.4-82.7000113.9E295 L298 E299 R305 I338 P349E295-F342 HydrophobicContact CG-CE2 3.79Å; E295-F342 HydrophobicContact CG-CZ 4.41Å; L298-F342 HydrophobicContact CB-CD1 4.06Å; L298-F342 HydrophobicContact CB-CE1 4.05Å; L298-F342 HydrophobicContact CB-CG 4.32Å; L298-F342 HydrophobicContact CB-CZ 4.31Å; L298-F342 HydrophobicContact CD1-CB 4.17Å; L298-F342 HydrophobicContact CD1-CD2 4.32Å; L298-F342 HydrophobicContact CD1-CG 4.13Å; E299-F342 HydrophobicContact CG-CE1 4.47Å; E299-F342 HydrophobicContact CG-CZ 3.7Å; R305-F342 HydrophobicContact CG-CD1 4.42Å; I338-F342 HydrophobicContact CG2-CD2 4.04Å; I338-F342 PolarHBondContact O-N 2.78Å; F342-P349 HydrophobicContact CB-CG 4.08Å
343G94Very high95.4Very high30 Ų3057.8 Ų57.831%0.30933%0.331SS..  trans-75.8164.6173.600000113.1N339 S347N339-G343 WeakPolarHBondContact O-CA 3.45Å; N339-G343 PolarHBondContact O-N 3.11Å; G343-S347 CarbonylContact C-O 3.59Å; G343-S347 WeakPolarHBondContact CA-O 3.48Å
344S89.9Confident95.1Very high61 Ų6153.1 Ų53.143%0.42732%0.316SS..BIsolated β-bridgetrans-125.4173.8171.170.40000109.5S346 S347S344-S346 PolarHBondContact O-N 3.18Å; S344-S346 PolarHBondContact OG-N 2.67Å; S344-S346 PolarHBondContact OG-OG 3.42Å; S344-S347 PolarHBondContact N-O 3.28Å; S344-S347 PolarHBondContact O-N 3.04Å; S344-S347 VanDerWaalsContact O-O 3.07Å; S344-S347 PolarHBondContact OG-N 2.78Å; S344-S347 VanDerWaalsContact OG-N 3.14Å; S344-S347 PolarHBondContact OG-OG 3.22Å; S344-S347 VanDerWaalsContact OG-OG 3.09Å
345I90Very high94.9Very high190 Ų19054.4 Ų54.497%0.97433%0.326SS*.THydrogen-bonded Turntrans-56.6-33.5175.1-62.5171.3000111.5
346S86.2Confident94.3Very high113 Ų11358 Ų5879%0.7935%0.353SS*.THydrogen-bonded Turntrans-97.4-13-174.956.10000114.5S344S344-S346 PolarHBondContact O-N 3.18Å; S344-S346 PolarHBondContact OG-N 2.67Å; S344-S346 PolarHBondContact OG-OG 3.42Å
347S88.5Confident94Very high31 Ų3157.8 Ų57.822%0.21734%0.34CS..BIsolated β-bridgetrans-154.5142.4-174.476.10000113G343 S344G343-S347 CarbonylContact C-O 3.59Å; G343-S347 WeakPolarHBondContact CA-O 3.48Å; S344-S347 PolarHBondContact N-O 3.28Å; S344-S347 PolarHBondContact O-N 3.04Å; S344-S347 VanDerWaalsContact O-O 3.07Å; S344-S347 PolarHBondContact OG-N 2.78Å; S344-S347 VanDerWaalsContact OG-N 3.14Å; S344-S347 PolarHBondContact OG-OG 3.22Å; S344-S347 VanDerWaalsContact OG-OG 3.09Å
348V95Very high93.6Very high59 Ų5958.2 Ų58.236%0.35835%0.348SS..  trans-112.1143.7169.8-67.50000110.3R272 N339 I351R272-V348 PolarHBondContact NH1-O 2.75Å; N339-V348 HydrophobicContact CB-CG1 4.4Å; V348-I351 HydrophobicContact CG2-CG1 4.11Å
349P96.8Very high93.3Very high10 Ų1060.2 Ų60.27%0.06536%0.357CS..SBendtrans-74.5-26.817731.1-38.2000112.7F294 L298 M309 L310 I338 N339 F342F294-P349 HydrophobicContact CE1-CB 4.04Å; F294-P349 HydrophobicContact CZ-CB 4.45Å; L298-P349 HydrophobicContact CD1-CB 3.91Å; M309-P349 CarbonylContact C-O 3.49Å; M309-P349 VanDerWaalsContact CA-O 3.3Å; M309-P349 WeakPolarHBondContact CA-O 3.5Å; L310-P349 PolarHBondContact N-O 3.16Å; I338-P349 HydrophobicContact CG2-CG 4.12Å; N339-P349 WeakPolarHBondContact OD1-CD 3.37Å; N339-P349 VanDerWaalsContact OD1-CG 3.3Å; N339-P349 WeakPolarHBondContact OD1-CG 3.34Å; F342-P349 HydrophobicContact CB-CG 4.08Å
350I98.2Very high93.1Very high1 Ų160.2 Ų60.21%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-123128.7179-53.6-179.8000110.8Y291 F294 L310 V335 I338 N339Y291-I350 HydrophobicContact CD1-CD1 3.93Å; Y291-I350 HydrophobicContact CE1-CD1 4.39Å; Y291-I350 HydrophobicContact CE1-CG2 4.06Å; F294-I350 HydrophobicContact CD1-CD1 3.95Å; F294-I350 HydrophobicContact CD1-CG1 3.81Å; F294-I350 HydrophobicContact CE1-CD1 4.36Å; F294-I350 HydrophobicContact CE1-CG1 3.72Å; L310-I350 HydrophobicContact CB-CG1 4.33Å; L310-I350 HydrophobicContact CD2-CD1 4.45Å; L310-I350 HydrophobicContact CD2-CG1 4.45Å; L310-I350 CarbonylContact O-C 3.51Å; L310-I350 VanDerWaalsContact O-CA 3.31Å; L310-I350 WeakPolarHBondContact O-CA 3.21Å; V335-I350 HydrophobicContact CG1-CG2 4.3Å; V335-I350 HydrophobicContact CG2-CG2 4.12Å; I338-I350 HydrophobicContact CB-CD1 3.87Å; I338-I350 HydrophobicContact CD1-CD1 3.65Å; I338-I350 HydrophobicContact CG1-CD1 4.38Å; I338-I350 HydrophobicContact CG2-CD1 3.69Å; I338-I350 HydrophobicContact CG2-CG1 4.16Å; N339-I350 PolarHBondContact ND2-O 2.84Å; N339-I350 WeakPolarHBondContact OD1-CB 3.36Å; N339-I350 PolarHBondContact OD1-N 2.85Å; N339-I350 PolarHBondContact OD1-O 3.48Å
351I97.3Very high93Very high51 Ų5159.7 Ų59.726%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-108.3118163.9-58.2-177.3000107.4M309 L310 L311 Q312 V348 L353M309-I351 HydrophobicContact CE-CD1 3.44Å; M309-I351 VanDerWaalsContact CE-CD1 3.44Å; M309-I351 HydrophobicContact CE-CG1 4Å; L310-I351 PolarHBondContact O-N 3.44Å; L311-I351 CarbonylContact C-O 3.58Å; L311-I351 WeakPolarHBondContact CA-O 3.48Å; L311-I351 HydrophobicContact CD1-CB 3.77Å; L311-I351 HydrophobicContact CD1-CG2 3.63Å; Q312-I351 PolarHBondContact N-O 2.76Å; V348-I351 HydrophobicContact CG2-CG1 4.11Å; I351-L353 HydrophobicContact CG2-CD2 4.08Å; I351-L353 HydrophobicContact CG2-CG 4.18Å
352H97.5Very high93Very high32 Ų3254.6 Ų54.615%0.14832%0.319CS..EExtended strand (participates in β ladder)trans-113.9127.8178172.795.9000109.4Y291 Q312 H332 V335 D354Y291-H352 PolarHBondContact OH-ND1 3.12Å; Q312-H352 WeakPolarHBondContact O-CA 3.46Å; H332-H352 AromaticContact CD2-CD2 3.99Å; H332-H352 AromaticContact CD2-NE2 3.62Å; H332-H352 AromaticContact NE2-CD2 3.95Å; H332-H352 AromaticContact NE2-NE2 3.46Å; H332-H352 PolarHBondContact NE2-NE2 2.9Å; V335-H352 HydrophobicContact CG1-CB 4.09Å; V335-H352 HydrophobicContact CG2-CB 3.77Å; H352-D354 IonicContact CE1-OD1 3.59Å; H352-D354 IonicContact NE2-OD1 3.14Å; H352-D354 PolarHBondContact NE2-OD1 2.81Å; H352-D354 IonicContact NE2-OD2 3.38Å
353L96.8Very high92.9Very high62 Ų6253.2 Ų53.233%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-123.6113.1-178.2-57.7178.9000110.4L311 Q312 A314 I351 C355 I357L311-L353 HydrophobicContact CD1-CD1 4.09Å; L311-L353 HydrophobicContact CD1-CG 4.4Å; Q312-L353 PolarHBondContact O-N 2.88Å; A314-L353 PolarHBondContact N-O 3.49Å; I351-L353 HydrophobicContact CG2-CD2 4.08Å; I351-L353 HydrophobicContact CG2-CG 4.18Å; L353-C355 PolarHBondContact O-N 2.73Å; L353-I357 HydrophobicContact CD1-CD1 4.29Å
354D92.8Very high93Very high52 Ų5251.8 Ų51.828%0.27830%0.298SS..  trans-80.659.7172.4-80.6-36.2000111.1A314 K328 H332 H352A314-D354 CarbonylContact O-C 3.57Å; A314-D354 WeakPolarHBondContact O-CA 3.49Å; K328-D354 WeakPolarHBondContact CE-OD2 3.24Å; K328-D354 IonicContact NZ-OD2 3.52Å; H332-D354 IonicContact CE1-OD2 2.64Å; H332-D354 PolarHBondContact CE1-OD2 3.34Å; H332-D354 IonicContact NE2-OD1 2.91Å; H332-D354 IonicContact NE2-OD2 3.65Å; H332-D354 PolarHBondContact NE2-OD2 3.1Å; H352-D354 IonicContact CE1-OD1 3.59Å; H352-D354 IonicContact NE2-OD1 3.14Å; H352-D354 PolarHBondContact NE2-OD1 2.81Å; H352-D354 IonicContact NE2-OD2 3.38Å
355C91.6Very high93.4Very high45 Ų4549.3 Ų49.330%0.30428%0.28SS..SBendtrans-150.7167.2-177.366.60000113.4A314 L353A314-C355 PolarHBondContact O-N 2.77Å; L353-C355 PolarHBondContact O-N 2.73Å
356S86.4Confident93.7Very high94 Ų9440.3 Ų40.366%0.65723%0.233SC*.  trans-82.8147.515951.90000109.9
357I90Very high94.2Very high44 Ų4435.1 Ų35.123%0.22620%0.198CC..  trans-111.4143.5175.2-62.4-62.2000108.4I313 L353 Q361 L362I313-I357 HydrophobicContact CD1-CB 4.39Å; I313-I357 HydrophobicContact CD1-CG1 3.71Å; I313-I357 HydrophobicContact CG1-CG1 4.01Å; I313-I357 HydrophobicContact CG2-CG1 3.92Å; L353-I357 HydrophobicContact CD1-CD1 4.29Å; I357-Q361 HydrophobicContact CG2-CB 3.64Å; I357-L362 HydrophobicContact CG2-CB 4.27Å
358D90.9Very high94.6Very high88 Ų8834.1 Ų34.147%0.47119%0.19SC..  trans-58.7146.4175.2177-97.7000111.3N360 Q361 L362D358-N360 VanDerWaalsContact C-N 3.33Å; D358-N360 PolarHBondContact O-N 3.38Å; D358-N360 WeakPolarHBondContact OD1-CB 3.42Å; D358-N360 PolarHBondContact OD1-N 3.18Å; D358-Q361 HydrophobicContact CB-CB 4.42Å; D358-Q361 HydrophobicContact CB-CG 4.31Å; D358-Q361 PolarHBondContact O-N 3.31Å; D358-L362 WeakPolarHBondContact O-CB 3.49Å; D358-L362 PolarHBondContact O-N 3.44Å
359F89.9Confident94.7Very high41 Ų4131.3 Ų31.318%0.1817%0.173CC..Hα-helixtrans-58.7-41.2-174.7-177.3-106.2000113R248 F249 T252 L362 C363R248-F359 HydrophobicContact CG-CE1 4.31Å; R248-F359 HydrophobicContact CG-CZ 4.02Å; F249-F359 HydrophobicContact CD1-CE2 4.18Å; F249-F359 HydrophobicContact CD1-CZ 4.1Å; F249-F359 AromaticContact CE1-CE2 3.57Å; F249-F359 HydrophobicContact CE1-CE2 3.57Å; F249-F359 AromaticContact CE1-CZ 3.93Å; F249-F359 HydrophobicContact CE1-CZ 3.93Å; F249-F359 AromaticContact CZ-CE2 3.84Å; F249-F359 HydrophobicContact CZ-CE2 3.84Å; F249-F359 HydrophobicContact CZ-CZ 4.24Å; T252-F359 HydrophobicContact CG2-CD1 4.12Å; T252-F359 HydrophobicContact CG2-CE1 3.81Å; F359-L362 PolarHBondContact O-N 3.21Å; F359-C363 PolarHBondContact O-N 3.48Å; F359-C363 PolarHBondContact O-SG 3.38Å
360N94.2Very high94.8Very high32 Ų3231.6 Ų31.617%0.17117%0.173CC..Hα-helixtrans-68.6-39.8-179.7-73.1-0.6000110.9T252 E257 V258 D358 C363 A364T252-N360 WeakPolarHBondContact CG2-OD1 3.32Å; E257-N360 PolarHBondContact OE2-ND2 3.39Å; V258-N360 HydrophobicContact CG2-CB 3.73Å; D358-N360 VanDerWaalsContact C-N 3.33Å; D358-N360 PolarHBondContact O-N 3.38Å; D358-N360 WeakPolarHBondContact OD1-CB 3.42Å; D358-N360 PolarHBondContact OD1-N 3.18Å; N360-C363 PolarHBondContact O-N 3.5Å; N360-A364 PolarHBondContact O-N 3.25Å
361Q95.5Very high94.8Very high57 Ų5731.6 Ų31.627%0.26617%0.174SC..Hα-helixtrans-66.3-40.3174.7-67.8-179.3-11.800111.9Y261 F265 I357 D358 A364 L365Y261-Q361 HydrophobicContact CD1-CG 4.24Å; Y261-Q361 HydrophobicContact CD2-CG 4.02Å; Y261-Q361 HydrophobicContact CE1-CG 4.05Å; Y261-Q361 HydrophobicContact CE2-CG 3.77Å; Y261-Q361 HydrophobicContact CG-CG 4.25Å; Y261-Q361 PolarHBondContact OH-NE2 3.36Å; F265-Q361 HydrophobicContact CZ-CB 4.28Å; F265-Q361 HydrophobicContact CZ-CG 4.38Å; I357-Q361 HydrophobicContact CG2-CB 3.64Å; D358-Q361 HydrophobicContact CB-CB 4.42Å; D358-Q361 HydrophobicContact CB-CG 4.31Å; D358-Q361 PolarHBondContact O-N 3.31Å; Q361-A364 WeakPolarHBondContact O-CB 3.35Å; Q361-A364 PolarHBondContact O-N 2.93Å; Q361-L365 WeakPolarHBondContact O-CG 3.47Å; Q361-L365 PolarHBondContact O-N 3.15Å
362L94.4Very high94.9Very high25 Ų2529.2 Ų29.213%0.13116%0.161CC..Hα-helixtrans-63.8-43.5176.9-177.762000111.3V278 I313 I357 D358 F359 A364 L365 Y366V278-L362 HydrophobicContact CG1-CD1 4.22Å; V278-L362 HydrophobicContact CG2-CD1 4.06Å; I313-L362 HydrophobicContact CD1-CD1 4.13Å; I357-L362 HydrophobicContact CG2-CB 4.27Å; D358-L362 WeakPolarHBondContact O-CB 3.49Å; D358-L362 PolarHBondContact O-N 3.44Å; F359-L362 PolarHBondContact O-N 3.21Å; L362-A364 VanDerWaalsContact C-N 3.33Å; L362-A364 PolarHBondContact O-N 3.44Å; L362-L365 PolarHBondContact O-N 3.23Å; L362-Y366 HydrophobicContact CD1-CD2 4.45Å; L362-Y366 HydrophobicContact CD1-CE1 4.26Å; L362-Y366 HydrophobicContact CD1-CE2 3.97Å; L362-Y366 HydrophobicContact CD2-CE2 3.92Å; L362-Y366 HydrophobicContact CG-CD2 4.05Å; L362-Y366 HydrophobicContact CG-CE2 3.58Å; L362-Y366 WeakPolarHBondContact O-CD2 3.38Å; L362-Y366 PolarHBondContact O-N 3.33Å
363C95.3Very high94.9Very high0 Ų027.7 Ų27.70%016%0.155CC..Hα-helixtrans-61.5-41.5174.5-66.70000111.8T252 V258 F359 N360 Y366 A367T252-C363 HydrophobicContact CG2-CB 3.89Å; V258-C363 HydrophobicContact CG1-CB 4.4Å; F359-C363 PolarHBondContact O-N 3.48Å; F359-C363 PolarHBondContact O-SG 3.38Å; N360-C363 PolarHBondContact O-N 3.5Å; C363-Y366 PolarHBondContact O-N 3.45Å; C363-A367 WeakPolarHBondContact O-CB 3.27Å; C363-A367 PolarHBondContact O-N 3.08Å
364A96.9Very high95Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-60.9-43.4174.200000111.9V258 M262 F265 N360 Q361 L362 A367 I368V258-A364 HydrophobicContact CG1-CB 3.9Å; M262-A364 HydrophobicContact CG-CB 3.8Å; F265-A364 HydrophobicContact CD2-CB 4.06Å; F265-A364 HydrophobicContact CE2-CB 3.85Å; N360-A364 PolarHBondContact O-N 3.25Å; Q361-A364 WeakPolarHBondContact O-CB 3.35Å; Q361-A364 PolarHBondContact O-N 2.93Å; L362-A364 VanDerWaalsContact C-N 3.33Å; L362-A364 PolarHBondContact O-N 3.44Å; A364-A367 PolarHBondContact O-N 3.47Å; A364-I368 WeakPolarHBondContact O-CG1 3.35Å; A364-I368 PolarHBondContact O-N 2.78Å
365L96.8Very high95.3Very high9 Ų922.4 Ų22.45%0.04713%0.126CC..Hα-helixtrans-62.6-48.1175.9-73.4173.5000111.5F265 F269 L276 L311 I313 Q361 L362 A367 I368 T369F265-L365 HydrophobicContact CD2-CD2 3.66Å; F265-L365 HydrophobicContact CD2-CG 4.03Å; F265-L365 HydrophobicContact CE2-CD2 3.85Å; F265-L365 HydrophobicContact CE2-CG 3.78Å; F265-L365 HydrophobicContact CG-CD2 4.16Å; F269-L365 HydrophobicContact CE2-CD2 4.11Å; F269-L365 HydrophobicContact CZ-CD2 4.14Å; L276-L365 HydrophobicContact CD2-CB 4.46Å; L311-L365 HydrophobicContact CD2-CD1 4.02Å; L311-L365 HydrophobicContact CD2-CD2 3.76Å; I313-L365 HydrophobicContact CD1-CD1 3.77Å; Q361-L365 WeakPolarHBondContact O-CG 3.47Å; Q361-L365 PolarHBondContact O-N 3.15Å; L362-L365 PolarHBondContact O-N 3.23Å; L365-A367 VanDerWaalsContact C-N 3.27Å; L365-A367 PolarHBondContact O-N 2.74Å; L365-I368 WeakPolarHBondContact O-CG1 3.33Å; L365-I368 PolarHBondContact O-N 2.88Å; L365-T369 WeakPolarHBondContact O-CB 3.36Å; L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 VanDerWaalsContact O-N 3.14Å; L365-T369 PolarHBondContact O-OG1 3.32Å
366Y97.4Very high95.5Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-56.2-43.3176.2-73.5-40.8000111.7L276 V278 L362 C363 I368 T369 L372 V384 E387 F388 Q392L276-Y366 HydrophobicContact CD2-CD1 3.55Å; L276-Y366 HydrophobicContact CD2-CE1 3.83Å; V278-Y366 HydrophobicContact CG2-CE1 3.9Å; L362-Y366 HydrophobicContact CD1-CD2 4.45Å; L362-Y366 HydrophobicContact CD1-CE1 4.26Å; L362-Y366 HydrophobicContact CD1-CE2 3.97Å; L362-Y366 HydrophobicContact CD2-CE2 3.92Å; L362-Y366 HydrophobicContact CG-CD2 4.05Å; L362-Y366 HydrophobicContact CG-CE2 3.58Å; L362-Y366 WeakPolarHBondContact O-CD2 3.38Å; L362-Y366 PolarHBondContact O-N 3.33Å; C363-Y366 PolarHBondContact O-N 3.45Å; Y366-I368 VanDerWaalsContact C-N 3.34Å; Y366-I368 PolarHBondContact O-N 3.01Å; Y366-T369 PolarHBondContact O-N 3.4Å; Y366-L372 HydrophobicContact CE1-CD1 4.28Å; Y366-V384 HydrophobicContact CE1-CG1 4.22Å; Y366-E387 HydrophobicContact CD2-CB 4.27Å; Y366-E387 HydrophobicContact CE2-CB 3.61Å; Y366-E387 WeakPolarHBondContact CE2-OE2 3.38Å; Y366-E387 PolarHBondContact OH-OE2 2.98Å; Y366-F388 HydrophobicContact CD1-CB 4.03Å; Y366-F388 HydrophobicContact CD1-CD2 4.24Å; Y366-F388 HydrophobicContact CE1-CB 4.35Å; Y366-Q392 PolarHBondContact O-NE2 3.03Å
367A97Very high96Very high5 Ų516.7 Ų16.74%0.0419%0.086CC..Hα-helixtrans-68.7-25.6-175.800000114.6M262 C363 A364 L365 C391 E395M262-A367 HydrophobicContact CE-CB 3.62Å; M262-A367 HydrophobicContact CG-CB 4.46Å; M262-A367 HydrophobicContact SD-CB 4Å; C363-A367 WeakPolarHBondContact O-CB 3.27Å; C363-A367 PolarHBondContact O-N 3.08Å; A364-A367 PolarHBondContact O-N 3.47Å; L365-A367 VanDerWaalsContact C-N 3.27Å; L365-A367 PolarHBondContact O-N 2.74Å; A367-C391 HydrophobicContact CB-CB 4.33Å; A367-E395 VanDerWaalsContact O-CG 3.3Å; A367-E395 WeakPolarHBondContact O-CG 3.36Å
368I96.5Very high96.2Very high9 Ų917 Ų175%0.0468%0.084CC..Hα-helixtrans-101.8-6.1-179.969.8168.5000113.9M262 F265 K266 F269 L274 A364 L365 Y366M262-I368 HydrophobicContact CB-CG2 3.76Å; M262-I368 HydrophobicContact CE-CG2 3.89Å; M262-I368 HydrophobicContact CG-CG2 3.85Å; F265-I368 HydrophobicContact CB-CD1 3.38Å; F265-I368 HydrophobicContact CD2-CD1 4.33Å; F265-I368 HydrophobicContact CG-CD1 4.35Å; K266-I368 HydrophobicContact CD-CG2 4.32Å; K266-I368 HydrophobicContact CG-CB 4.32Å; K266-I368 HydrophobicContact CG-CD1 4.34Å; K266-I368 HydrophobicContact CG-CG2 4.11Å; F269-I368 HydrophobicContact CD2-CD1 4.11Å; F269-I368 HydrophobicContact CE2-CD1 3.93Å; L274-I368 HydrophobicContact CD2-CD1 4.33Å; L274-I368 HydrophobicContact CD2-CG1 4.15Å; A364-I368 WeakPolarHBondContact O-CG1 3.35Å; A364-I368 PolarHBondContact O-N 2.78Å; L365-I368 WeakPolarHBondContact O-CG1 3.33Å; L365-I368 PolarHBondContact O-N 2.88Å; Y366-I368 VanDerWaalsContact C-N 3.34Å; Y366-I368 PolarHBondContact O-N 3.01Å
369T97.7Very high96.3Very high0 Ų013.3 Ų13.30%06%0.064CC..  trans-71.3133.2-176.2-71.70000110.6L276 L365 Y366 V371 F388 Q392L276-T369 HydrophobicContact CB-CG2 3.49Å; L276-T369 VanDerWaalsContact CB-CG2 3.49Å; L276-T369 HydrophobicContact CD2-CG2 4.45Å; L276-T369 WeakPolarHBondContact CD2-OG1 3.21Å; L365-T369 WeakPolarHBondContact O-CB 3.36Å; L365-T369 PolarHBondContact O-N 3.15Å; L365-T369 VanDerWaalsContact O-N 3.14Å; L365-T369 PolarHBondContact O-OG1 3.32Å; Y366-T369 PolarHBondContact O-N 3.4Å; T369-V371 VanDerWaalsContact CG2-C 3.47Å; T369-V371 WeakPolarHBondContact CG2-O 3.09Å; T369-F388 HydrophobicContact CG2-CD2 4.41Å; T369-F388 HydrophobicContact CG2-CE2 3.69Å; T369-F388 HydrophobicContact CG2-CZ 4.48Å; T369-Q392 PolarHBondContact O-NE2 2.92Å
370D98.1Very high96.4Very high16 Ų1611.4 Ų11.49%0.0866%0.056CC..SBendtrans-81.3-37.5176.6-65.4-89.2000112.3K273 L274 G397 V398K273-D370 VanDerWaalsContact CA-OD2 3.29Å; K273-D370 WeakPolarHBondContact CA-OD2 3.31Å; K273-D370 HydrophobicContact CD-CB 4.12Å; K273-D370 WeakPolarHBondContact CD-OD1 3.13Å; K273-D370 VanDerWaalsContact CD-OD2 3.3Å; K273-D370 WeakPolarHBondContact CD-OD2 3.26Å; K273-D370 WeakPolarHBondContact CE-OD1 3.39Å; K273-D370 IonicContact NZ-OD1 2.8Å; K273-D370 PolarHBondContact NZ-OD1 2.82Å; L274-D370 PolarHBondContact N-OD2 3.46Å; L274-D370 PolarHBondContact O-N 2.64Å; D370-G397 CarbonylContact O-C 3.52Å; D370-G397 WeakPolarHBondContact O-CA 3.31Å; D370-V398 PolarHBondContact O-N 2.79Å
371V98.6Very high96.2Very high1 Ų110.9 Ų10.91%0.0065%0.053CC..EExtended strand (participates in β ladder)trans-138.4123-178.6-1760000110.3L274 I275 L276 T369 V398 I400 A433 L434L274-V371 PolarHBondContact O-N 3.42Å; L274-V371 VanDerWaalsContact O-N 3.12Å; I275-V371 CarbonylContact C-O 3.53Å; I275-V371 VanDerWaalsContact CA-O 3.26Å; I275-V371 WeakPolarHBondContact CA-O 3.42Å; I275-V371 HydrophobicContact CG1-CB 4.22Å; I275-V371 HydrophobicContact CG2-CB 4.37Å; I275-V371 HydrophobicContact CG2-CG1 4.43Å; L276-V371 PolarHBondContact N-O 2.96Å; T369-V371 VanDerWaalsContact CG2-C 3.47Å; T369-V371 WeakPolarHBondContact CG2-O 3.09Å; V371-V398 CarbonylContact C-O 3.25Å; V371-V398 VanDerWaalsContact CA-O 3.27Å; V371-V398 WeakPolarHBondContact CA-O 3.45Å; V371-I400 HydrophobicContact CG1-CD1 3.63Å; V371-I400 HydrophobicContact CG1-CG1 3.91Å; V371-A433 HydrophobicContact CG1-CB 3.99Å; V371-A433 HydrophobicContact CG2-CB 3.78Å; V371-L434 HydrophobicContact CG2-CD2 3.91Å; V371-L434 HydrophobicContact CG2-CG 4.37Å
372L98.6Very high96.1Very high1 Ų18.4 Ų8.41%0.0054%0.042CC..EExtended strand (participates in β ladder)trans-91.1128.2165.7-171.977.3000109L276 Y366 V374 V384 F388 V398 L399 I400L276-L372 HydrophobicContact CB-CD1 4.16Å; L276-L372 HydrophobicContact CD2-CD1 4.12Å; L276-L372 HydrophobicContact CG-CD1 4.2Å; Y366-L372 HydrophobicContact CE1-CD1 4.28Å; L372-V374 HydrophobicContact CD2-CG2 3.88Å; L372-V374 HydrophobicContact CG-CG2 4.13Å; L372-V384 HydrophobicContact CD1-CG1 4.23Å; L372-V384 HydrophobicContact CD2-CG1 4.12Å; L372-F388 HydrophobicContact CB-CB 4.37Å; L372-F388 HydrophobicContact CB-CD1 3.66Å; L372-F388 HydrophobicContact CB-CD2 3.8Å; L372-F388 HydrophobicContact CB-CE1 3.74Å; L372-F388 HydrophobicContact CB-CE2 3.85Å; L372-F388 HydrophobicContact CB-CG 3.68Å; L372-F388 HydrophobicContact CB-CZ 3.82Å; L372-F388 HydrophobicContact CD1-CB 4.28Å; L372-F388 HydrophobicContact CD1-CD2 4.25Å; L372-F388 HydrophobicContact CD1-CG 4.29Å; L372-F388 HydrophobicContact CD2-CB 3.4Å; L372-F388 HydrophobicContact CD2-CD1 3.85Å; L372-F388 HydrophobicContact CD2-CD2 4.39Å; L372-F388 HydrophobicContact CD2-CG 3.64Å; L372-F388 HydrophobicContact CG-CB 4.21Å; L372-F388 HydrophobicContact CG-CD1 4.33Å; L372-F388 HydrophobicContact CG-CD2 4.36Å; L372-F388 HydrophobicContact CG-CG 4.06Å; L372-V398 PolarHBondContact N-O 2.98Å; L372-L399 HydrophobicContact CB-CD1 4.1Å; L372-L399 HydrophobicContact CD2-CD1 3.61Å; L372-L399 HydrophobicContact CG-CD1 4.23Å; L372-I400 PolarHBondContact O-N 2.88Å
373L98.6Very high96Very high1 Ų19.5 Ų9.51%0.0055%0.047CC..EExtended strand (participates in β ladder)trans-115.8104.2-177.6-177.657.6000111I275 L276 K290 T375 I400 V426 I430I275-L373 HydrophobicContact CG2-CB 3.76Å; I275-L373 HydrophobicContact CG2-CD2 4.16Å; L276-L373 PolarHBondContact O-N 2.9Å; K290-L373 HydrophobicContact CD-CB 4.34Å; K290-L373 HydrophobicContact CD-CD2 3.94Å; K290-L373 HydrophobicContact CD-CG 3.96Å; K290-L373 WeakPolarHBondContact CE-O 3.31Å; K290-L373 HydrophobicContact CG-CD2 3.34Å; K290-L373 HydrophobicContact CG-CG 3.72Å; K290-L373 PolarHBondContact NZ-O 2.96Å; L373-T375 HydrophobicContact CD1-CG2 3.81Å; L373-T375 HydrophobicContact CG-CG2 4Å; L373-I400 HydrophobicContact CD1-CB 3.75Å; L373-I400 HydrophobicContact CD1-CD1 4.16Å; L373-I400 HydrophobicContact CD1-CG2 3.56Å; L373-V426 HydrophobicContact CD1-CG1 4.14Å; L373-I430 HydrophobicContact CD2-CD1 3.94Å; L373-I430 HydrophobicContact CD2-CG1 4.29Å
374V98.1Very high95.9Very high2 Ų210.7 Ų10.71%0.0125%0.054CC..EExtended strand (participates in β ladder)trans-109.2108.5179.3179.70000109.5L372 N382 L399 I400 L401 S402L372-V374 HydrophobicContact CD2-CG2 3.88Å; L372-V374 HydrophobicContact CG-CG2 4.13Å; V374-N382 HydrophobicContact CG1-CB 4.32Å; V374-L399 HydrophobicContact CG2-CD1 4.31Å; V374-I400 PolarHBondContact N-O 2.98Å; V374-L401 HydrophobicContact CB-CD1 3.81Å; V374-L401 HydrophobicContact CG1-CD1 3.66Å; V374-L401 HydrophobicContact CG2-CD1 4.45Å; V374-L401 CarbonylContact O-C 3.52Å; V374-S402 PolarHBondContact O-N 2.99Å
375T98.2Very high95.9Very high0 Ų010.7 Ų10.70%05%0.054CC..  trans-115.628.9-173.8510000112.8K285 G286 K290 L373 L377 P420 V426K285-T375 CarbonylContact O-C 3.12Å; G286-T375 WeakPolarHBondContact CA-O 3.34Å; G286-T375 PolarHBondContact O-OG1 3.13Å; K290-T375 HydrophobicContact CB-CG2 4.31Å; K290-T375 WeakPolarHBondContact CB-OG1 3.23Å; K290-T375 WeakPolarHBondContact CE-OG1 3.43Å; K290-T375 HydrophobicContact CG-CG2 4.2Å; L373-T375 HydrophobicContact CD1-CG2 3.81Å; L373-T375 HydrophobicContact CG-CG2 4Å; T375-L377 PolarHBondContact O-N 3.09Å; T375-P420 WeakPolarHBondContact O-CB 3.31Å; T375-V426 HydrophobicContact CG2-CG1 4.26Å
376S96.9Very high95.8Very high0 Ų010.8 Ų10.80%06%0.056CC..  trans-53.2127.6178.8-60.50000111.5I284 D379 S402I284-S376 CarbonylContact O-C 3.53Å; I284-S376 WeakPolarHBondContact O-CA 3.47Å; S376-D379 PolarHBondContact OG-OD2 3.39Å; S376-S402 WeakPolarHBondContact O-CB 3.21Å; S376-S402 PolarHBondContact O-OG 3.39Å
377L96.5Very high95.6Very high20 Ų2012.6 Ų12.611%0.1057%0.065CC..SBendtrans-70-37.8177.2-55.9-175.5000111.3I284 Q289 T375 F404 P420 W421I284-L377 PolarHBondContact O-N 2.85Å; Q289-L377 HydrophobicContact CG-CD2 4.25Å; T375-L377 PolarHBondContact O-N 3.09Å; L377-F404 WeakPolarHBondContact O-CB 3.26Å; L377-P420 HydrophobicContact CD2-CB 4.05Å; L377-P420 HydrophobicContact CD2-CG 3.89Å; L377-W421 HydrophobicContact CB-CH2 4.12Å; L377-W421 HydrophobicContact CB-CZ2 3.79Å; L377-W421 HydrophobicContact CD2-CD2 4.45Å; L377-W421 HydrophobicContact CD2-CZ2 4.04Å; L377-W421 HydrophobicContact CG-CZ2 4.34Å; L377-W421 WeakPolarHBondContact O-CH2 3.32Å
378R94.5Very high95.6Very high50 Ų5012.4 Ų12.419%0.1896%0.063CC..SBendtrans-157.1123.1169.6-155.776.6178.5-1783.8107.7H100 Y101 P174 I284 F404H100-R378 HydrophobicContact CB-CB 4.43Å; H100-R378 PolarHBondContact CD2-O 3.15Å; Y101-R378 HydrophobicContact CD2-CG 4.24Å; P174-R378 HydrophobicContact CB-CG 4.34Å; P174-R378 HydrophobicContact CG-CG 3.89Å; I284-R378 WeakPolarHBondContact CD1-O 3.47Å; R378-F404 WeakPolarHBondContact CA-O 3.03Å
379D92.9Very high95.6Very high10 Ų1012.2 Ų12.25%0.0536%0.062CC..BIsolated β-bridgetrans-135.9136.6-178.1-138.3-15.9000109.1K285 S376 N382 F404 A405 G406K285-D379 IonicContact NZ-OD1 3.13Å; K285-D379 PolarHBondContact NZ-OD1 3.48Å; K285-D379 IonicContact NZ-OD2 2.68Å; K285-D379 PolarHBondContact NZ-OD2 2.91Å; S376-D379 PolarHBondContact OG-OD2 3.39Å; D379-N382 PolarHBondContact OD2-ND2 2.85Å; D379-N382 VanDerWaalsContact OD2-ND2 3.14Å; D379-F404 PolarHBondContact N-O 3.14Å; D379-F404 VanDerWaalsContact N-O 3.09Å; D379-A405 HydrophobicContact CB-CB 3.85Å; D379-G406 PolarHBondContact O-N 3.34Å
380G91Very high95.5Very high2 Ų212.3 Ų12.32%0.0216%0.062CC..SBendtrans-63-56.1177.300000111.1H172 H203 G406H172-G380 WeakPolarHBondContact O-CA 3.37Å; H203-G380 VanDerWaalsContact CD2-C 3.49Å; G380-G406 VanDerWaalsContact O-CA 3.31Å; G380-G406 WeakPolarHBondContact O-CA 3.37Å
381M91.7Very high95.5Very high21 Ų2111.6 Ų11.610%0.1036%0.059CC..  trans-150.9128.7168.4-174.461.164.100109.1H203 P241 I242 L383 A407H203-M381 HydrophobicContact CB-CE 4Å; P241-M381 HydrophobicContact CB-CE 3.92Å; I242-M381 HydrophobicContact CG2-CB 3.83Å; I242-M381 HydrophobicContact CG2-CG 3.73Å; M381-L383 HydrophobicContact CG-CD2 4.04Å; M381-A407 VanDerWaalsContact SD-CA 3.53Å; M381-A407 HydrophobicContact SD-CB 3.84Å; M381-A407 PolarHBondContact SD-N 3.14Å; M381-A407 VanDerWaalsContact SD-N 3.35Å
382N91.6Very high95.3Very high4 Ų411.6 Ų11.62%0.0216%0.059CC..  trans-94.899.6179.4-174-82.2000110.3V374 D379 S385 A405 A407V374-N382 HydrophobicContact CG1-CB 4.32Å; D379-N382 PolarHBondContact OD2-ND2 2.85Å; D379-N382 VanDerWaalsContact OD2-ND2 3.14Å; N382-S385 PolarHBondContact O-OG 2.8Å; N382-S385 PolarHBondContact OD1-N 3.37Å; N382-S385 VanDerWaalsContact OD1-N 3.09Å; N382-A405 HydrophobicContact CB-CB 4.09Å; N382-A407 HydrophobicContact CB-CB 4.13Å
383L93.1Very high94.9Very high48 Ų4817.7 Ų17.725%0.2519%0.085SC..Hα-helixtrans-75.4-27.4-176.8-65.9-177.4000114I242 I244 M381 S385 S386 E387I242-L383 HydrophobicContact CG2-CD2 4.12Å; I244-L383 HydrophobicContact CG2-CB 4.02Å; I244-L383 HydrophobicContact CG2-CD2 3.97Å; I244-L383 HydrophobicContact CG2-CG 4.4Å; M381-L383 HydrophobicContact CG-CD2 4.04Å; L383-S385 PolarHBondContact O-N 3.1Å; L383-S385 VanDerWaalsContact O-N 3.15Å; L383-S386 WeakPolarHBondContact O-CA 3.29Å; L383-S386 WeakPolarHBondContact O-CB 3.28Å; L383-S386 PolarHBondContact O-N 2.95Å; L383-E387 WeakPolarHBondContact O-CG 3.43Å; L383-E387 PolarHBondContact O-N 3.42Å
384V93.8Very high94.4Very high25 Ų2521.2 Ų21.215%0.15211%0.114CC..Hα-helixtrans-52.6-37.31761660000111.5V278 Y366 L372 S386 E387 F388V278-V384 HydrophobicContact CB-CG1 3.97Å; V278-V384 HydrophobicContact CB-CG2 4.42Å; V278-V384 HydrophobicContact CG1-CG2 4.48Å; Y366-V384 HydrophobicContact CE1-CG1 4.22Å; L372-V384 HydrophobicContact CD1-CG1 4.23Å; L372-V384 HydrophobicContact CD2-CG1 4.12Å; V384-S386 PolarHBondContact O-N 3.13Å; V384-E387 PolarHBondContact O-N 3.14Å; V384-F388 WeakPolarHBondContact O-CB 3.32Å; V384-F388 PolarHBondContact O-N 3.29Å
385S95.7Very high94Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-58.5-46.2173.967.50000113N382 L383 I389 L411N382-S385 PolarHBondContact O-OG 2.8Å; N382-S385 PolarHBondContact OD1-N 3.37Å; N382-S385 VanDerWaalsContact OD1-N 3.09Å; L383-S385 PolarHBondContact O-N 3.1Å; L383-S385 VanDerWaalsContact O-N 3.15Å; S385-I389 VanDerWaalsContact O-CD1 3.31Å; S385-I389 WeakPolarHBondContact O-CD1 3.34Å; S385-I389 VanDerWaalsContact O-CG1 3.32Å; S385-I389 WeakPolarHBondContact O-CG1 3.5Å; S385-I389 PolarHBondContact O-N 3.49Å; S385-I389 VanDerWaalsContact O-N 3.15Å; S385-L411 VanDerWaalsContact OG-CD1 3.29Å; S385-L411 WeakPolarHBondContact OG-CD1 3.18Å
386S94.7Very high93.8Very high11 Ų1125.8 Ų25.88%0.07714%0.135CC..Hα-helixtrans-67.9-39.2176-57.50000112.6I244 L383 V384 I389 A390I244-S386 WeakPolarHBondContact CD1-O 3.19Å; L383-S386 WeakPolarHBondContact O-CA 3.29Å; L383-S386 WeakPolarHBondContact O-CB 3.28Å; L383-S386 PolarHBondContact O-N 2.95Å; V384-S386 PolarHBondContact O-N 3.13Å; S386-I389 PolarHBondContact O-N 3.31Å; S386-A390 PolarHBondContact O-N 3.2Å
387E94.9Very high93.8Very high39 Ų3926.2 Ų26.218%0.18214%0.14CC..Hα-helixtrans-60.3-46.1177.3-62.2176.1176.900111.1I244 F249 Y366 L383 V384 A390 C391I244-E387 HydrophobicContact CD1-CG 4.38Å; I244-E387 HydrophobicContact CG2-CG 4.12Å; F249-E387 HydrophobicContact CD1-CB 4.22Å; F249-E387 HydrophobicContact CE1-CB 3.77Å; F249-E387 HydrophobicContact CE1-CG 3.7Å; F249-E387 HydrophobicContact CE2-CG 4.02Å; F249-E387 HydrophobicContact CZ-CB 4.01Å; F249-E387 HydrophobicContact CZ-CG 3.42Å; F249-E387 VanDerWaalsContact CZ-CG 3.42Å; Y366-E387 HydrophobicContact CD2-CB 4.27Å; Y366-E387 HydrophobicContact CE2-CB 3.61Å; Y366-E387 WeakPolarHBondContact CE2-OE2 3.38Å; Y366-E387 PolarHBondContact OH-OE2 2.98Å; L383-E387 WeakPolarHBondContact O-CG 3.43Å; L383-E387 PolarHBondContact O-N 3.42Å; V384-E387 PolarHBondContact O-N 3.14Å; E387-A390 PolarHBondContact O-N 3.47Å; E387-C391 PolarHBondContact O-N 2.78Å
388F96.6Very high93.9Very high1 Ų125.6 Ų25.60%0.00414%0.136CC..Hα-helixtrans-58.4-51174.5168.5-104.4000111.7Y366 T369 L372 V384 A390 C391 Q392 L399Y366-F388 HydrophobicContact CD1-CB 4.03Å; Y366-F388 HydrophobicContact CD1-CD2 4.24Å; Y366-F388 HydrophobicContact CE1-CB 4.35Å; T369-F388 HydrophobicContact CG2-CD2 4.41Å; T369-F388 HydrophobicContact CG2-CE2 3.69Å; T369-F388 HydrophobicContact CG2-CZ 4.48Å; L372-F388 HydrophobicContact CB-CB 4.37Å; L372-F388 HydrophobicContact CB-CD1 3.66Å; L372-F388 HydrophobicContact CB-CD2 3.8Å; L372-F388 HydrophobicContact CB-CE1 3.74Å; L372-F388 HydrophobicContact CB-CE2 3.85Å; L372-F388 HydrophobicContact CB-CG 3.68Å; L372-F388 HydrophobicContact CB-CZ 3.82Å; L372-F388 HydrophobicContact CD1-CB 4.28Å; L372-F388 HydrophobicContact CD1-CD2 4.25Å; L372-F388 HydrophobicContact CD1-CG 4.29Å; L372-F388 HydrophobicContact CD2-CB 3.4Å; L372-F388 HydrophobicContact CD2-CD1 3.85Å; L372-F388 HydrophobicContact CD2-CD2 4.39Å; L372-F388 HydrophobicContact CD2-CG 3.64Å; L372-F388 HydrophobicContact CG-CB 4.21Å; L372-F388 HydrophobicContact CG-CD1 4.33Å; L372-F388 HydrophobicContact CG-CD2 4.36Å; L372-F388 HydrophobicContact CG-CG 4.06Å; V384-F388 WeakPolarHBondContact O-CB 3.32Å; V384-F388 PolarHBondContact O-N 3.29Å; F388-A390 PolarHBondContact O-N 3.38Å; F388-C391 PolarHBondContact O-N 3.32Å; F388-C391 VanDerWaalsContact O-N 3.12Å; F388-Q392 HydrophobicContact CD1-CG 4.26Å; F388-Q392 HydrophobicContact CD2-CG 3.93Å; F388-Q392 HydrophobicContact CE1-CG 4.01Å; F388-Q392 HydrophobicContact CE2-CG 3.67Å; F388-Q392 HydrophobicContact CG-CG 4.24Å; F388-Q392 HydrophobicContact CZ-CG 3.71Å; F388-Q392 WeakPolarHBondContact O-CG 3.31Å; F388-Q392 PolarHBondContact O-N 3.07Å; F388-L399 HydrophobicContact CE1-CB 4.29Å
389I96.7Very high94.1Very high4 Ų423.4 Ų23.42%0.02113%0.129CC..Hα-helixtrans-57-40.2179.9-70.6156.6000111.5S385 S386 C391 Q392 L399 L411 H445 N448 F449 V452S385-I389 VanDerWaalsContact O-CD1 3.31Å; S385-I389 WeakPolarHBondContact O-CD1 3.34Å; S385-I389 VanDerWaalsContact O-CG1 3.32Å; S385-I389 WeakPolarHBondContact O-CG1 3.5Å; S385-I389 PolarHBondContact O-N 3.49Å; S385-I389 VanDerWaalsContact O-N 3.15Å; S386-I389 PolarHBondContact O-N 3.31Å; I389-C391 VanDerWaalsContact C-N 3.34Å; I389-C391 PolarHBondContact O-N 3.42Å; I389-Q392 PolarHBondContact O-N 2.96Å; I389-L399 HydrophobicContact CD1-CD2 3.84Å; I389-L399 HydrophobicContact CG1-CD2 4.45Å; I389-L411 HydrophobicContact CD1-CD1 3.68Å; I389-L411 HydrophobicContact CD1-CD2 4.02Å; I389-L411 HydrophobicContact CD1-CG 4.36Å; I389-H445 PolarHBondContact O-NE2 3.45Å; I389-N448 HydrophobicContact CD1-CB 3.73Å; I389-N448 HydrophobicContact CG1-CB 4.24Å; I389-N448 HydrophobicContact CG2-CB 4.24Å; I389-F449 HydrophobicContact CG2-CB 4.01Å; I389-F449 HydrophobicContact CG2-CD2 4.2Å; I389-V452 HydrophobicContact CB-CG2 4.24Å; I389-V452 HydrophobicContact CD1-CG2 4.09Å; I389-V452 HydrophobicContact CG2-CB 4.38Å; I389-V452 HydrophobicContact CG2-CG2 4.01Å
390A95.6Very high94.3Very high2 Ų223 Ų232%0.01713%0.126CC..Hα-helixtrans-64.6-35.518000000112.9I244 P246 F249 I250 S386 E387 F388I244-A390 HydrophobicContact CD1-CB 3.96Å; P246-A390 HydrophobicContact CB-CB 4.48Å; F249-A390 HydrophobicContact CB-CB 3.8Å; F249-A390 HydrophobicContact CG-CB 4.47Å; I250-A390 WeakPolarHBondContact CG1-O 3.25Å; S386-A390 PolarHBondContact O-N 3.2Å; E387-A390 PolarHBondContact O-N 3.47Å; F388-A390 PolarHBondContact O-N 3.38Å
391C96.3Very high94.7Very high2 Ų222.9 Ų22.91%0.01413%0.125CC..Hα-helixtrans-81.8-10.6178.1-68.70000114.2A367 E387 F388 I389 K393A367-C391 HydrophobicContact CB-CB 4.33Å; E387-C391 PolarHBondContact O-N 2.78Å; F388-C391 PolarHBondContact O-N 3.32Å; F388-C391 VanDerWaalsContact O-N 3.12Å; I389-C391 VanDerWaalsContact C-N 3.34Å; I389-C391 PolarHBondContact O-N 3.42Å; C391-K393 VanDerWaalsContact C-N 3.25Å; C391-K393 PolarHBondContact O-N 3.22Å
392Q95.4Very high95Very high0 Ų021.9 Ų21.90%012%0.12CC..  trans-85.348.2-171-78.2-72.2-18.700113.8Y366 T369 F388 I389 K396 H445Y366-Q392 PolarHBondContact O-NE2 3.03Å; T369-Q392 PolarHBondContact O-NE2 2.92Å; F388-Q392 HydrophobicContact CD1-CG 4.26Å; F388-Q392 HydrophobicContact CD2-CG 3.93Å; F388-Q392 HydrophobicContact CE1-CG 4.01Å; F388-Q392 HydrophobicContact CE2-CG 3.67Å; F388-Q392 HydrophobicContact CG-CG 4.24Å; F388-Q392 HydrophobicContact CZ-CG 3.71Å; F388-Q392 WeakPolarHBondContact O-CG 3.31Å; F388-Q392 PolarHBondContact O-N 3.07Å; I389-Q392 PolarHBondContact O-N 2.96Å; Q392-K396 WeakPolarHBondContact O-CD 3.13Å; Q392-K396 PolarHBondContact O-NZ 3.37Å; Q392-K396 VanDerWaalsContact OE1-N 3.09Å; Q392-H445 PolarHBondContact O-CE1 3.41Å; Q392-H445 PolarHBondContact O-NE2 2.95Å; Q392-H445 VanDerWaalsContact O-NE2 3.12Å
393K90.2Very high95.2Very high130 Ų13026.2 Ų26.257%0.56514%0.14SC*.SBendtrans-68.3-43.5-180-169.5179.3-175.5-1790112.3E254 C391 K396E254-K393 IonicContact OE1-NZ 2.78Å; E254-K393 PolarHBondContact OE1-NZ 3.24Å; C391-K393 VanDerWaalsContact C-N 3.25Å; C391-K393 PolarHBondContact O-N 3.22Å; K393-K396 WeakPolarHBondContact O-CE 3.3Å; K393-K396 PolarHBondContact O-NZ 3.4Å
394A88.9Confident95.3Very high74 Ų7426.1 Ų26.161%0.61214%0.138SC*.SBendtrans-97.3-53-172.500000113.7
395E88.6Confident95.3Very high63 Ų6325 Ų2529%0.29413%0.131SC..SBendtrans-77.9-24-170.9-62.6-63.4153.600113.9K266 A367 G397K266-E395 IonicContact NZ-OE1 2.81Å; K266-E395 PolarHBondContact NZ-OE1 3.08Å; A367-E395 VanDerWaalsContact O-CG 3.3Å; A367-E395 WeakPolarHBondContact O-CG 3.36Å; E395-G397 PolarHBondContact O-N 3.28Å
396K94.8Very high95Very high36 Ų3625.1 Ų25.116%0.15713%0.132CC..  trans52.440.7-176.5-53.1-61.1177.9-164.20112.3Q392 K393 K441 H445Q392-K396 WeakPolarHBondContact O-CD 3.13Å; Q392-K396 PolarHBondContact O-NZ 3.37Å; Q392-K396 VanDerWaalsContact OE1-N 3.09Å; K393-K396 WeakPolarHBondContact O-CE 3.3Å; K393-K396 PolarHBondContact O-NZ 3.4Å; K396-K441 HydrophobicContact CB-CB 4.2Å; K396-K441 WeakPolarHBondContact O-CB 3.46Å; K396-H445 HydrophobicContact CB-CB 4.34Å; K396-H445 HydrophobicContact CD-CB 3.84Å; K396-H445 WeakPolarHBondContact CD-ND1 3.47Å; K396-H445 PolarHBondContact NZ-CE1 2.92Å; K396-H445 PolarHBondContact NZ-ND1 3Å
397G96Very high94.9Very high9 Ų924.6 Ų24.69%0.09313%0.129CC..  trans-55.3152.4-178.600000113.1D370 E395D370-G397 CarbonylContact O-C 3.52Å; D370-G397 WeakPolarHBondContact O-CA 3.31Å; E395-G397 PolarHBondContact O-N 3.28Å
398V98.3Very high94.7Very high6 Ų623.1 Ų23.14%0.03612%0.124CC..EExtended strand (participates in β ladder)trans-87.9133.9-173.7-177.10000110.1D370 V371 L372 I416 A433 M436 K441D370-V398 PolarHBondContact O-N 2.79Å; V371-V398 CarbonylContact C-O 3.25Å; V371-V398 VanDerWaalsContact CA-O 3.27Å; V371-V398 WeakPolarHBondContact CA-O 3.45Å; L372-V398 PolarHBondContact N-O 2.98Å; V398-I416 HydrophobicContact CG1-CD1 3.82Å; V398-I416 HydrophobicContact CG1-CG1 4.15Å; V398-A433 HydrophobicContact CB-CB 3.9Å; V398-A433 HydrophobicContact CG1-CB 3.69Å; V398-A433 HydrophobicContact CG2-CB 4.35Å; V398-M436 HydrophobicContact CG1-CE 4.05Å; V398-M436 HydrophobicContact CG1-SD 4.32Å; V398-M436 HydrophobicContact CG2-CB 4.33Å; V398-M436 HydrophobicContact CG2-CE 4.29Å; V398-M436 HydrophobicContact CG2-SD 3.62Å; V398-K441 HydrophobicContact CG2-CD 4.19Å; V398-K441 HydrophobicContact CG2-CG 3.78Å
399L98.5Very high94.1Very high5 Ų528.2 Ų28.23%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-94.5115.9171.9174.461.2000109.7L372 V374 F388 I389 L401 L411 A415 I416L372-L399 HydrophobicContact CB-CD1 4.1Å; L372-L399 HydrophobicContact CD2-CD1 3.61Å; L372-L399 HydrophobicContact CG-CD1 4.23Å; V374-L399 HydrophobicContact CG2-CD1 4.31Å; F388-L399 HydrophobicContact CE1-CB 4.29Å; I389-L399 HydrophobicContact CD1-CD2 3.84Å; I389-L399 HydrophobicContact CG1-CD2 4.45Å; L399-L401 HydrophobicContact CD1-CB 4.36Å; L399-L401 HydrophobicContact CD2-CB 4.45Å; L399-L401 HydrophobicContact CD2-CD2 4.29Å; L399-L401 HydrophobicContact CG-CB 4.1Å; L399-L411 HydrophobicContact CD2-CB 4.46Å; L399-L411 HydrophobicContact CD2-CD1 4.27Å; L399-A415 HydrophobicContact CB-CB 4.38Å; L399-A415 HydrophobicContact CD2-CB 4.1Å; L399-A415 HydrophobicContact CG-CB 4.06Å; L399-A415 CarbonylContact O-C 3.56Å; L399-A415 WeakPolarHBondContact O-CA 3.21Å; L399-I416 PolarHBondContact O-N 3.34Å
400I98.7Very high93.6Very high0 Ų029.1 Ų29.10%016%0.155CC..EExtended strand (participates in β ladder)trans-96.7120.4164-57.9174.3000107.3V371 L372 L373 V374 I416 V418 A429 I430 A433V371-I400 HydrophobicContact CG1-CD1 3.63Å; V371-I400 HydrophobicContact CG1-CG1 3.91Å; L372-I400 PolarHBondContact O-N 2.88Å; L373-I400 HydrophobicContact CD1-CB 3.75Å; L373-I400 HydrophobicContact CD1-CD1 4.16Å; L373-I400 HydrophobicContact CD1-CG2 3.56Å; V374-I400 PolarHBondContact N-O 2.98Å; I400-I416 WeakPolarHBondContact CA-O 3.41Å; I400-I416 HydrophobicContact CG1-CB 4.38Å; I400-I416 HydrophobicContact CG1-CD1 4.45Å; I400-V418 HydrophobicContact CG2-CB 4.44Å; I400-V418 HydrophobicContact CG2-CG1 3.74Å; I400-V418 HydrophobicContact CG2-CG2 3.77Å; I400-A429 HydrophobicContact CD1-CB 4.21Å; I400-A429 WeakPolarHBondContact CD1-O 3.34Å; I400-A429 HydrophobicContact CG2-CB 4.25Å; I400-I430 HydrophobicContact CD1-CB 4.5Å; I400-I430 HydrophobicContact CD1-CG1 3.98Å; I400-A433 HydrophobicContact CD1-CB 3.83Å; I400-A433 HydrophobicContact CG1-CB 4.12Å
401L98.3Very high93.5Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-130.7129.3-169.4-18059.9000111.2V374 L399 E403 A405 A407 L411 A415 I416 L417 V418V374-L401 HydrophobicContact CB-CD1 3.81Å; V374-L401 HydrophobicContact CG1-CD1 3.66Å; V374-L401 HydrophobicContact CG2-CD1 4.45Å; V374-L401 CarbonylContact O-C 3.52Å; L399-L401 HydrophobicContact CD1-CB 4.36Å; L399-L401 HydrophobicContact CD2-CB 4.45Å; L399-L401 HydrophobicContact CD2-CD2 4.29Å; L399-L401 HydrophobicContact CG-CB 4.1Å; L401-E403 PolarHBondContact O-N 3.38Å; L401-A405 HydrophobicContact CD1-CB 4.13Å; L401-A407 HydrophobicContact CD1-CB 4.4Å; L401-A407 HydrophobicContact CD2-CB 4.03Å; L401-L411 HydrophobicContact CD2-CB 4.16Å; L401-A415 HydrophobicContact CB-CB 4.06Å; L401-A415 HydrophobicContact CD2-CB 4.49Å; L401-I416 PolarHBondContact N-O 3.13Å; L401-L417 HydrophobicContact CB-CD2 4.28Å; L401-L417 HydrophobicContact CD2-CD2 4.47Å; L401-L417 HydrophobicContact CG-CD2 4.38Å; L401-L417 VanDerWaalsContact O-CA 3.28Å; L401-L417 WeakPolarHBondContact O-CA 3.37Å; L401-V418 PolarHBondContact O-N 3.38Å
402S98.1Very high93.1Very high0 Ų029.8 Ų29.80%016%0.162CC..EExtended strand (participates in β ladder)trans-58.4130.8170.9176.60000111.2V374 S376 F404 A405 V418V374-S402 PolarHBondContact O-N 2.99Å; S376-S402 WeakPolarHBondContact O-CB 3.21Å; S376-S402 PolarHBondContact O-OG 3.39Å; S402-F404 PolarHBondContact O-N 3.24Å; S402-F404 VanDerWaalsContact O-N 3.13Å; S402-F404 PolarHBondContact OG-N 2.86Å; S402-F404 VanDerWaalsContact OG-N 3.15Å; S402-A405 PolarHBondContact O-N 3.28Å; S402-V418 WeakPolarHBondContact CA-O 3.41Å
403E96.1Very high92.9Very high95 Ų9533.2 Ų33.244%0.44419%0.19SC..THydrogen-bonded Turntrans-62.7-15.2172.567.7-177.2175.200112.9L401 V418L401-E403 PolarHBondContact O-N 3.38Å; E403-V418 PolarHBondContact N-O 3.05Å; E403-V418 VanDerWaalsContact N-O 3.09Å
404F95.9Very high93Very high46 Ų4627.2 Ų27.220%0.20217%0.166CC..THydrogen-bonded Turntrans-95.10.3-179.1-57.4-85.1000114.3L377 R378 D379 S402 N419 P420 W421L377-F404 WeakPolarHBondContact O-CB 3.26Å; R378-F404 WeakPolarHBondContact CA-O 3.03Å; D379-F404 PolarHBondContact N-O 3.14Å; D379-F404 VanDerWaalsContact N-O 3.09Å; S402-F404 PolarHBondContact O-N 3.24Å; S402-F404 VanDerWaalsContact O-N 3.13Å; S402-F404 PolarHBondContact OG-N 2.86Å; S402-F404 VanDerWaalsContact OG-N 3.15Å; F404-N419 HydrophobicContact CE2-CB 4.36Å; F404-P420 HydrophobicContact CD2-CG 4.15Å; F404-W421 HydrophobicContact CD1-CH2 4.33Å; F404-W421 AromaticContact CD1-CZ3 3.91Å; F404-W421 HydrophobicContact CD1-CZ3 3.91Å; F404-W421 HydrophobicContact CD2-CE3 4.11Å; F404-W421 HydrophobicContact CD2-CH2 4.3Å; F404-W421 AromaticContact CD2-CZ3 3.39Å; F404-W421 HydrophobicContact CD2-CZ3 3.39Å; F404-W421 AromaticContact CE1-CZ3 3.86Å; F404-W421 HydrophobicContact CE1-CZ3 3.86Å; F404-W421 AromaticContact CE2-CE3 3.76Å; F404-W421 HydrophobicContact CE2-CE3 3.76Å; F404-W421 AromaticContact CE2-CZ3 3.34Å; F404-W421 HydrophobicContact CE2-CZ3 3.34Å; F404-W421 HydrophobicContact CG-CH2 4.2Å; F404-W421 AromaticContact CG-CZ3 3.68Å; F404-W421 HydrophobicContact CG-CZ3 3.68Å; F404-W421 HydrophobicContact CZ-CE3 4.14Å; F404-W421 AromaticContact CZ-CZ3 3.58Å; F404-W421 HydrophobicContact CZ-CZ3 3.58Å
405A94Very high93.4Very high1 Ų124 Ų241%0.00814%0.138CC..BIsolated β-bridgetrans-87138.3165.100000109.1D379 N382 L401 S402 A407 G408D379-A405 HydrophobicContact CB-CB 3.85Å; N382-A405 HydrophobicContact CB-CB 4.09Å; L401-A405 HydrophobicContact CD1-CB 4.13Å; S402-A405 PolarHBondContact O-N 3.28Å; A405-A407 PolarHBondContact O-N 3.28Å; A405-G408 PolarHBondContact O-N 3.17Å
406G89.2Confident93.9Very high3 Ų321.7 Ų21.73%0.03113%0.128CC..THydrogen-bonded Turntrans-56.3-23.8176.900000114D379 G380 G408 Q409D379-G406 PolarHBondContact O-N 3.34Å; G380-G406 VanDerWaalsContact O-CA 3.31Å; G380-G406 WeakPolarHBondContact O-CA 3.37Å; G406-G408 PolarHBondContact O-N 3.22Å; G406-Q409 PolarHBondContact O-N 3.03Å
407A92.4Very high94Very high1 Ų123.5 Ų23.51%0.00814%0.139CC..Hα-helixtrans-63.9-22.5172.500000113.3M381 N382 L401 A405 Q409 S410 L411M381-A407 VanDerWaalsContact SD-CA 3.53Å; M381-A407 HydrophobicContact SD-CB 3.84Å; M381-A407 PolarHBondContact SD-N 3.14Å; M381-A407 VanDerWaalsContact SD-N 3.35Å; N382-A407 HydrophobicContact CB-CB 4.13Å; L401-A407 HydrophobicContact CD1-CB 4.4Å; L401-A407 HydrophobicContact CD2-CB 4.03Å; A405-A407 PolarHBondContact O-N 3.28Å; A407-Q409 VanDerWaalsContact C-N 3.29Å; A407-Q409 PolarHBondContact O-N 2.78Å; A407-S410 PolarHBondContact O-N 3.31Å; A407-S410 VanDerWaalsContact O-N 3.14Å; A407-L411 HydrophobicContact CB-CD1 4.32Å; A407-L411 WeakPolarHBondContact O-CB 3.44Å; A407-L411 PolarHBondContact O-N 3.49Å
408G90Very high94.1Very high8 Ų823.1 Ų23.18%0.08214%0.135CC..Hα-helixtrans-61.7-34.9177.800000112.9A405 G406 S410 G412A405-G408 PolarHBondContact O-N 3.17Å; G406-G408 PolarHBondContact O-N 3.22Å; G408-S410 VanDerWaalsContact C-N 3.33Å; G408-G412 VanDerWaalsContact O-CA 3.25Å; G408-G412 WeakPolarHBondContact O-CA 3.43Å; G408-G412 PolarHBondContact O-N 3.02Å; G408-G412 VanDerWaalsContact O-N 3.08Å
409Q84.5Confident94.1Very high107 Ų10724.8 Ų24.850%0.514%0.144SC..Hα-helixtrans-72-29.9175.6-61.6-172.75.400112.3D206 G406 A407D206-Q409 PolarHBondContact OD2-NE2 3.14Å; G406-Q409 PolarHBondContact O-N 3.03Å; A407-Q409 VanDerWaalsContact C-N 3.29Å; A407-Q409 PolarHBondContact O-N 2.78Å
410S86.2Confident94.1Very high23 Ų2324.5 Ų24.516%0.16114%0.142CC..Hα-helixtrans-88.9-41.8-176.3-59.30000113.3A407 G408 Y451A407-S410 PolarHBondContact O-N 3.31Å; A407-S410 VanDerWaalsContact O-N 3.14Å; G408-S410 VanDerWaalsContact C-N 3.33Å; S410-Y451 WeakPolarHBondContact CB-OH 3.49Å; S410-Y451 PolarHBondContact OG-OH 2.89Å
411L92.8Very high94Very high2 Ų230.9 Ų30.91%0.0117%0.166CC..Hα-helixtrans-1122.6-170.3-58.9177.5000113.1S385 I389 L399 L401 A407 A413 G414 A415 N448 Y451 V452S385-L411 VanDerWaalsContact OG-CD1 3.29Å; S385-L411 WeakPolarHBondContact OG-CD1 3.18Å; I389-L411 HydrophobicContact CD1-CD1 3.68Å; I389-L411 HydrophobicContact CD1-CD2 4.02Å; I389-L411 HydrophobicContact CD1-CG 4.36Å; L399-L411 HydrophobicContact CD2-CB 4.46Å; L399-L411 HydrophobicContact CD2-CD1 4.27Å; L401-L411 HydrophobicContact CD2-CB 4.16Å; A407-L411 HydrophobicContact CB-CD1 4.32Å; A407-L411 WeakPolarHBondContact O-CB 3.44Å; A407-L411 PolarHBondContact O-N 3.49Å; L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 2.81Å; L411-G414 PolarHBondContact O-N 3.1Å; L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 2.97Å; L411-A415 VanDerWaalsContact O-N 3.14Å; L411-N448 HydrophobicContact CD2-CB 4.34Å; L411-N448 PolarHBondContact O-ND2 3.38Å; L411-N448 PolarHBondContact O-OD1 3.21Å; L411-Y451 HydrophobicContact CD2-CD1 3.71Å; L411-Y451 HydrophobicContact CD2-CE1 4.43Å; L411-Y451 HydrophobicContact CD2-CG 4.26Å; L411-V452 HydrophobicContact CD2-CG2 3.91Å
412G89.1Confident94Very high17 Ų1734.1 Ų34.118%0.17518%0.184CC..G310 helixtrans-59.3-34.4-17600000113.7G408 G414 A415G408-G412 VanDerWaalsContact O-CA 3.25Å; G408-G412 WeakPolarHBondContact O-CA 3.43Å; G408-G412 PolarHBondContact O-N 3.02Å; G408-G412 VanDerWaalsContact O-N 3.08Å; G412-G414 PolarHBondContact O-N 3.43Å; G412-A415 PolarHBondContact O-N 2.95Å
413A90.1Very high94Very high71 Ų7136.1 Ų36.159%0.58719%0.194SC*.G310 helixtrans-61.9-29.9-179.900000113.6L411 I447L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 2.81Å; A413-I447 HydrophobicContact CB-CG2 3.91Å
414G93.3Very high94.1Very high5 Ų537.9 Ų37.95%0.05220%0.2CC..G310 helixtrans-110.68.6176.800000114.5L411 G412 K444 N448L411-G414 PolarHBondContact O-N 3.1Å; G412-G414 PolarHBondContact O-N 3.43Å; G414-K444 WeakPolarHBondContact O-CB 3.44Å; G414-N448 VanDerWaalsContact CA-CG 3.48Å; G414-N448 WeakPolarHBondContact CA-ND2 3.43Å; G414-N448 VanDerWaalsContact CA-OD1 3.29Å; G414-N448 WeakPolarHBondContact CA-OD1 3.29Å; G414-N448 PolarHBondContact N-OD1 2.99Å; G414-N448 PolarHBondContact O-ND2 3.09Å
415A97Very high94.2Very high5 Ų539 Ų394%0.04121%0.206CC..SBendtrans-108.9171.6178.200000111.6L399 L401 L411 G412 K444L399-A415 HydrophobicContact CB-CB 4.38Å; L399-A415 HydrophobicContact CD2-CB 4.1Å; L399-A415 HydrophobicContact CG-CB 4.06Å; L399-A415 CarbonylContact O-C 3.56Å; L399-A415 WeakPolarHBondContact O-CA 3.21Å; L401-A415 HydrophobicContact CB-CB 4.06Å; L401-A415 HydrophobicContact CD2-CB 4.49Å; L411-A415 WeakPolarHBondContact O-CB 3.41Å; L411-A415 PolarHBondContact O-N 2.97Å; L411-A415 VanDerWaalsContact O-N 3.14Å; G412-A415 PolarHBondContact O-N 2.95Å; A415-K444 PolarHBondContact O-NZ 3.09Å
416I98.3Very high94.4Very high16 Ų1639 Ų398%0.08221%0.206CC..EExtended strand (participates in β ladder)trans-98.2109.1157.8-56.1175.6000105.9V398 L399 I400 L401 V418 A429 E432 A433 M436V398-I416 HydrophobicContact CG1-CD1 3.82Å; V398-I416 HydrophobicContact CG1-CG1 4.15Å; L399-I416 PolarHBondContact O-N 3.34Å; I400-I416 WeakPolarHBondContact CA-O 3.41Å; I400-I416 HydrophobicContact CG1-CB 4.38Å; I400-I416 HydrophobicContact CG1-CD1 4.45Å; L401-I416 PolarHBondContact N-O 3.13Å; I416-V418 HydrophobicContact CG2-CG1 4.34Å; I416-A429 HydrophobicContact CG2-CB 3.8Å; I416-E432 HydrophobicContact CD1-CB 4.28Å; I416-E432 HydrophobicContact CD1-CG 4.09Å; I416-A433 HydrophobicContact CD1-CB 4.06Å; I416-M436 HydrophobicContact CD1-CE 3.79Å; I416-M436 HydrophobicContact CG1-CE 4.22Å
417L98.2Very high94.9Very high73 Ų7338.9 Ų38.938%0.38221%0.205SC..EExtended strand (participates in β ladder)trans-77.7136.7177.6-66.9-179.1000110L401L401-L417 HydrophobicContact CB-CD2 4.28Å; L401-L417 HydrophobicContact CD2-CD2 4.47Å; L401-L417 HydrophobicContact CG-CD2 4.38Å; L401-L417 VanDerWaalsContact O-CA 3.28Å; L401-L417 WeakPolarHBondContact O-CA 3.37Å
418V98.4Very high95.1Very high1 Ų142 Ų421%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-135.5147.2-180-640000111.8I400 L401 S402 E403 I416 P420 E425 V426 A429I400-V418 HydrophobicContact CG2-CB 4.44Å; I400-V418 HydrophobicContact CG2-CG1 3.74Å; I400-V418 HydrophobicContact CG2-CG2 3.77Å; L401-V418 PolarHBondContact O-N 3.38Å; S402-V418 WeakPolarHBondContact CA-O 3.41Å; E403-V418 PolarHBondContact N-O 3.05Å; E403-V418 VanDerWaalsContact N-O 3.09Å; I416-V418 HydrophobicContact CG2-CG1 4.34Å; V418-P420 WeakPolarHBondContact O-CD 3.48Å; V418-E425 WeakPolarHBondContact CA-OE1 3.31Å; V418-V426 HydrophobicContact CB-CG2 4.12Å; V418-V426 HydrophobicContact CG2-CG2 4.13Å; V418-A429 HydrophobicContact CG1-CB 3.5Å
419N98Very high95.5Very high41 Ų4141.8 Ų41.822%0.21922%0.224CC..  trans-82.6112.8161.7-179-33.2000109.8F404 W421 N422 E425F404-N419 HydrophobicContact CE2-CB 4.36Å; N419-W421 PolarHBondContact O-N 3.5Å; N419-W421 WeakPolarHBondContact OD1-CB 3.3Å; N419-W421 VanDerWaalsContact OD1-CE3 3.31Å; N419-W421 PolarHBondContact OD1-N 2.99Å; N419-N422 HydrophobicContact CB-CB 4.21Å; N419-N422 PolarHBondContact O-N 3.35Å; N419-N422 PolarHBondContact OD1-N 3.43Å; N419-E425 PolarHBondContact N-OE1 3.27Å
420P97.4Very high96.2Very high0 Ų036.7 Ų36.70%020%0.2CC..THydrogen-bonded Turntrans-68.5-17.4-174.629.6-35.8000113.8Q289 T375 L377 F404 V418Q289-P420 WeakPolarHBondContact CB-O 3.32Å; Q289-P420 WeakPolarHBondContact CG-O 3.43Å; T375-P420 WeakPolarHBondContact O-CB 3.31Å; L377-P420 HydrophobicContact CD2-CB 4.05Å; L377-P420 HydrophobicContact CD2-CG 3.89Å; F404-P420 HydrophobicContact CD2-CG 4.15Å; V418-P420 WeakPolarHBondContact O-CD 3.48Å
421W97.5Very high96.8Very high133 Ų13336.1 Ų36.150%0.50420%0.198SC..THydrogen-bonded Turntrans-78.3-23.7173.3-64.8-86.5000112.4L377 F404 N419 I423L377-W421 HydrophobicContact CB-CH2 4.12Å; L377-W421 HydrophobicContact CB-CZ2 3.79Å; L377-W421 HydrophobicContact CD2-CD2 4.45Å; L377-W421 HydrophobicContact CD2-CZ2 4.04Å; L377-W421 HydrophobicContact CG-CZ2 4.34Å; L377-W421 WeakPolarHBondContact O-CH2 3.32Å; F404-W421 HydrophobicContact CD1-CH2 4.33Å; F404-W421 AromaticContact CD1-CZ3 3.91Å; F404-W421 HydrophobicContact CD1-CZ3 3.91Å; F404-W421 HydrophobicContact CD2-CE3 4.11Å; F404-W421 HydrophobicContact CD2-CH2 4.3Å; F404-W421 AromaticContact CD2-CZ3 3.39Å; F404-W421 HydrophobicContact CD2-CZ3 3.39Å; F404-W421 AromaticContact CE1-CZ3 3.86Å; F404-W421 HydrophobicContact CE1-CZ3 3.86Å; F404-W421 AromaticContact CE2-CE3 3.76Å; F404-W421 HydrophobicContact CE2-CE3 3.76Å; F404-W421 AromaticContact CE2-CZ3 3.34Å; F404-W421 HydrophobicContact CE2-CZ3 3.34Å; F404-W421 HydrophobicContact CG-CH2 4.2Å; F404-W421 AromaticContact CG-CZ3 3.68Å; F404-W421 HydrophobicContact CG-CZ3 3.68Å; F404-W421 HydrophobicContact CZ-CE3 4.14Å; F404-W421 AromaticContact CZ-CZ3 3.58Å; F404-W421 HydrophobicContact CZ-CZ3 3.58Å; N419-W421 PolarHBondContact O-N 3.5Å; N419-W421 WeakPolarHBondContact OD1-CB 3.3Å; N419-W421 VanDerWaalsContact OD1-CE3 3.31Å; N419-W421 PolarHBondContact OD1-N 2.99Å; W421-I423 PolarHBondContact O-N 3.38Å; W421-I423 VanDerWaalsContact O-N 3.15Å
422N98.1Very high97Very high69 Ų6941 Ų4137%0.36922%0.22SC..  trans-85.982175.7-170.8-6.8000110.5N419 K424 E425 V426N419-N422 HydrophobicContact CB-CB 4.21Å; N419-N422 PolarHBondContact O-N 3.35Å; N419-N422 PolarHBondContact OD1-N 3.43Å; N422-K424 PolarHBondContact O-N 3.35Å; N422-K424 VanDerWaalsContact O-N 3.07Å; N422-K424 PolarHBondContact OD1-N 3.46Å; N422-E425 HydrophobicContact CB-CB 3.83Å; N422-E425 WeakPolarHBondContact CB-OE2 3.32Å; N422-E425 VanDerWaalsContact CG-CB 3.41Å; N422-E425 WeakPolarHBondContact ND2-CB 3.47Å; N422-E425 PolarHBondContact ND2-OE2 2.93Å; N422-E425 WeakPolarHBondContact O-CB 3.44Å; N422-E425 PolarHBondContact O-N 3.49Å; N422-E425 PolarHBondContact OD1-N 2.93Å; N422-V426 PolarHBondContact O-N 3.47Å
423I98.1Very high97.4Very high41 Ų4140.1 Ų40.121%0.2121%0.212CC..Hα-helixtrans-52.5-35-177.7-58.9-53000112.8Q289 Q292 A293 K296 W421 S427Q289-I423 HydrophobicContact CB-CD1 4.05Å; Q289-I423 HydrophobicContact CG-CD1 4.26Å; Q292-I423 HydrophobicContact CB-CD1 3.9Å; Q292-I423 HydrophobicContact CB-CG1 4.33Å; Q292-I423 HydrophobicContact CB-CG2 4.15Å; A293-I423 HydrophobicContact CB-CG2 4.27Å; K296-I423 HydrophobicContact CB-CG2 4.08Å; K296-I423 HydrophobicContact CG-CG2 4.45Å; W421-I423 PolarHBondContact O-N 3.38Å; W421-I423 VanDerWaalsContact O-N 3.15Å; I423-S427 WeakPolarHBondContact O-CB 3.14Å; I423-S427 PolarHBondContact O-N 2.77Å
424K98Very high97.8Very high133 Ų13337.3 Ų37.358%0.57819%0.187SC*.Hα-helixtrans-70.7-38.9179-173.5-179.8179.3-176.10112.3N422 S427 S428N422-K424 PolarHBondContact O-N 3.35Å; N422-K424 VanDerWaalsContact O-N 3.07Å; N422-K424 PolarHBondContact OD1-N 3.46Å; K424-S427 WeakPolarHBondContact O-CB 3.36Å; K424-S427 PolarHBondContact O-N 3.5Å; K424-S428 WeakPolarHBondContact O-CB 3.37Å; K424-S428 PolarHBondContact O-N 2.92Å; K424-S428 PolarHBondContact O-OG 2.99Å
425E98.2Very high98Very high68 Ų6842.2 Ų42.232%0.31821%0.212SC..Hα-helixtrans-66.5-45.2176.2-178.8-173.3145.100111V418 N419 N422 S427 S428 A429V418-E425 WeakPolarHBondContact CA-OE1 3.31Å; N419-E425 PolarHBondContact N-OE1 3.27Å; N422-E425 HydrophobicContact CB-CB 3.83Å; N422-E425 WeakPolarHBondContact CB-OE2 3.32Å; N422-E425 VanDerWaalsContact CG-CB 3.41Å; N422-E425 WeakPolarHBondContact ND2-CB 3.47Å; N422-E425 PolarHBondContact ND2-OE2 2.93Å; N422-E425 WeakPolarHBondContact O-CB 3.44Å; N422-E425 PolarHBondContact O-N 3.49Å; N422-E425 PolarHBondContact OD1-N 2.93Å; E425-S427 VanDerWaalsContact C-N 3.33Å; E425-S427 PolarHBondContact O-N 2.92Å; E425-S428 PolarHBondContact O-N 2.9Å; E425-S428 VanDerWaalsContact O-N 3.14Å; E425-A429 WeakPolarHBondContact O-CB 3.41Å; E425-A429 PolarHBondContact O-N 3.31Å
426V98.5Very high98Very high1 Ų142.9 Ų42.91%0.00622%0.215CC..Hα-helixtrans-61.6-42.2174.8-174.90000111.1A293 L373 T375 V418 N422 S428 A429 I430A293-V426 HydrophobicContact CB-CB 3.54Å; A293-V426 HydrophobicContact CB-CG1 3.38Å; L373-V426 HydrophobicContact CD1-CG1 4.14Å; T375-V426 HydrophobicContact CG2-CG1 4.26Å; V418-V426 HydrophobicContact CB-CG2 4.12Å; V418-V426 HydrophobicContact CG2-CG2 4.13Å; N422-V426 PolarHBondContact O-N 3.47Å; V426-S428 VanDerWaalsContact C-N 3.34Å; V426-S428 PolarHBondContact O-N 3.23Å; V426-A429 PolarHBondContact O-N 3.1Å; V426-I430 HydrophobicContact CG1-CD1 4.44Å; V426-I430 WeakPolarHBondContact O-CG1 3.24Å; V426-I430 PolarHBondContact O-N 3.37Å
427S98.5Very high97.9Very high1 Ų145.4 Ų45.41%0.00723%0.233CC..Hα-helixtrans-56.8-46.4172.71750000112F297 E300 I423 K424 E425 I430 G431F297-S427 WeakPolarHBondContact CA-OG 3.26Å; F297-S427 PolarHBondContact N-OG 3.45Å; F297-S427 VanDerWaalsContact N-OG 3.14Å; E300-S427 PolarHBondContact OE2-OG 3.23Å; I423-S427 WeakPolarHBondContact O-CB 3.14Å; I423-S427 PolarHBondContact O-N 2.77Å; K424-S427 WeakPolarHBondContact O-CB 3.36Å; K424-S427 PolarHBondContact O-N 3.5Å; E425-S427 VanDerWaalsContact C-N 3.33Å; E425-S427 PolarHBondContact O-N 2.92Å; S427-I430 WeakPolarHBondContact O-CB 3.42Å; S427-I430 PolarHBondContact O-N 2.91Å; S427-G431 PolarHBondContact O-N 2.83Å; S427-G431 VanDerWaalsContact O-N 3.14Å
428S98.2Very high97.8Very high67 Ų6747.7 Ų47.747%0.46924%0.242SC..Hα-helixtrans-65.6-40.8179.6-55.80000111.6K424 E425 V426 I430 G431 E432K424-S428 WeakPolarHBondContact O-CB 3.37Å; K424-S428 PolarHBondContact O-N 2.92Å; K424-S428 PolarHBondContact O-OG 2.99Å; E425-S428 PolarHBondContact O-N 2.9Å; E425-S428 VanDerWaalsContact O-N 3.14Å; V426-S428 VanDerWaalsContact C-N 3.34Å; V426-S428 PolarHBondContact O-N 3.23Å; S428-I430 VanDerWaalsContact C-N 3.34Å; S428-I430 PolarHBondContact O-N 2.8Å; S428-G431 WeakPolarHBondContact O-CA 3.46Å; S428-G431 PolarHBondContact O-N 2.97Å; S428-G431 VanDerWaalsContact O-N 3.14Å; S428-E432 PolarHBondContact O-N 2.9Å
429A98.4Very high97.7Very high4 Ų455.1 Ų55.13%0.03328%0.277CS..Hα-helixtrans-63.4-36.7175.700000112.5I400 I416 V418 E425 V426 G431 E432 A433I400-A429 HydrophobicContact CD1-CB 4.21Å; I400-A429 WeakPolarHBondContact CD1-O 3.34Å; I400-A429 HydrophobicContact CG2-CB 4.25Å; I416-A429 HydrophobicContact CG2-CB 3.8Å; V418-A429 HydrophobicContact CG1-CB 3.5Å; E425-A429 WeakPolarHBondContact O-CB 3.41Å; E425-A429 PolarHBondContact O-N 3.31Å; V426-A429 PolarHBondContact O-N 3.1Å; A429-G431 VanDerWaalsContact C-N 3.34Å; A429-E432 PolarHBondContact O-N 2.9Å; A429-A433 VanDerWaalsContact O-CB 3.26Å; A429-A433 WeakPolarHBondContact O-CB 2.95Å; A429-A433 PolarHBondContact O-N 3.3Å
430I98.6Very high97.6Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-60.9-46.5171.7-68.6164.9000109.9I275 F297 L373 I400 V426 S427 S428 A433 L434I275-I430 HydrophobicContact CD1-CG2 3.64Å; F297-I430 HydrophobicContact CB-CG2 4.42Å; F297-I430 HydrophobicContact CD1-CG2 3.85Å; F297-I430 HydrophobicContact CD2-CB 4.15Å; F297-I430 HydrophobicContact CD2-CG2 3.8Å; F297-I430 HydrophobicContact CE1-CG2 4.05Å; F297-I430 HydrophobicContact CE2-CG2 4.01Å; F297-I430 HydrophobicContact CG-CB 4.25Å; F297-I430 HydrophobicContact CG-CG2 3.72Å; F297-I430 HydrophobicContact CZ-CG2 4.12Å; L373-I430 HydrophobicContact CD2-CD1 3.94Å; L373-I430 HydrophobicContact CD2-CG1 4.29Å; I400-I430 HydrophobicContact CD1-CB 4.5Å; I400-I430 HydrophobicContact CD1-CG1 3.98Å; V426-I430 HydrophobicContact CG1-CD1 4.44Å; V426-I430 WeakPolarHBondContact O-CG1 3.24Å; V426-I430 PolarHBondContact O-N 3.37Å; S427-I430 WeakPolarHBondContact O-CB 3.42Å; S427-I430 PolarHBondContact O-N 2.91Å; S428-I430 VanDerWaalsContact C-N 3.34Å; S428-I430 PolarHBondContact O-N 2.8Å; I430-A433 PolarHBondContact O-N 3.35Å; I430-L434 HydrophobicContact CG2-CD1 3.81Å; I430-L434 HydrophobicContact CG2-CG 4.42Å; I430-L434 WeakPolarHBondContact O-CB 3.48Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.25Å; I430-L434 PolarHBondContact O-N 3.12Å
431G97.9Very high97.6Very high10 Ų1057.2 Ų57.210%0.10329%0.285CS..Hα-helixtrans-60.5-44.417600000113.1S427 S428 A429 N435S427-G431 PolarHBondContact O-N 2.83Å; S427-G431 VanDerWaalsContact O-N 3.14Å; S428-G431 WeakPolarHBondContact O-CA 3.46Å; S428-G431 PolarHBondContact O-N 2.97Å; S428-G431 VanDerWaalsContact O-N 3.14Å; A429-G431 VanDerWaalsContact C-N 3.34Å; G431-N435 WeakPolarHBondContact O-CB 3.42Å; G431-N435 PolarHBondContact O-N 3.08Å; G431-N435 PolarHBondContact O-ND2 2.8Å
432E97.8Very high97.5Very high104 Ų10455.7 Ų55.749%0.48628%0.283SS..Hα-helixtrans-60.3-49.8175.1-175.1-174.5149.100111.3I416 S428 A429 L434 N435 M436I416-E432 HydrophobicContact CD1-CB 4.28Å; I416-E432 HydrophobicContact CD1-CG 4.09Å; S428-E432 PolarHBondContact O-N 2.9Å; A429-E432 PolarHBondContact O-N 2.9Å; E432-L434 PolarHBondContact O-N 3.17Å; E432-N435 CarbonylContact O-C 3.15Å; E432-N435 PolarHBondContact O-N 3.4Å; E432-M436 WeakPolarHBondContact O-CB 3.32Å; E432-M436 PolarHBondContact O-N 3.08Å
433A98.2Very high97.4Very high0 Ų057.9 Ų57.90%029%0.286CS..Hα-helixtrans-60.5-42-178.100000112.9V371 V398 I400 I416 A429 I430V371-A433 HydrophobicContact CG1-CB 3.99Å; V371-A433 HydrophobicContact CG2-CB 3.78Å; V398-A433 HydrophobicContact CB-CB 3.9Å; V398-A433 HydrophobicContact CG1-CB 3.69Å; V398-A433 HydrophobicContact CG2-CB 4.35Å; I400-A433 HydrophobicContact CD1-CB 3.83Å; I400-A433 HydrophobicContact CG1-CB 4.12Å; I416-A433 HydrophobicContact CD1-CB 4.06Å; A429-A433 VanDerWaalsContact O-CB 3.26Å; A429-A433 WeakPolarHBondContact O-CB 2.95Å; A429-A433 PolarHBondContact O-N 3.3Å; I430-A433 PolarHBondContact O-N 3.35Å
434L97.6Very high97.4Very high11 Ų1157.2 Ų57.26%0.05828%0.282CS..Hα-helixtrans-69.4-32.4179.4-69.7171.7000112.7K273 F297 W304 V308 V371 I430 E432K273-L434 HydrophobicContact CB-CD2 3.83Å; K273-L434 HydrophobicContact CG-CD2 4.21Å; F297-L434 HydrophobicContact CE1-CD1 3.84Å; F297-L434 HydrophobicContact CE2-CD1 4.23Å; F297-L434 HydrophobicContact CZ-CD1 3.45Å; F297-L434 VanDerWaalsContact CZ-CD1 3.45Å; W304-L434 HydrophobicContact CD2-CD1 4.21Å; W304-L434 HydrophobicContact CE3-CD1 4.29Å; W304-L434 HydrophobicContact CH2-CB 3.88Å; W304-L434 HydrophobicContact CZ2-CB 3.74Å; W304-L434 HydrophobicContact CZ3-CD1 4.49Å; V308-L434 HydrophobicContact CG2-CD1 4.02Å; V308-L434 HydrophobicContact CG2-CD2 4.2Å; V371-L434 HydrophobicContact CG2-CD2 3.91Å; V371-L434 HydrophobicContact CG2-CG 4.37Å; I430-L434 HydrophobicContact CG2-CD1 3.81Å; I430-L434 HydrophobicContact CG2-CG 4.42Å; I430-L434 WeakPolarHBondContact O-CB 3.48Å; I430-L434 VanDerWaalsContact O-CG 3.28Å; I430-L434 WeakPolarHBondContact O-CG 3.25Å; I430-L434 PolarHBondContact O-N 3.12Å; E432-L434 PolarHBondContact O-N 3.17Å
435N96.8Very high97.3Very high108 Ų10851.6 Ų51.658%0.57826%0.257SS*.Hα-helixtrans-95-2.2-179.8-68.1-63.2000114.2G431 E432 S437G431-N435 WeakPolarHBondContact O-CB 3.42Å; G431-N435 PolarHBondContact O-N 3.08Å; G431-N435 PolarHBondContact O-ND2 2.8Å; E432-N435 CarbonylContact O-C 3.15Å; E432-N435 PolarHBondContact O-N 3.4Å; N435-S437 PolarHBondContact O-N 3.4Å
436M97.1Very high97.2Very high20 Ų2055.4 Ų55.410%0.09927%0.273CS..  trans-61.1135.2-177.5-171.6178.1-72.300111.9V398 I416 E432 E440 K441 K444V398-M436 HydrophobicContact CG1-CE 4.05Å; V398-M436 HydrophobicContact CG1-SD 4.32Å; V398-M436 HydrophobicContact CG2-CB 4.33Å; V398-M436 HydrophobicContact CG2-CE 4.29Å; V398-M436 HydrophobicContact CG2-SD 3.62Å; I416-M436 HydrophobicContact CD1-CE 3.79Å; I416-M436 HydrophobicContact CG1-CE 4.22Å; E432-M436 WeakPolarHBondContact O-CB 3.32Å; E432-M436 PolarHBondContact O-N 3.08Å; M436-E440 HydrophobicContact CE-CG 4.35Å; M436-E440 HydrophobicContact CG-CB 3.85Å; M436-E440 HydrophobicContact CG-CG 3.74Å; M436-E440 HydrophobicContact SD-CB 4.31Å; M436-E440 HydrophobicContact SD-CG 3.76Å; M436-K441 HydrophobicContact CB-CG 4.19Å; M436-K441 HydrophobicContact CG-CG 3.89Å; M436-K441 WeakPolarHBondContact O-CE 3.31Å; M436-K441 HydrophobicContact SD-CG 3.82Å; M436-K444 HydrophobicContact CE-CD 3.9Å; M436-K444 HydrophobicContact SD-CD 3.88Å
437S96.9Very high97Very high68 Ų6858.4 Ų58.448%0.47629%0.288SS..  trans-64.7155.3178.571.80000111.5N435 E439 E440 K441N435-S437 PolarHBondContact O-N 3.4Å; S437-E439 VanDerWaalsContact C-N 3.28Å; S437-E439 PolarHBondContact O-N 3.3Å; S437-E440 PolarHBondContact O-N 2.77Å; S437-E440 PolarHBondContact OG-N 3.06Å; S437-K441 WeakPolarHBondContact O-CG 3.18Å; S437-K441 PolarHBondContact O-N 3.05Å
438H95.5Very high96.8Very high121 Ų12158.5 Ų58.556%0.5629%0.289SS*.Hα-helixtrans-60-39.4177.5-176.7-77.7000112.2E440 K441 E442H438-E440 PolarHBondContact O-N 2.96Å; H438-K441 WeakPolarHBondContact O-CB 3.33Å; H438-K441 PolarHBondContact O-N 2.95Å; H438-E442 IonicContact CE1-OE2 2.7Å; H438-E442 IonicContact ND1-OE2 2.66Å; H438-E442 WeakPolarHBondContact O-CB 3.32Å; H438-E442 PolarHBondContact O-N 3.07Å
439E95.9Very high96.7Very high158 Ų15858.1 Ų58.174%0.73828%0.279SS*.Hα-helixtrans-61.4-44.8179.1-64.9176-176.500111.9S437 E442 R443S437-E439 VanDerWaalsContact C-N 3.28Å; S437-E439 PolarHBondContact O-N 3.3Å; E439-E442 PolarHBondContact O-N 3.47Å; E439-R443 WeakPolarHBondContact O-CB 3.21Å; E439-R443 PolarHBondContact O-N 3.2Å
440E96.2Very high96.5Very high58 Ų5864.1 Ų64.127%0.27131%0.306SS..Hα-helixtrans-70-38.5179.2-179.860.6-171.800111.7M436 S437 H438 R443 K444M436-E440 HydrophobicContact CE-CG 4.35Å; M436-E440 HydrophobicContact CG-CB 3.85Å; M436-E440 HydrophobicContact CG-CG 3.74Å; M436-E440 HydrophobicContact SD-CB 4.31Å; M436-E440 HydrophobicContact SD-CG 3.76Å; S437-E440 PolarHBondContact O-N 2.77Å; S437-E440 PolarHBondContact OG-N 3.06Å; H438-E440 PolarHBondContact O-N 2.96Å; E440-R443 PolarHBondContact O-N 3.46Å; E440-R443 IonicContact OE1-CZ 3.4Å; E440-R443 IonicContact OE1-NE 3.87Å; E440-R443 IonicContact OE1-NH2 3.23Å; E440-R443 PolarHBondContact OE1-NH2 3.21Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 2.73Å; E440-R443 PolarHBondContact OE2-NE 2.9Å; E440-R443 IonicContact OE2-NH2 3.55Å; E440-R443 PolarHBondContact OE2-NH2 3.25Å; E440-K444 HydrophobicContact CG-CD 4.46Å; E440-K444 WeakPolarHBondContact O-CB 3.49Å; E440-K444 PolarHBondContact O-N 3.38Å; E440-K444 WeakPolarHBondContact OE1-CE 3.38Å
441K97Very high96.1Very high26 Ų2666.8 Ų66.811%0.11332%0.317CS..Hα-helixtrans-56.9-48.9172.1-78.3-178.6-176.7-178.20111.8K396 V398 M436 S437 H438 K444 H445K396-K441 HydrophobicContact CB-CB 4.2Å; K396-K441 WeakPolarHBondContact O-CB 3.46Å; V398-K441 HydrophobicContact CG2-CD 4.19Å; V398-K441 HydrophobicContact CG2-CG 3.78Å; M436-K441 HydrophobicContact CB-CG 4.19Å; M436-K441 HydrophobicContact CG-CG 3.89Å; M436-K441 WeakPolarHBondContact O-CE 3.31Å; M436-K441 HydrophobicContact SD-CG 3.82Å; S437-K441 WeakPolarHBondContact O-CG 3.18Å; S437-K441 PolarHBondContact O-N 3.05Å; H438-K441 WeakPolarHBondContact O-CB 3.33Å; H438-K441 PolarHBondContact O-N 2.95Å; K441-K444 PolarHBondContact O-N 3.31Å; K441-H445 VanDerWaalsContact O-CB 3.32Å; K441-H445 WeakPolarHBondContact O-CB 3.37Å; K441-H445 PolarHBondContact O-N 2.94Å
442E96.6Very high95.8Very high101 Ų10166.5 Ų66.547%0.47231%0.313SS..Hα-helixtrans-63.8-42.4179-173.9172.3-174.700111.8H438 E439 H445 K446H438-E442 IonicContact CE1-OE2 2.7Å; H438-E442 IonicContact ND1-OE2 2.66Å; H438-E442 WeakPolarHBondContact O-CB 3.32Å; H438-E442 PolarHBondContact O-N 3.07Å; E439-E442 PolarHBondContact O-N 3.47Å; E442-H445 PolarHBondContact O-N 3.3Å; E442-K446 VanDerWaalsContact O-CB 3.31Å; E442-K446 WeakPolarHBondContact O-CB 3.23Å; E442-K446 PolarHBondContact O-N 2.99Å
443R96.3Very high95.5Very high115 Ų11566.6 Ų66.643%0.43431%0.312SS..Hα-helixtrans-60.2-50.9176.3-170.4-167.870.376.4-1.3111.9E439 E440 K446 I447E439-R443 WeakPolarHBondContact O-CB 3.21Å; E439-R443 PolarHBondContact O-N 3.2Å; E440-R443 PolarHBondContact O-N 3.46Å; E440-R443 IonicContact OE1-CZ 3.4Å; E440-R443 IonicContact OE1-NE 3.87Å; E440-R443 IonicContact OE1-NH2 3.23Å; E440-R443 PolarHBondContact OE1-NH2 3.21Å; E440-R443 IonicContact OE2-CZ 2.77Å; E440-R443 IonicContact OE2-NE 2.73Å; E440-R443 PolarHBondContact OE2-NE 2.9Å; E440-R443 IonicContact OE2-NH2 3.55Å; E440-R443 PolarHBondContact OE2-NH2 3.25Å; R443-K446 PolarHBondContact O-N 2.79Å; R443-I447 WeakPolarHBondContact O-CG1 3.35Å; R443-I447 PolarHBondContact O-N 2.83Å
444K96.8Very high95Very high27 Ų2770.3 Ų70.312%0.11733%0.334CS..Hα-helixtrans-61.9-45.6178.4-81.8-176.6178.4-77.70111.8G414 A415 M436 E440 K441 K446 I447 N448G414-K444 WeakPolarHBondContact O-CB 3.44Å; A415-K444 PolarHBondContact O-NZ 3.09Å; M436-K444 HydrophobicContact CE-CD 3.9Å; M436-K444 HydrophobicContact SD-CD 3.88Å; E440-K444 HydrophobicContact CG-CD 4.46Å; E440-K444 WeakPolarHBondContact O-CB 3.49Å; E440-K444 PolarHBondContact O-N 3.38Å; E440-K444 WeakPolarHBondContact OE1-CE 3.38Å; K441-K444 PolarHBondContact O-N 3.31Å; K444-K446 PolarHBondContact O-N 3.02Å; K444-I447 PolarHBondContact O-N 3.15Å; K444-N448 PolarHBondContact O-N 2.84Å
445H97.4Very high94.4Very high15 Ų1573.4 Ų73.47%0.06935%0.349CS..Hα-helixtrans-59.3-46176.2179.4-92.5000111.6I389 Q392 K396 K441 E442 I447 N448 F449I389-H445 PolarHBondContact O-NE2 3.45Å; Q392-H445 PolarHBondContact O-CE1 3.41Å; Q392-H445 PolarHBondContact O-NE2 2.95Å; Q392-H445 VanDerWaalsContact O-NE2 3.12Å; K396-H445 HydrophobicContact CB-CB 4.34Å; K396-H445 HydrophobicContact CD-CB 3.84Å; K396-H445 WeakPolarHBondContact CD-ND1 3.47Å; K396-H445 PolarHBondContact NZ-CE1 2.92Å; K396-H445 PolarHBondContact NZ-ND1 3Å; K441-H445 VanDerWaalsContact O-CB 3.32Å; K441-H445 WeakPolarHBondContact O-CB 3.37Å; K441-H445 PolarHBondContact O-N 2.94Å; E442-H445 PolarHBondContact O-N 3.3Å; H445-I447 VanDerWaalsContact C-N 3.35Å; H445-I447 PolarHBondContact O-N 3.27Å; H445-N448 PolarHBondContact O-N 3.14Å; H445-F449 AromaticContact CE1-CD2 3.7Å; H445-F449 AromaticContact CE1-CG 3.72Å; H445-F449 AromaticContact NE2-CD2 3.95Å; H445-F449 WeakPolarHBondContact O-CB 3.42Å; H445-F449 PolarHBondContact O-N 3.14Å
446K95.5Very high93.9Very high148 Ų14869.2 Ų69.264%0.64333%0.328SS*.Hα-helixtrans-57.8-44.6-178.4-176.4178.4178.81800112.6E442 R443 K444 Q450E442-K446 VanDerWaalsContact O-CB 3.31Å; E442-K446 WeakPolarHBondContact O-CB 3.23Å; E442-K446 PolarHBondContact O-N 2.99Å; R443-K446 PolarHBondContact O-N 2.79Å; K444-K446 PolarHBondContact O-N 3.02Å; K446-Q450 WeakPolarHBondContact O-CB 3.47Å; K446-Q450 PolarHBondContact O-N 3.19Å; K446-Q450 VanDerWaalsContact O-N 3.08Å
447I93.2Very high93.4Very high64 Ų6468.4 Ų68.433%0.32832%0.324SS..Hα-helixtrans-60.8-53.8178.5-66.9167.2000110.2A413 R443 K444 H445 F449 Q450 Y451A413-I447 HydrophobicContact CB-CG2 3.91Å; R443-I447 WeakPolarHBondContact O-CG1 3.35Å; R443-I447 PolarHBondContact O-N 2.83Å; K444-I447 PolarHBondContact O-N 3.15Å; H445-I447 VanDerWaalsContact C-N 3.35Å; H445-I447 PolarHBondContact O-N 3.27Å; I447-F449 PolarHBondContact O-N 3.16Å; I447-Q450 PolarHBondContact O-N 2.67Å; I447-Y451 PolarHBondContact O-N 3.22Å
448N95.3Very high92.9Very high4 Ų467 Ų672%0.02131%0.31CS..Hα-helixtrans-68.6-37-177-84.33000112.6I389 L411 G414 K444 H445 Q450 Y451 V452I389-N448 HydrophobicContact CD1-CB 3.73Å; I389-N448 HydrophobicContact CG1-CB 4.24Å; I389-N448 HydrophobicContact CG2-CB 4.24Å; L411-N448 HydrophobicContact CD2-CB 4.34Å; L411-N448 PolarHBondContact O-ND2 3.38Å; L411-N448 PolarHBondContact O-OD1 3.21Å; G414-N448 VanDerWaalsContact CA-CG 3.48Å; G414-N448 WeakPolarHBondContact CA-ND2 3.43Å; G414-N448 VanDerWaalsContact CA-OD1 3.29Å; G414-N448 WeakPolarHBondContact CA-OD1 3.29Å; G414-N448 PolarHBondContact N-OD1 2.99Å; G414-N448 PolarHBondContact O-ND2 3.09Å; K444-N448 PolarHBondContact O-N 2.84Å; H445-N448 PolarHBondContact O-N 3.14Å; N448-Q450 PolarHBondContact O-N 3.09Å; N448-Y451 WeakPolarHBondContact O-CB 3.4Å; N448-Y451 PolarHBondContact O-N 3.38Å; N448-V452 WeakPolarHBondContact O-CG2 3.12Å; N448-V452 PolarHBondContact O-N 3.04Å
449F96Very high92.4Very high59 Ų5965 Ų6526%0.25930%0.3SS..Hα-helixtrans-64.3-40177.1-174-99.8000111.7I250 I389 H445 I447 Y451 V452 K453I250-F449 HydrophobicContact CD1-CE2 3.99Å; I250-F449 HydrophobicContact CD1-CZ 3.79Å; I250-F449 HydrophobicContact CG1-CE2 4.41Å; I389-F449 HydrophobicContact CG2-CB 4.01Å; I389-F449 HydrophobicContact CG2-CD2 4.2Å; H445-F449 AromaticContact CE1-CD2 3.7Å; H445-F449 AromaticContact CE1-CG 3.72Å; H445-F449 AromaticContact NE2-CD2 3.95Å; H445-F449 WeakPolarHBondContact O-CB 3.42Å; H445-F449 PolarHBondContact O-N 3.14Å; I447-F449 PolarHBondContact O-N 3.16Å; F449-Y451 VanDerWaalsContact C-N 3.33Å; F449-Y451 PolarHBondContact O-N 2.9Å; F449-V452 PolarHBondContact O-N 2.83Å; F449-K453 HydrophobicContact CE1-CD 4.38Å; F449-K453 WeakPolarHBondContact O-CB 3.11Å; F449-K453 PolarHBondContact O-N 3.15Å
450Q93.5Very high92.1Very high129 Ų12957.7 Ų57.760%0.60327%0.266SS*.Hα-helixtrans-61.8-41.7173.7-176.7175.6-500111.6K446 I447 N448 K453 T454K446-Q450 WeakPolarHBondContact O-CB 3.47Å; K446-Q450 PolarHBondContact O-N 3.19Å; K446-Q450 VanDerWaalsContact O-N 3.08Å; I447-Q450 PolarHBondContact O-N 2.67Å; N448-Q450 PolarHBondContact O-N 3.09Å; Q450-K453 PolarHBondContact O-N 3.13Å; Q450-T454 WeakPolarHBondContact O-CG2 3.49Å; Q450-T454 PolarHBondContact O-N 2.61Å; Q450-T454 VanDerWaalsContact O-N 3.15Å; Q450-T454 PolarHBondContact O-OG1 3.09Å
451Y91Very high91.7Very high57 Ų5754.9 Ų54.922%0.22425%0.253CS..Hα-helixtrans-62.1-52.4175.8-174-83.1000111.6S410 L411 I447 N448 F449 K453 T454 H455S410-Y451 WeakPolarHBondContact CB-OH 3.49Å; S410-Y451 PolarHBondContact OG-OH 2.89Å; L411-Y451 HydrophobicContact CD2-CD1 3.71Å; L411-Y451 HydrophobicContact CD2-CE1 4.43Å; L411-Y451 HydrophobicContact CD2-CG 4.26Å; I447-Y451 PolarHBondContact O-N 3.22Å; N448-Y451 WeakPolarHBondContact O-CB 3.4Å; N448-Y451 PolarHBondContact O-N 3.38Å; F449-Y451 VanDerWaalsContact C-N 3.33Å; F449-Y451 PolarHBondContact O-N 2.9Å; Y451-K453 PolarHBondContact O-N 3.39Å; Y451-T454 PolarHBondContact O-N 2.87Å; Y451-T454 VanDerWaalsContact O-N 3.1Å; Y451-T454 PolarHBondContact O-OG1 2.92Å; Y451-H455 HydrophobicContact CD1-CB 4.31Å; Y451-H455 AromaticContact CD2-CE1 3.81Å; Y451-H455 AromaticContact CD2-ND1 3.65Å; Y451-H455 HydrophobicContact CE1-CB 3.83Å; Y451-H455 AromaticContact CE1-CG 3.93Å; Y451-H455 AromaticContact CE2-CE1 3.62Å; Y451-H455 AromaticContact CE2-CG 3.91Å; Y451-H455 AromaticContact CE2-ND1 3.6Å; Y451-H455 AromaticContact CE2-NE2 3.93Å; Y451-H455 AromaticContact CG-ND1 3.94Å; Y451-H455 AromaticContact CZ-CD2 3.96Å; Y451-H455 AromaticContact CZ-CG 3.67Å; Y451-H455 AromaticContact CZ-ND1 3.83Å; Y451-H455 PolarHBondContact O-N 2.88Å; Y451-H455 PolarHBondContact O-ND1 3.35Å
452V92.1Very high91.2Very high3 Ų356.9 Ų56.92%0.01827%0.265CS..Hα-helixtrans-59.5-33.8-179.5170.10000111.8I244 P246 I389 L411 N448 F449I244-V452 HydrophobicContact CD1-CG1 4.04Å; I244-V452 HydrophobicContact CG1-CG1 4.01Å; P246-V452 HydrophobicContact CB-CG1 4.14Å; I389-V452 HydrophobicContact CB-CG2 4.24Å; I389-V452 HydrophobicContact CD1-CG2 4.09Å; I389-V452 HydrophobicContact CG2-CB 4.38Å; I389-V452 HydrophobicContact CG2-CG2 4.01Å; L411-V452 HydrophobicContact CD2-CG2 3.91Å; N448-V452 WeakPolarHBondContact O-CG2 3.12Å; N448-V452 PolarHBondContact O-N 3.04Å; F449-V452 PolarHBondContact O-N 2.83Å
453K91.1Very high90.6Very high106 Ų10655.2 Ų55.246%0.46126%0.259SS..Hα-helixtrans-74.2-32.2178.2-153.2-179.8-172177.10113.6E247 F449 Q450 Y451E247-K453 WeakPolarHBondContact OE1-CE 3.13Å; E247-K453 IonicContact OE1-NZ 2.72Å; E247-K453 PolarHBondContact OE1-NZ 2.99Å; F449-K453 HydrophobicContact CE1-CD 4.38Å; F449-K453 WeakPolarHBondContact O-CB 3.11Å; F449-K453 PolarHBondContact O-N 3.15Å; Q450-K453 PolarHBondContact O-N 3.13Å; Y451-K453 PolarHBondContact O-N 3.39Å
454T86.8Confident90.2Very high78 Ų7849.8 Ų49.848%0.47924%0.239SC..Hα-helixtrans-88.7-33.5-176.947.30000112.8Q450 Y451Q450-T454 WeakPolarHBondContact O-CG2 3.49Å; Q450-T454 PolarHBondContact O-N 2.61Å; Q450-T454 VanDerWaalsContact O-N 3.15Å; Q450-T454 PolarHBondContact O-OG1 3.09Å; Y451-T454 PolarHBondContact O-N 2.87Å; Y451-T454 VanDerWaalsContact O-N 3.1Å; Y451-T454 PolarHBondContact O-OG1 2.92Å
455H85.2Confident89.7Confident77 Ų7748.7 Ų48.736%0.35623%0.234SC..SBendtrans-105.166.6-178.7-59.376.6000109.8G243 Y451G243-H455 VanDerWaalsContact CA-O 3.26Å; G243-H455 WeakPolarHBondContact CA-O 3.43Å; Y451-H455 HydrophobicContact CD1-CB 4.31Å; Y451-H455 AromaticContact CD2-CE1 3.81Å; Y451-H455 AromaticContact CD2-ND1 3.65Å; Y451-H455 HydrophobicContact CE1-CB 3.83Å; Y451-H455 AromaticContact CE1-CG 3.93Å; Y451-H455 AromaticContact CE2-CE1 3.62Å; Y451-H455 AromaticContact CE2-CG 3.91Å; Y451-H455 AromaticContact CE2-ND1 3.6Å; Y451-H455 AromaticContact CE2-NE2 3.93Å; Y451-H455 AromaticContact CG-ND1 3.94Å; Y451-H455 AromaticContact CZ-CD2 3.96Å; Y451-H455 AromaticContact CZ-CG 3.67Å; Y451-H455 AromaticContact CZ-ND1 3.83Å; Y451-H455 PolarHBondContact O-N 2.88Å; Y451-H455 PolarHBondContact O-ND1 3.35Å
456S87.5Confident89Confident20 Ų2054.8 Ų54.814%0.1426%0.26CS..  trans-78.2167.2179.270.80000112.1I244 Q458 Q459 W460I244-S456 CarbonylContact O-C 3.55Å; I244-S456 VanDerWaalsContact O-CA 3.25Å; I244-S456 WeakPolarHBondContact O-CA 3.37Å; I244-S456 WeakPolarHBondContact O-CB 3.16Å; S456-Q458 PolarHBondContact O-N 2.93Å; S456-Q458 PolarHBondContact OG-N 3.18Å; S456-Q459 PolarHBondContact O-N 3.24Å; S456-Q459 PolarHBondContact OG-N 3.44Å; S456-Q459 VanDerWaalsContact OG-N 3.17Å; S456-W460 PolarHBondContact O-N 3.34Å; S456-W460 VanDerWaalsContact O-N 3.08Å
457T86.9Confident88.1Confident2 Ų250.3 Ų50.31%0.01224%0.243CC..Hα-helixtrans-61.6-31.8171.6-37.30000111.6A37 I242 G243 I244 W460 A461A37-T457 HydrophobicContact CB-CG2 3.26Å; I242-T457 HydrophobicContact CD1-CG2 4.12Å; I242-T457 HydrophobicContact CG1-CG2 3.93Å; G243-T457 PolarHBondContact O-OG1 2.8Å; I244-T457 WeakPolarHBondContact CA-OG1 3.48Å; I244-T457 PolarHBondContact N-OG1 3.49Å; I244-T457 PolarHBondContact O-N 3.02Å; I244-T457 PolarHBondContact O-OG1 3.28Å; T457-W460 HydrophobicContact CG2-CE3 3.93Å; T457-W460 HydrophobicContact CG2-CZ3 4.36Å; T457-A461 PolarHBondContact O-N 3.46Å; T457-A461 VanDerWaalsContact O-N 3.08Å
458Q85Confident87.3Confident40 Ų4047.2 Ų47.219%0.18723%0.228CC..Hα-helixtrans-65.2-46.9175.6-173.162.35700111.3G40 S456 W460 A461 D462G40-Q458 PolarHBondContact O-OE1 3.39Å; S456-Q458 PolarHBondContact O-N 2.93Å; S456-Q458 PolarHBondContact OG-N 3.18Å; Q458-W460 VanDerWaalsContact C-N 3.32Å; Q458-W460 PolarHBondContact O-N 2.96Å; Q458-A461 PolarHBondContact O-N 3.19Å; Q458-A461 VanDerWaalsContact O-N 3.12Å; Q458-D462 PolarHBondContact NE2-OD1 3.49Å; Q458-D462 VanDerWaalsContact O-CG 3.24Å; Q458-D462 PolarHBondContact O-N 3.28Å
459Q85.8Confident86.4Confident77 Ų7749.2 Ų49.236%0.3624%0.238SC..Hα-helixtrans-59.7-43.4177.3-175.260.245.700111.4S456 A461 D462 D463S456-Q459 PolarHBondContact O-N 3.24Å; S456-Q459 PolarHBondContact OG-N 3.44Å; S456-Q459 VanDerWaalsContact OG-N 3.17Å; Q459-A461 VanDerWaalsContact C-N 3.33Å; Q459-A461 PolarHBondContact O-N 3.26Å; Q459-D462 PolarHBondContact O-N 3.07Å; Q459-D463 PolarHBondContact NE2-OD1 2.65Å; Q459-D463 PolarHBondContact NE2-OD2 3.24Å; Q459-D463 WeakPolarHBondContact O-CB 3.46Å; Q459-D463 VanDerWaalsContact O-CG 3.3Å; Q459-D463 PolarHBondContact O-N 3.37Å
460W89.6Confident85.1Confident5 Ų549.2 Ų49.22%0.01924%0.243CC..Hα-helixtrans-55.7-45.2173.7164.283.4000112.6L34 L38 W145 H147 F170 H172 F240 I242 S456 T457 Q458 F464L34-W460 HydrophobicContact CD1-CH2 3.58Å; L34-W460 HydrophobicContact CD1-CZ3 3.76Å; L38-W460 HydrophobicContact CD2-CZ3 4.31Å; W145-W460 HydrophobicContact CH2-CE3 4.24Å; W145-W460 AromaticContact CH2-CH2 3.46Å; W145-W460 HydrophobicContact CH2-CH2 3.46Å; W145-W460 VanDerWaalsContact CH2-CH2 3.46Å; W145-W460 AromaticContact CH2-CZ2 3.85Å; W145-W460 HydrophobicContact CH2-CZ2 3.85Å; W145-W460 AromaticContact CH2-CZ3 3.68Å; W145-W460 HydrophobicContact CH2-CZ3 3.68Å; W145-W460 AromaticContact CZ2-CH2 3.52Å; W145-W460 HydrophobicContact CZ2-CH2 3.52Å; W145-W460 AromaticContact CZ2-CZ2 3.58Å; W145-W460 HydrophobicContact CZ2-CZ2 3.58Å; W145-W460 HydrophobicContact CZ2-CZ3 4.22Å; W145-W460 HydrophobicContact CZ3-CH2 4.46Å; W145-W460 HydrophobicContact CZ3-CZ3 4.49Å; H147-W460 AromaticContact CE1-CH2 3.96Å; F170-W460 HydrophobicContact CD1-CZ2 4.01Å; F170-W460 HydrophobicContact CD2-CZ2 4.28Å; F170-W460 HydrophobicContact CE1-CZ2 4.08Å; F170-W460 HydrophobicContact CE2-CZ2 4.37Å; F170-W460 AromaticContact CE2-NE1 3.53Å; F170-W460 HydrophobicContact CG-CZ2 4.13Å; F170-W460 HydrophobicContact CZ-CZ2 4.27Å; F170-W460 AromaticContact CZ-NE1 3.5Å; H172-W460 AromaticContact CE1-CZ2 3.96Å; F240-W460 VanDerWaalsContact CB-CD1 3.49Å; F240-W460 PolarHBondContact O-NE1 2.97Å; I242-W460 HydrophobicContact CB-CD2 4.21Å; I242-W460 HydrophobicContact CB-CG 4.14Å; I242-W460 HydrophobicContact CD1-CD2 4.08Å; I242-W460 HydrophobicContact CD1-CE3 4.04Å; I242-W460 HydrophobicContact CD1-CH2 4.02Å; I242-W460 HydrophobicContact CD1-CZ2 4.05Å; I242-W460 HydrophobicContact CD1-CZ3 4.02Å; I242-W460 HydrophobicContact CG1-CD2 3.79Å; I242-W460 HydrophobicContact CG1-CE3 4.05Å; I242-W460 HydrophobicContact CG1-CG 4.05Å; S456-W460 PolarHBondContact O-N 3.34Å; S456-W460 VanDerWaalsContact O-N 3.08Å; T457-W460 HydrophobicContact CG2-CE3 3.93Å; T457-W460 HydrophobicContact CG2-CZ3 4.36Å; Q458-W460 VanDerWaalsContact C-N 3.32Å; Q458-W460 PolarHBondContact O-N 2.96Å; W460-F464 WeakPolarHBondContact O-CB 3.44Å; W460-F464 PolarHBondContact O-N 2.81Å; W460-F464 VanDerWaalsContact O-N 3.15Å
461A87.9Confident83.6Confident0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-68.3-43.7179.500000111.8A37 L41 W145 T457 Q458 Q459 F464 M465A37-A461 HydrophobicContact CB-CB 4.5Å; L41-A461 HydrophobicContact CD1-CB 4.33Å; L41-A461 HydrophobicContact CD2-CB 3.94Å; L41-A461 HydrophobicContact CG-CB 4.27Å; W145-A461 HydrophobicContact CH2-CB 4.34Å; W145-A461 HydrophobicContact CZ3-CB 4.34Å; T457-A461 PolarHBondContact O-N 3.46Å; T457-A461 VanDerWaalsContact O-N 3.08Å; Q458-A461 PolarHBondContact O-N 3.19Å; Q458-A461 VanDerWaalsContact O-N 3.12Å; Q459-A461 VanDerWaalsContact C-N 3.33Å; Q459-A461 PolarHBondContact O-N 3.26Å; A461-F464 PolarHBondContact O-N 2.83Å; A461-M465 WeakPolarHBondContact O-CB 3.38Å; A461-M465 VanDerWaalsContact O-CG 3.24Å; A461-M465 WeakPolarHBondContact O-CG 3.29Å; A461-M465 PolarHBondContact O-N 3.05Å
462D86Confident82.1Confident67 Ų6741.2 Ų41.236%0.35821%0.208SC..Hα-helixtrans-62.3-43.9178.8-66.2-16.3000111.3L41 Q458 Q459 M465 K466L41-D462 WeakPolarHBondContact CD2-OD1 3.32Å; Q458-D462 PolarHBondContact NE2-OD1 3.49Å; Q458-D462 VanDerWaalsContact O-CG 3.24Å; Q458-D462 PolarHBondContact O-N 3.28Å; Q459-D462 PolarHBondContact O-N 3.07Å; D462-M465 PolarHBondContact O-N 3.15Å; D462-K466 WeakPolarHBondContact O-CB 3.49Å; D462-K466 PolarHBondContact O-N 3.31Å
463D84.5Confident80.2Confident66 Ų6646.2 Ų46.235%0.35323%0.234SC..Hα-helixtrans-65.3-43.8179-72.8-29000112.2F240 Q459 L467F240-D463 HydrophobicContact CD1-CB 4.06Å; F240-D463 HydrophobicContact CE1-CB 4.21Å; Q459-D463 PolarHBondContact NE2-OD1 2.65Å; Q459-D463 PolarHBondContact NE2-OD2 3.24Å; Q459-D463 WeakPolarHBondContact O-CB 3.46Å; Q459-D463 VanDerWaalsContact O-CG 3.3Å; Q459-D463 PolarHBondContact O-N 3.37Å; D463-L467 PolarHBondContact O-N 3.02Å
464F87.2Confident78.2Confident1 Ų143.3 Ų43.30%0.00423%0.226CC..Hα-helixtrans-62.7-46176.2-172.7-84.8000111.2W145 F170 L199 F240 W460 A461 L467 T468W145-F464 AromaticContact CD1-CE1 3.59Å; W145-F464 AromaticContact CD1-CZ 3.89Å; W145-F464 AromaticContact CD2-CD1 3.82Å; W145-F464 HydrophobicContact CD2-CD1 3.82Å; W145-F464 AromaticContact CD2-CE1 3.79Å; W145-F464 HydrophobicContact CD2-CE1 3.79Å; W145-F464 AromaticContact CE2-CD1 3.33Å; W145-F464 AromaticContact CE2-CE1 3.34Å; W145-F464 AromaticContact CE2-CG 3.89Å; W145-F464 AromaticContact CE2-CZ 3.89Å; W145-F464 HydrophobicContact CE3-CD1 4.22Å; W145-F464 HydrophobicContact CG-CD1 4.45Å; W145-F464 AromaticContact CG-CE1 3.94Å; W145-F464 HydrophobicContact CG-CE1 3.94Å; W145-F464 HydrophobicContact CH2-CB 3.91Å; W145-F464 AromaticContact CH2-CD1 3.83Å; W145-F464 HydrophobicContact CH2-CD1 3.83Å; W145-F464 AromaticContact CH2-CG 3.94Å; W145-F464 HydrophobicContact CH2-CG 3.94Å; W145-F464 HydrophobicContact CZ2-CB 3.9Å; W145-F464 AromaticContact CZ2-CD1 3.36Å; W145-F464 HydrophobicContact CZ2-CD1 3.36Å; W145-F464 HydrophobicContact CZ2-CD2 4Å; W145-F464 AromaticContact CZ2-CE1 3.85Å; W145-F464 HydrophobicContact CZ2-CE1 3.85Å; W145-F464 HydrophobicContact CZ2-CE2 4.42Å; W145-F464 AromaticContact CZ2-CG 3.46Å; W145-F464 HydrophobicContact CZ2-CG 3.46Å; W145-F464 VanDerWaalsContact CZ2-CG 3.46Å; W145-F464 HydrophobicContact CZ2-CZ 4.35Å; W145-F464 HydrophobicContact CZ3-CD1 4.21Å; W145-F464 AromaticContact NE1-CD1 3.71Å; W145-F464 AromaticContact NE1-CE1 3.19Å; W145-F464 AromaticContact NE1-CE2 3.99Å; W145-F464 AromaticContact NE1-CZ 3.35Å; F170-F464 HydrophobicContact CB-CE2 4.23Å; F170-F464 AromaticContact CD2-CD2 3.9Å; F170-F464 HydrophobicContact CD2-CD2 3.9Å; F170-F464 AromaticContact CD2-CE2 3.84Å; F170-F464 HydrophobicContact CD2-CE2 3.84Å; L199-F464 HydrophobicContact CD2-CD1 4.4Å; L199-F464 HydrophobicContact CD2-CD2 3.92Å; L199-F464 HydrophobicContact CD2-CE1 4.16Å; L199-F464 HydrophobicContact CD2-CE2 3.65Å; L199-F464 HydrophobicContact CD2-CG 4.28Å; L199-F464 HydrophobicContact CD2-CZ 3.79Å; L199-F464 HydrophobicContact CG-CE2 3.99Å; L199-F464 HydrophobicContact CG-CZ 4.09Å; F240-F464 HydrophobicContact CD1-CB 4.37Å; F240-F464 AromaticContact CD2-CD2 3.7Å; F240-F464 HydrophobicContact CD2-CD2 3.7Å; F240-F464 HydrophobicContact CD2-CE2 4.38Å; F240-F464 HydrophobicContact CE1-CB 4.37Å; F240-F464 AromaticContact CE2-CD2 3.57Å; F240-F464 HydrophobicContact CE2-CD2 3.57Å; F240-F464 HydrophobicContact CE2-CE2 4.1Å; F240-F464 HydrophobicContact CG-CD2 4.26Å; F240-F464 HydrophobicContact CZ-CD2 4.05Å; W460-F464 WeakPolarHBondContact O-CB 3.44Å; W460-F464 PolarHBondContact O-N 2.81Å; W460-F464 VanDerWaalsContact O-N 3.15Å; A461-F464 PolarHBondContact O-N 2.83Å; F464-L467 PolarHBondContact O-N 3.5Å; F464-T468 WeakPolarHBondContact CE1-OG1 3.45Å; F464-T468 WeakPolarHBondContact O-CB 3.36Å; F464-T468 PolarHBondContact O-N 3.39Å; F464-T468 PolarHBondContact O-OG1 3.13Å
465M86.5Confident76.3Confident4 Ų441.5 Ų41.52%0.0222%0.217CC..Hα-helixtrans-67.5-42.5-179.4-72.2-58.9-55.800112L6 L41 F44 V143 W145 A461 D462 L467 T468 L469L6-M465 HydrophobicContact CD1-CE 4.06Å; L6-M465 HydrophobicContact CD1-SD 3.96Å; L6-M465 HydrophobicContact CD2-CE 4.42Å; L6-M465 HydrophobicContact CD2-SD 4.12Å; L41-M465 HydrophobicContact CD1-CG 4.18Å; L41-M465 HydrophobicContact CD2-CG 4.44Å; F44-M465 HydrophobicContact CD1-CE 4.22Å; F44-M465 HydrophobicContact CD2-CE 4.47Å; F44-M465 HydrophobicContact CE1-CE 3.71Å; F44-M465 HydrophobicContact CE2-CE 4.01Å; F44-M465 HydrophobicContact CZ-CE 3.66Å; V143-M465 HydrophobicContact CB-CE 4.26Å; V143-M465 HydrophobicContact CG1-CE 3.99Å; V143-M465 HydrophobicContact CG2-CE 4.32Å; W145-M465 HydrophobicContact CE3-SD 3.93Å; W145-M465 HydrophobicContact CZ3-CG 4.23Å; W145-M465 HydrophobicContact CZ3-SD 4.25Å; A461-M465 WeakPolarHBondContact O-CB 3.38Å; A461-M465 VanDerWaalsContact O-CG 3.24Å; A461-M465 WeakPolarHBondContact O-CG 3.29Å; A461-M465 PolarHBondContact O-N 3.05Å; D462-M465 PolarHBondContact O-N 3.15Å; M465-L467 PolarHBondContact O-N 2.92Å; M465-T468 PolarHBondContact O-N 2.83Å; M465-L469 WeakPolarHBondContact O-CB 3.44Å; M465-L469 VanDerWaalsContact O-CG 3.27Å; M465-L469 WeakPolarHBondContact O-CG 3.12Å; M465-L469 PolarHBondContact O-N 2.91Å
466K82.2Confident74.3Confident143 Ų14342.3 Ų42.362%0.62222%0.219SC*.Hα-helixtrans-59.3-46.6175.6-177.8-179.6178.5-176.50111.1D462 T470D462-K466 WeakPolarHBondContact O-CB 3.49Å; D462-K466 PolarHBondContact O-N 3.31Å; K466-T470 VanDerWaalsContact O-CB 3.31Å; K466-T470 WeakPolarHBondContact O-CB 3.21Å; K466-T470 PolarHBondContact O-N 3.12Å; K466-T470 PolarHBondContact O-OG1 3.34Å
467L77Confident71.6Confident54 Ų5446.7 Ų46.728%0.28324%0.241SC..Hα-helixtrans-67.9-42.7178.3-168.665.5000111.2L199 A238 F240 D463 F464 M465 L469 T470 N471L199-L467 HydrophobicContact CD1-CD2 3.87Å; L199-L467 HydrophobicContact CD1-CG 4.49Å; L199-L467 HydrophobicContact CD2-CB 4.24Å; L199-L467 HydrophobicContact CD2-CD2 4.26Å; L199-L467 HydrophobicContact CD2-CG 4.38Å; A238-L467 HydrophobicContact CB-CD2 3.74Å; F240-L467 HydrophobicContact CE1-CD2 4.44Å; F240-L467 HydrophobicContact CZ-CB 4.28Å; F240-L467 HydrophobicContact CZ-CD2 3.7Å; D463-L467 PolarHBondContact O-N 3.02Å; F464-L467 PolarHBondContact O-N 3.5Å; M465-L467 PolarHBondContact O-N 2.92Å; L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 3.34Å; L467-T470 PolarHBondContact O-N 2.65Å; L467-N471 WeakPolarHBondContact CD1-OD1 3.26Å; L467-N471 VanDerWaalsContact O-CB 3.31Å; L467-N471 WeakPolarHBondContact O-CB 3.42Å; L467-N471 PolarHBondContact O-N 3.02Å; L467-N471 PolarHBondContact O-ND2 3Å; L467-N471 PolarHBondContact O-OD1 3.33Å; L467-N471 VanDerWaalsContact O-OD1 3.07Å
468T77.1Confident69.2Low0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-53.5-52.5175.7-60.10000110.5V143 L199 F464 M465 T470 N471 I472V143-T468 HydrophobicContact CG1-CG2 4.15Å; L199-T468 VanDerWaalsContact CD2-OG1 3.25Å; L199-T468 WeakPolarHBondContact CD2-OG1 3.49Å; F464-T468 WeakPolarHBondContact CE1-OG1 3.45Å; F464-T468 WeakPolarHBondContact O-CB 3.36Å; F464-T468 PolarHBondContact O-N 3.39Å; F464-T468 PolarHBondContact O-OG1 3.13Å; M465-T468 PolarHBondContact O-N 2.83Å; T468-T470 PolarHBondContact O-N 3.39Å; T468-N471 WeakPolarHBondContact O-CB 3.29Å; T468-N471 PolarHBondContact O-N 3.21Å; T468-I472 HydrophobicContact CG2-CD1 3.69Å; T468-I472 WeakPolarHBondContact O-CD1 3.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.5Å; T468-I472 PolarHBondContact O-N 3.47Å
469L76.3Confident66.8Low46 Ų4654.3 Ų54.324%0.24128%0.279CS..Hα-helixtrans-67.1-38.4-179-65.9166000112.7F44 V143 M465 L467 I472 L473F44-L469 HydrophobicContact CE1-CD1 4.37Å; F44-L469 HydrophobicContact CZ-CD1 3.67Å; V143-L469 HydrophobicContact CG2-CD2 3.94Å; M465-L469 WeakPolarHBondContact O-CB 3.44Å; M465-L469 VanDerWaalsContact O-CG 3.27Å; M465-L469 WeakPolarHBondContact O-CG 3.12Å; M465-L469 PolarHBondContact O-N 2.91Å; L467-L469 VanDerWaalsContact C-N 3.34Å; L467-L469 PolarHBondContact O-N 3.34Å; L469-I472 PolarHBondContact O-N 3.3Å; L469-L473 WeakPolarHBondContact O-CB 3.18Å; L469-L473 VanDerWaalsContact O-CG 3.28Å; L469-L473 WeakPolarHBondContact O-CG 3.39Å; L469-L473 PolarHBondContact O-N 3.34Å
470T68.6Low64.4Low58 Ų5854.8 Ų54.836%0.35628%0.282SS..Hα-helixtrans-65.4-42.7176.2-54.60000110.8K466 L467 T468 I472 L473 C474K466-T470 VanDerWaalsContact O-CB 3.31Å; K466-T470 WeakPolarHBondContact O-CB 3.21Å; K466-T470 PolarHBondContact O-N 3.12Å; K466-T470 PolarHBondContact O-OG1 3.34Å; L467-T470 PolarHBondContact O-N 2.65Å; T468-T470 PolarHBondContact O-N 3.39Å; T470-I472 VanDerWaalsContact C-N 3.26Å; T470-I472 PolarHBondContact O-N 3.01Å; T470-L473 PolarHBondContact O-N 3.21Å; T470-L473 VanDerWaalsContact O-N 3.17Å; T470-C474 WeakPolarHBondContact O-CB 3.31Å; T470-C474 PolarHBondContact O-N 3.32Å; T470-C474 PolarHBondContact O-SG 2.87Å
471N62.1Low61.6Low8 Ų856.1 Ų56.14%0.04329%0.291CS..Hα-helixtrans-58.8-42175.1-66.3-5.8000110.8R236 L467 T468 C474 S475R236-N471 WeakPolarHBondContact CB-ND2 3.1Å; R236-N471 WeakPolarHBondContact CD-ND2 3.38Å; R236-N471 WeakPolarHBondContact CD-OD1 3.36Å; R236-N471 PolarHBondContact NH1-OD1 2.91Å; L467-N471 WeakPolarHBondContact CD1-OD1 3.26Å; L467-N471 VanDerWaalsContact O-CB 3.31Å; L467-N471 WeakPolarHBondContact O-CB 3.42Å; L467-N471 PolarHBondContact O-N 3.02Å; L467-N471 PolarHBondContact O-ND2 3Å; L467-N471 PolarHBondContact O-OD1 3.33Å; L467-N471 VanDerWaalsContact O-OD1 3.07Å; T468-N471 WeakPolarHBondContact O-CB 3.29Å; T468-N471 PolarHBondContact O-N 3.21Å; N471-C474 PolarHBondContact O-N 3.36Å; N471-S475 VanDerWaalsContact O-CB 3.26Å; N471-S475 WeakPolarHBondContact O-CB 3.32Å; N471-S475 PolarHBondContact O-N 2.86Å; N471-S475 PolarHBondContact O-OG 2.97Å
472I58.1Low59Low10 Ų1058.2 Ų58.25%0.05130%0.304CS..Hα-helixtrans-70.8-34.5178.8-65.2153.5000111.6K166 D198 T468 L469 T470 S475 K476K166-I472 HydrophobicContact CB-CD1 3.47Å; K166-I472 VanDerWaalsContact CB-CD1 3.47Å; K166-I472 HydrophobicContact CB-CG1 4.42Å; K166-I472 HydrophobicContact CD-CD1 3.74Å; K166-I472 HydrophobicContact CD-CG2 4.21Å; K166-I472 HydrophobicContact CG-CD1 3.5Å; K166-I472 HydrophobicContact CG-CG1 4.18Å; K166-I472 HydrophobicContact CG-CG2 4.02Å; D198-I472 HydrophobicContact CB-CG1 4.48Å; T468-I472 HydrophobicContact CG2-CD1 3.69Å; T468-I472 WeakPolarHBondContact O-CD1 3.47Å; T468-I472 WeakPolarHBondContact O-CG1 3.5Å; T468-I472 PolarHBondContact O-N 3.47Å; L469-I472 PolarHBondContact O-N 3.3Å; T470-I472 VanDerWaalsContact C-N 3.26Å; T470-I472 PolarHBondContact O-N 3.01Å; I472-S475 WeakPolarHBondContact CA-OG 3.31Å; I472-S475 PolarHBondContact O-OG 3.06Å; I472-K476 HydrophobicContact CG2-CD 4.32Å; I472-K476 HydrophobicContact CG2-CG 4.48Å; I472-K476 WeakPolarHBondContact O-CB 3.46Å; I472-K476 WeakPolarHBondContact O-CG 3.07Å; I472-K476 PolarHBondContact O-N 2.93Å
473L52Low56.5Low109 Ų10958.4 Ų58.457%0.57131%0.311SS*.Hα-helixtrans-70.6-40.8174.8-73168.4000111.1L469 T470 K476 L477L469-L473 WeakPolarHBondContact O-CB 3.18Å; L469-L473 VanDerWaalsContact O-CG 3.28Å; L469-L473 WeakPolarHBondContact O-CG 3.39Å; L469-L473 PolarHBondContact O-N 3.34Å; T470-L473 PolarHBondContact O-N 3.21Å; T470-L473 VanDerWaalsContact O-N 3.17Å; L473-K476 PolarHBondContact O-N 2.91Å; L473-L477 WeakPolarHBondContact O-CB 3.43Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.36Å; L473-L477 PolarHBondContact O-N 3.43Å
474C49Very low54Low44 Ų4457 Ų5730%0.29731%0.308SS..Hα-helixtrans-67.6-43.1174.2-73.20000111.7T470 N471 K476 L477 I478T470-C474 WeakPolarHBondContact O-CB 3.31Å; T470-C474 PolarHBondContact O-N 3.32Å; T470-C474 PolarHBondContact O-SG 2.87Å; N471-C474 PolarHBondContact O-N 3.36Å; C474-K476 VanDerWaalsContact C-N 3.33Å; C474-L477 PolarHBondContact O-N 3.05Å; C474-I478 WeakPolarHBondContact O-CB 3.46Å; C474-I478 VanDerWaalsContact O-CG1 3.28Å; C474-I478 WeakPolarHBondContact O-CG1 3.13Å; C474-I478 PolarHBondContact O-N 3.38Å
475S48Very low51.3Low41 Ų4158.7 Ų58.729%0.28732%0.316SS..Hα-helixtrans-68.1-33.4175.671.60000111.3N471 I472 I478 E479N471-S475 VanDerWaalsContact O-CB 3.26Å; N471-S475 WeakPolarHBondContact O-CB 3.32Å; N471-S475 PolarHBondContact O-N 2.86Å; N471-S475 PolarHBondContact O-OG 2.97Å; I472-S475 WeakPolarHBondContact CA-OG 3.31Å; I472-S475 PolarHBondContact O-OG 3.06Å; S475-I478 CarbonylContact O-C 3.56Å; S475-I478 PolarHBondContact O-N 3.08Å; S475-E479 WeakPolarHBondContact O-CA 3.4Å; S475-E479 WeakPolarHBondContact O-CB 3.4Å; S475-E479 WeakPolarHBondContact O-CG 3.37Å; S475-E479 PolarHBondContact O-N 2.98Å
476K42.2Very low48.8Very low93 Ų9362 Ų6240%0.40433%0.333SS..Hα-helixtrans-69.2-35.8168.5-82-177.1179.4-1680112.8I472 L473 C474 I478 E479 I480I472-K476 HydrophobicContact CG2-CD 4.32Å; I472-K476 HydrophobicContact CG2-CG 4.48Å; I472-K476 WeakPolarHBondContact O-CB 3.46Å; I472-K476 WeakPolarHBondContact O-CG 3.07Å; I472-K476 PolarHBondContact O-N 2.93Å; L473-K476 PolarHBondContact O-N 2.91Å; C474-K476 VanDerWaalsContact C-N 3.33Å; K476-I478 VanDerWaalsContact C-N 3.32Å; K476-E479 CarbonylContact O-C 3.44Å; K476-E479 PolarHBondContact O-N 3.29Å; K476-I480 HydrophobicContact CB-CD1 4.22Å; K476-I480 WeakPolarHBondContact O-CA 3.27Å; K476-I480 WeakPolarHBondContact O-CB 3.4Å; K476-I480 VanDerWaalsContact O-CD1 3.3Å; K476-I480 WeakPolarHBondContact O-CD1 3.33Å; K476-I480 WeakPolarHBondContact O-CG1 3.31Å; K476-I480 PolarHBondContact O-N 3.24Å
477L30.6Very low46.3Very low112 Ų11258.7 Ų58.759%0.58634%0.341SS*.Hα-helixtrans-66-42.5174.3-78.2164.6000109.8L473 C474 I480 T481L473-L477 WeakPolarHBondContact O-CB 3.43Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.36Å; L473-L477 PolarHBondContact O-N 3.43Å; C474-L477 PolarHBondContact O-N 3.05Å; L477-I480 PolarHBondContact O-N 2.78Å; L477-T481 WeakPolarHBondContact O-CB 3.47Å; L477-T481 WeakPolarHBondContact O-CG2 3.34Å; L477-T481 PolarHBondContact O-N 3.35Å; L477-T481 PolarHBondContact O-OG1 2.67Å
478I37.7Very low44.1Very low104 Ų10460.4 Ų60.453%0.53336%0.362SS..Hα-helixtrans-66-40.2172.7-64.7164.8000110.5C474 S475 K476 T481 T482C474-I478 WeakPolarHBondContact O-CB 3.46Å; C474-I478 VanDerWaalsContact O-CG1 3.28Å; C474-I478 WeakPolarHBondContact O-CG1 3.13Å; C474-I478 PolarHBondContact O-N 3.38Å; S475-I478 CarbonylContact O-C 3.56Å; S475-I478 PolarHBondContact O-N 3.08Å; K476-I478 VanDerWaalsContact C-N 3.32Å; I478-T481 WeakPolarHBondContact CA-OG1 3.32Å; I478-T481 PolarHBondContact O-OG1 3.27Å; I478-T482 HydrophobicContact CG2-CG2 4.06Å; I478-T482 VanDerWaalsContact O-CA 3.32Å; I478-T482 WeakPolarHBondContact O-CA 3.4Å; I478-T482 WeakPolarHBondContact O-CB 3.3Å; I478-T482 WeakPolarHBondContact O-CG2 3.44Å; I478-T482 PolarHBondContact O-N 3.49Å; I478-T482 PolarHBondContact O-OG1 3.15Å
479E35.3Very low41.8Very low99 Ų9962.5 Ų62.546%0.46338%0.384SS..Hα-helixtrans-75.5-18174.8-82.4-176.2175.200112.5S475 K476 T482 S483S475-E479 WeakPolarHBondContact O-CA 3.4Å; S475-E479 WeakPolarHBondContact O-CB 3.4Å; S475-E479 WeakPolarHBondContact O-CG 3.37Å; S475-E479 PolarHBondContact O-N 2.98Å; K476-E479 CarbonylContact O-C 3.44Å; K476-E479 PolarHBondContact O-N 3.29Å; E479-T482 VanDerWaalsContact CA-OG1 3.22Å; E479-T482 WeakPolarHBondContact CA-OG1 3.38Å; E479-S483 WeakPolarHBondContact O-CA 3.22Å; E479-S483 WeakPolarHBondContact O-CB 3.06Å; E479-S483 PolarHBondContact O-N 2.86Å; E479-S483 PolarHBondContact O-OG 2.86Å
480I34.7Very low39.9Very low86 Ų8666.7 Ų66.744%0.44141%0.406SS..Hα-helixtrans-96.5-25.3177.6-72.8164.2000110K476 L477 A484 K733K476-I480 HydrophobicContact CB-CD1 4.22Å; K476-I480 WeakPolarHBondContact O-CA 3.27Å; K476-I480 WeakPolarHBondContact O-CB 3.4Å; K476-I480 VanDerWaalsContact O-CD1 3.3Å; K476-I480 WeakPolarHBondContact O-CD1 3.33Å; K476-I480 WeakPolarHBondContact O-CG1 3.31Å; K476-I480 PolarHBondContact O-N 3.24Å; L477-I480 PolarHBondContact O-N 2.78Å; I480-A484 WeakPolarHBondContact O-CB 3.46Å; I480-A484 PolarHBondContact O-N 3.04Å; I480-K733 PolarHBondContact O-NZ 3.01Å
481T31.6Very low38.4Very low33 Ų3366.9 Ų66.920%0.20241%0.414CS..Hα-helixtrans-71.7-55.916052.20000107.7L477 I478 S483 A484 E485 L730L477-T481 WeakPolarHBondContact O-CB 3.47Å; L477-T481 WeakPolarHBondContact O-CG2 3.34Å; L477-T481 PolarHBondContact O-N 3.35Å; L477-T481 PolarHBondContact O-OG1 2.67Å; I478-T481 WeakPolarHBondContact CA-OG1 3.32Å; I478-T481 PolarHBondContact O-OG1 3.27Å; T481-S483 PolarHBondContact O-N 3.38Å; T481-A484 PolarHBondContact O-N 2.91Å; T481-E485 VanDerWaalsContact C-CD 3.45Å; T481-E485 WeakPolarHBondContact O-CB 3.34Å; T481-E485 WeakPolarHBondContact O-CG 3.4Å; T481-E485 PolarHBondContact O-N 2.64Å; T481-L730 HydrophobicContact CG2-CD2 3.64Å
482T32.1Very low37.5Very low45 Ų4570.7 Ų70.728%0.27645%0.446SS..Hα-helixtrans-67.6-37.9-179.165.50000112.8I478 E479 E485 L486I478-T482 HydrophobicContact CG2-CG2 4.06Å; I478-T482 VanDerWaalsContact O-CA 3.32Å; I478-T482 WeakPolarHBondContact O-CA 3.4Å; I478-T482 WeakPolarHBondContact O-CB 3.3Å; I478-T482 WeakPolarHBondContact O-CG2 3.44Å; I478-T482 PolarHBondContact O-N 3.49Å; I478-T482 PolarHBondContact O-OG1 3.15Å; E479-T482 VanDerWaalsContact CA-OG1 3.22Å; E479-T482 WeakPolarHBondContact CA-OG1 3.38Å; T482-E485 CarbonylContact O-C 3.57Å; T482-E485 VanDerWaalsContact O-C 3.25Å; T482-E485 WeakPolarHBondContact O-CA 3.48Å; T482-E485 PolarHBondContact O-N 3.32Å; T482-L486 HydrophobicContact CG2-CD1 4.48Å; T482-L486 VanDerWaalsContact O-CA 3.23Å; T482-L486 WeakPolarHBondContact O-CA 3.26Å; T482-L486 WeakPolarHBondContact O-CB 3.46Å; T482-L486 WeakPolarHBondContact O-CD1 3.46Å; T482-L486 WeakPolarHBondContact O-CG 3.33Å; T482-L486 PolarHBondContact O-N 3.42Å
483S32.8Very low37.2Very low70 Ų7071.6 Ų71.649%0.4945%0.452SS..Hα-helixtrans-74.4-28.5176-550000114.1E479 T481 E485 G487E479-S483 WeakPolarHBondContact O-CA 3.22Å; E479-S483 WeakPolarHBondContact O-CB 3.06Å; E479-S483 PolarHBondContact O-N 2.86Å; E479-S483 PolarHBondContact O-OG 2.86Å; T481-S483 PolarHBondContact O-N 3.38Å; S483-E485 VanDerWaalsContact C-N 3.34Å; S483-G487 PolarHBondContact O-N 2.96Å
484A32.2Very low37.8Very low37 Ų3771.4 Ų71.431%0.30645%0.451SS..Hα-helixtrans-75.5-30.4169.300000110.7I480 T481 E729I480-A484 WeakPolarHBondContact O-CB 3.46Å; I480-A484 PolarHBondContact O-N 3.04Å; T481-A484 PolarHBondContact O-N 2.91Å; A484-E729 VanDerWaalsContact CB-OE2 3.23Å; A484-E729 WeakPolarHBondContact CB-OE2 3.44Å
485E32Very low39.1Very low36 Ų3676.9 Ų76.917%0.16847%0.472CS..Hα-helixtrans-82-21.5170.8-66.3153.8-171.200112.7T481 T482 S483 A488 G489T481-E485 VanDerWaalsContact C-CD 3.45Å; T481-E485 WeakPolarHBondContact O-CB 3.34Å; T481-E485 WeakPolarHBondContact O-CG 3.4Å; T481-E485 PolarHBondContact O-N 2.64Å; T482-E485 CarbonylContact O-C 3.57Å; T482-E485 VanDerWaalsContact O-C 3.25Å; T482-E485 WeakPolarHBondContact O-CA 3.48Å; T482-E485 PolarHBondContact O-N 3.32Å; S483-E485 VanDerWaalsContact C-N 3.34Å; E485-A488 CarbonylContact O-C 3.6Å; E485-A488 PolarHBondContact O-N 2.78Å; E485-G489 WeakPolarHBondContact O-CA 3.43Å; E485-G489 PolarHBondContact O-N 3.45Å
486L32.4Very low40.7Very low73 Ų7375.4 Ų75.438%0.38246%0.461SS..Hα-helixtrans-94.8-26.1-175.8-100.3100.9000110.9T482 A488 G489 L490T482-L486 HydrophobicContact CG2-CD1 4.48Å; T482-L486 VanDerWaalsContact O-CA 3.23Å; T482-L486 WeakPolarHBondContact O-CA 3.26Å; T482-L486 WeakPolarHBondContact O-CB 3.46Å; T482-L486 WeakPolarHBondContact O-CD1 3.46Å; T482-L486 WeakPolarHBondContact O-CG 3.33Å; T482-L486 PolarHBondContact O-N 3.42Å; L486-A488 PolarHBondContact O-N 2.98Å; L486-A488 VanDerWaalsContact O-N 3.15Å; L486-G489 PolarHBondContact O-N 2.91Å; L486-L490 HydrophobicContact CD1-CD1 3.23Å; L486-L490 HydrophobicContact CD1-CG 4.42Å; L486-L490 HydrophobicContact CD2-CB 3.6Å; L486-L490 HydrophobicContact CD2-CD1 3.65Å; L486-L490 HydrophobicContact CD2-CG 4.12Å; L486-L490 HydrophobicContact CG-CB 3.63Å; L486-L490 HydrophobicContact CG-CD1 3.3Å; L486-L490 HydrophobicContact CG-CG 4.02Å
487G30Very low42.7Very low75 Ų7572.9 Ų72.977%0.77345%0.454SS*.THydrogen-bonded Turntrans-59-12.515900000112.2S483S483-G487 PolarHBondContact O-N 2.96Å
488A31.8Very low45.3Very low89 Ų8970 Ų7074%0.73644%0.438SS*.THydrogen-bonded Turntrans-132.88.2176.200000115.5E485 L486E485-A488 CarbonylContact O-C 3.6Å; E485-A488 PolarHBondContact O-N 2.78Å; L486-A488 PolarHBondContact O-N 2.98Å; L486-A488 VanDerWaalsContact O-N 3.15Å
489G29.4Very low47.7Very low44 Ų4471.4 Ų71.445%0.45444%0.442SS..THydrogen-bonded Turntrans-172.37-160.300000122.8E485 L486E485-G489 WeakPolarHBondContact O-CA 3.43Å; E485-G489 PolarHBondContact O-N 3.45Å; L486-G489 PolarHBondContact O-N 2.91Å
490L35.4Very low50.1Low134 Ų13470.2 Ų70.270%0.70244%0.439SS*.SBendtrans-103.920.7147.8-92.8111.7000111.7L486 A492L486-L490 HydrophobicContact CD1-CD1 3.23Å; L486-L490 HydrophobicContact CD1-CG 4.42Å; L486-L490 HydrophobicContact CD2-CB 3.6Å; L486-L490 HydrophobicContact CD2-CD1 3.65Å; L486-L490 HydrophobicContact CD2-CG 4.12Å; L486-L490 HydrophobicContact CG-CB 3.63Å; L486-L490 HydrophobicContact CG-CD1 3.3Å; L486-L490 HydrophobicContact CG-CG 4.02Å; L490-A492 PolarHBondContact O-N 3.07Å
491A36.6Very low52.7Low63 Ų6366.1 Ų66.152%0.52142%0.418SS..SBendtrans-55.8137.3151.300000107.4T493A491-T493 PolarHBondContact O-N 3.07Å; A491-T493 VanDerWaalsContact O-N 3.14Å
492A43.1Very low55.4Low88 Ų8865.4 Ų65.473%0.72741%0.412SS*.SBendtrans-34.2124.6170.500000109.8L490 L494L490-A492 PolarHBondContact O-N 3.07Å; A492-L494 PolarHBondContact O-N 3.24Å
493T52.4Low58.1Low29 Ų2967 Ų6718%0.17842%0.416CS..  trans-42.8118.4-176.2-26.20000107.9A491 T768 T770 F775A491-T493 PolarHBondContact O-N 3.07Å; A491-T493 VanDerWaalsContact O-N 3.14Å; T493-T768 PolarHBondContact OG1-O 3.07Å; T493-T768 VanDerWaalsContact OG1-O 3.06Å; T493-T770 HydrophobicContact CG2-CG2 3.92Å; T493-F775 HydrophobicContact CG2-CB 3.84Å; T493-F775 HydrophobicContact CG2-CD1 4.15Å; T493-F775 HydrophobicContact CG2-CG 4.44Å; T493-F775 WeakPolarHBondContact O-CD1 3.42Å; T493-F775 WeakPolarHBondContact O-CE1 2.91Å
494L65.1Low60.8Low105 Ų10565 Ų6555%0.5540%0.4SS..EExtended strand (participates in β ladder)trans-75.9144.2-173.1-69.2171000108.6A492 L496 Y774 F775A492-L494 PolarHBondContact O-N 3.24Å; L494-L496 PolarHBondContact O-N 2.84Å; L494-Y774 HydrophobicContact CB-CD1 3.99Å; L494-Y774 HydrophobicContact CB-CE1 4.26Å; L494-Y774 VanDerWaalsContact O-CA 3.24Å; L494-Y774 WeakPolarHBondContact O-CA 3.38Å; L494-F775 WeakPolarHBondContact O-CD1 3.43Å; L494-F775 PolarHBondContact O-N 2.95Å; L494-F775 VanDerWaalsContact O-N 3.14Å
495E74.7Confident63.5Low159 Ų15963.2 Ų63.274%0.74339%0.385SS*.EExtended strand (participates in β ladder)trans-58.7136.8167.6-164176.817900108.4P497 F775E495-P497 WeakPolarHBondContact O-CD 3.45Å; E495-F775 HydrophobicContact CB-CE1 4.27Å
496L81.8Confident66.1Low10 Ų1063.7 Ų63.75%0.05239%0.392CS..PPolyproline II helixtrans-59.6122.9-176-176.369.9000110.4L494 E498 V501 V763 Y774 L776 L785L494-L496 PolarHBondContact O-N 2.84Å; L496-E498 HydrophobicContact CD2-CG 4.39Å; L496-E498 PolarHBondContact O-N 3.16Å; L496-V501 HydrophobicContact CD1-CG2 3.63Å; L496-V501 HydrophobicContact CD2-CG2 4.19Å; L496-V501 HydrophobicContact CG-CG2 3.83Å; L496-V763 HydrophobicContact CD1-CG2 3.62Å; L496-V763 HydrophobicContact CD2-CG2 4.33Å; L496-Y774 HydrophobicContact CD1-CD1 4.46Å; L496-Y774 HydrophobicContact CD1-CD2 3.83Å; L496-Y774 HydrophobicContact CD1-CG 3.75Å; L496-L776 HydrophobicContact CB-CD2 4.21Å; L496-L776 HydrophobicContact CD2-CD1 4.27Å; L496-L776 HydrophobicContact CD2-CD2 4.24Å; L496-L776 HydrophobicContact CD2-CG 4.38Å; L496-L785 HydrophobicContact CD2-CD1 4.29Å; L496-L785 HydrophobicContact CD2-CD2 3.59Å
497P85.4Confident68.8Low39 Ų3966 Ų6625%0.25340%0.399SS..  trans-72.978173.630.5-35.5000109.6E495 H499 D500 V501 Y774E495-P497 WeakPolarHBondContact O-CD 3.45Å; P497-H499 PolarHBondContact O-N 3.31Å; P497-H499 VanDerWaalsContact O-N 3.08Å; P497-D500 HydrophobicContact CB-CB 4.24Å; P497-D500 HydrophobicContact CG-CB 4.42Å; P497-D500 PolarHBondContact O-N 3.13Å; P497-V501 WeakPolarHBondContact O-CG2 3.46Å; P497-V501 PolarHBondContact O-N 3.28Å; P497-V501 VanDerWaalsContact O-N 3.13Å; P497-Y774 VanDerWaalsContact CD-CD1 3.48Å; P497-Y774 HydrophobicContact CG-CE1 3.9Å
498E85.4Confident71.6Confident52 Ų5262.7 Ų62.724%0.24336%0.364CS..Hα-helixtrans-54.1-35.7-171.8-66.9-170.2165.100113.1L496 D500 V501 I502 L785 K788L496-E498 HydrophobicContact CD2-CG 4.39Å; L496-E498 PolarHBondContact O-N 3.16Å; E498-D500 VanDerWaalsContact C-N 3.34Å; E498-D500 PolarHBondContact O-N 3.49Å; E498-V501 PolarHBondContact O-N 2.9Å; E498-I502 WeakPolarHBondContact O-CB 3.46Å; E498-I502 WeakPolarHBondContact O-CD1 3.17Å; E498-I502 WeakPolarHBondContact O-CG1 3.37Å; E498-I502 PolarHBondContact O-N 3.46Å; E498-L785 HydrophobicContact CG-CD1 4.42Å; E498-K788 IonicContact OE2-NZ 2.96Å; E498-K788 PolarHBondContact OE2-NZ 3.34Å
499H86.8Confident74.2Confident133 Ų13362.6 Ų62.662%0.61635%0.351SS*.Hα-helixtrans-60.4-43.2177177.8-85.6000112P497 I502 Q503P497-H499 PolarHBondContact O-N 3.31Å; P497-H499 VanDerWaalsContact O-N 3.08Å; H499-I502 PolarHBondContact O-N 3.31Å; H499-Q503 VanDerWaalsContact O-CB 3.23Å; H499-Q503 WeakPolarHBondContact O-CB 3.39Å; H499-Q503 PolarHBondContact O-N 2.6Å
500D86.7Confident77Confident75 Ų7561.3 Ų61.340%0.40133%0.334SS..Hα-helixtrans-73-39.1-178.3-63.1-12.3000110.8P497 E498 I502 Q503 Q504P497-D500 HydrophobicContact CB-CB 4.24Å; P497-D500 HydrophobicContact CG-CB 4.42Å; P497-D500 PolarHBondContact O-N 3.13Å; E498-D500 VanDerWaalsContact C-N 3.34Å; E498-D500 PolarHBondContact O-N 3.49Å; D500-I502 VanDerWaalsContact C-N 3.32Å; D500-I502 PolarHBondContact O-N 3.48Å; D500-Q503 PolarHBondContact O-N 2.82Å; D500-Q504 WeakPolarHBondContact O-CB 3.29Å; D500-Q504 WeakPolarHBondContact O-CG 3.39Å; D500-Q504 PolarHBondContact O-N 2.66Å
501V88.2Confident79.6Confident0 Ų055.2 Ų55.20%030%0.301CS..Hα-helixtrans-55.1-49.1173.61780000110.4L496 P497 E498 Y505 Y708 L710 F761 L785L496-V501 HydrophobicContact CD1-CG2 3.63Å; L496-V501 HydrophobicContact CD2-CG2 4.19Å; L496-V501 HydrophobicContact CG-CG2 3.83Å; P497-V501 WeakPolarHBondContact O-CG2 3.46Å; P497-V501 PolarHBondContact O-N 3.28Å; P497-V501 VanDerWaalsContact O-N 3.13Å; E498-V501 PolarHBondContact O-N 2.9Å; V501-Y505 WeakPolarHBondContact O-CB 3.49Å; V501-Y505 PolarHBondContact O-N 3.46Å; V501-Y708 VanDerWaalsContact CG1-OH 3.23Å; V501-Y708 WeakPolarHBondContact CG1-OH 3.35Å; V501-Y708 PolarHBondContact O-OH 3.4Å; V501-L710 HydrophobicContact CG1-CD1 4.35Å; V501-L710 HydrophobicContact CG1-CD2 4.19Å; V501-F761 HydrophobicContact CG2-CD1 3.56Å; V501-F761 HydrophobicContact CG2-CD2 4.36Å; V501-F761 HydrophobicContact CG2-CE1 3.69Å; V501-F761 HydrophobicContact CG2-CE2 4.48Å; V501-F761 HydrophobicContact CG2-CG 3.91Å; V501-F761 HydrophobicContact CG2-CZ 4.16Å; V501-L785 HydrophobicContact CG1-CD1 4.29Å
502I89.5Confident82.3Confident17 Ų1752.2 Ų52.29%0.08728%0.277CS..Hα-helixtrans-69-45-179.9-66162.3000110.7E498 H499 D500 Q504 Y505 S506 K788 L789 H792E498-I502 WeakPolarHBondContact O-CB 3.46Å; E498-I502 WeakPolarHBondContact O-CD1 3.17Å; E498-I502 WeakPolarHBondContact O-CG1 3.37Å; E498-I502 PolarHBondContact O-N 3.46Å; H499-I502 PolarHBondContact O-N 3.31Å; D500-I502 VanDerWaalsContact C-N 3.32Å; D500-I502 PolarHBondContact O-N 3.48Å; I502-Q504 PolarHBondContact O-N 2.98Å; I502-Y505 WeakPolarHBondContact O-CB 3.33Å; I502-Y505 PolarHBondContact O-N 3.29Å; I502-S506 PolarHBondContact O-N 3.47Å; I502-S506 PolarHBondContact O-OG 2.72Å; I502-K788 HydrophobicContact CD1-CB 3.65Å; I502-K788 HydrophobicContact CD1-CD 3.88Å; I502-K788 HydrophobicContact CD1-CG 4.34Å; I502-K788 HydrophobicContact CG1-CB 4.32Å; I502-L789 HydrophobicContact CG1-CD2 4.17Å; I502-H792 HydrophobicContact CG2-CB 3.78Å; I502-H792 VanDerWaalsContact CG2-CD2 3.41Å; I502-H792 WeakPolarHBondContact CG2-CD2 3.41Å
503Q88.2Confident84.7Confident78 Ų7848.1 Ų48.136%0.36424%0.243SC..Hα-helixtrans-63.8-43.3-177.3-171.7-176.518.900112H499 D500 K507H499-Q503 VanDerWaalsContact O-CB 3.23Å; H499-Q503 WeakPolarHBondContact O-CB 3.39Å; H499-Q503 PolarHBondContact O-N 2.6Å; D500-Q503 PolarHBondContact O-N 2.82Å; Q503-K507 WeakPolarHBondContact O-CG 3.48Å; Q503-K507 PolarHBondContact O-N 3.33Å
504Q88.5Confident86.7Confident29 Ų2946.8 Ų46.814%0.13623%0.234CC..Hα-helixtrans-71.1-38.9176.7-63.5-6219.400111.3D500 I502 S506 K507 S508 Y708 E758 N759 F761D500-Q504 WeakPolarHBondContact O-CB 3.29Å; D500-Q504 WeakPolarHBondContact O-CG 3.39Å; D500-Q504 PolarHBondContact O-N 2.66Å; I502-Q504 PolarHBondContact O-N 2.98Å; Q504-S506 PolarHBondContact O-N 3.27Å; Q504-K507 PolarHBondContact O-N 3.14Å; Q504-K507 VanDerWaalsContact O-N 3.16Å; Q504-S508 WeakPolarHBondContact O-CB 3.34Å; Q504-S508 PolarHBondContact O-N 3.43Å; Q504-S508 PolarHBondContact O-OG 2.77Å; Q504-S508 VanDerWaalsContact O-OG 3.05Å; Q504-Y708 HydrophobicContact CB-CD2 4.15Å; Q504-Y708 HydrophobicContact CB-CE2 4.09Å; Q504-E758 PolarHBondContact NE2-OE2 3.14Å; Q504-N759 VanDerWaalsContact CD-OD1 3.29Å; Q504-N759 WeakPolarHBondContact CG-OD1 3.44Å; Q504-F761 HydrophobicContact CB-CE2 4.36Å; Q504-F761 HydrophobicContact CG-CZ 4.45Å
505Y89.5Confident88Confident0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-53.2-52.4172.7-179.1-90.9000111.1V501 I502 K507 S508 R511 L513 L550 T556 Y708 L789 N793V501-Y505 WeakPolarHBondContact O-CB 3.49Å; V501-Y505 PolarHBondContact O-N 3.46Å; I502-Y505 WeakPolarHBondContact O-CB 3.33Å; I502-Y505 PolarHBondContact O-N 3.29Å; Y505-K507 VanDerWaalsContact C-N 3.29Å; Y505-K507 PolarHBondContact O-N 3Å; Y505-S508 PolarHBondContact O-N 3.35Å; Y505-R511 HydrophobicContact CD2-CG 4.48Å; Y505-R511 HydrophobicContact CE2-CB 4.33Å; Y505-R511 VanDerWaalsContact CE2-CD 3.45Å; Y505-R511 HydrophobicContact CE2-CG 4.42Å; Y505-R511 PolarHBondContact O-NE 2.95Å; Y505-R511 PolarHBondContact O-NH2 3.02Å; Y505-L513 HydrophobicContact CD2-CD2 4.47Å; Y505-L513 HydrophobicContact CE2-CD1 4.33Å; Y505-L513 HydrophobicContact CE2-CD2 4.15Å; Y505-L550 VanDerWaalsContact OH-CD2 3.27Å; Y505-L550 WeakPolarHBondContact OH-CD2 3.38Å; Y505-T556 PolarHBondContact OH-OG1 2.85Å; Y505-Y708 HydrophobicContact CD2-CD1 4.21Å; Y505-Y708 AromaticContact CD2-CE1 3.71Å; Y505-Y708 HydrophobicContact CD2-CE1 3.71Å; Y505-Y708 AromaticContact CD2-CZ 3.96Å; Y505-L789 HydrophobicContact CD1-CD2 3.88Å; Y505-L789 HydrophobicContact CD2-CD2 3.94Å; Y505-L789 HydrophobicContact CE1-CB 4.37Å; Y505-L789 HydrophobicContact CE1-CD2 4.44Å; Y505-L789 HydrophobicContact CG-CD2 3.61Å; Y505-N793 HydrophobicContact CE1-CB 4.38Å
506S87.5Confident88.8Confident46 Ų4634.4 Ų34.432%0.32217%0.174SC..Hα-helixtrans-61.7-32.3-179.7-65.80000113.7I502 Q504 R511 H792I502-S506 PolarHBondContact O-N 3.47Å; I502-S506 PolarHBondContact O-OG 2.72Å; Q504-S506 PolarHBondContact O-N 3.27Å; S506-R511 PolarHBondContact O-NH2 2.97Å; S506-H792 PolarHBondContact OG-O 2.79Å
507K87.9Confident89.2Confident122 Ų12234 Ų3453%0.5317%0.172SC..Hα-helixtrans-79.5-23.6179.7-71.1174.1-173168.80114.2Q503 Q504 Y505Q503-K507 WeakPolarHBondContact O-CG 3.48Å; Q503-K507 PolarHBondContact O-N 3.33Å; Q504-K507 PolarHBondContact O-N 3.14Å; Q504-K507 VanDerWaalsContact O-N 3.16Å; Y505-K507 VanDerWaalsContact C-N 3.29Å; Y505-K507 PolarHBondContact O-N 3Å
508S88.5Confident89Confident4 Ų433.9 Ų33.93%0.02817%0.167CC..  trans-77.9148.2-174-74.60000113.6Q504 Y505 R511 D707 Y708Q504-S508 WeakPolarHBondContact O-CB 3.34Å; Q504-S508 PolarHBondContact O-N 3.43Å; Q504-S508 PolarHBondContact O-OG 2.77Å; Q504-S508 VanDerWaalsContact O-OG 3.05Å; Y505-S508 PolarHBondContact O-N 3.35Å; S508-R511 PolarHBondContact O-NE 3.48Å; S508-R511 VanDerWaalsContact O-NE 3.11Å; S508-R511 PolarHBondContact O-NH2 2.81Å; S508-D707 VanDerWaalsContact CB-OD1 3.27Å; S508-D707 WeakPolarHBondContact CB-OD1 3.48Å; S508-Y708 WeakPolarHBondContact OG-CB 3.36Å
509N86.6Confident88.6Confident88 Ų8832.4 Ų32.447%0.47117%0.166SC..SBendtrans-102.1-22.4-175.4-67.3-61.3000113.9D707N509-D707 PolarHBondContact N-OD1 2.92Å; N509-D707 VanDerWaalsContact N-OD1 3.11Å; N509-D707 PolarHBondContact N-OD2 3.24Å
510N88.4Confident88.4Confident16 Ų1626.1 Ų26.19%0.08614%0.137CC..SBendtrans-144.1105.1175.7-1733.1000110.8K555 T704 P705 I706 D707 Y708N510-K555 WeakPolarHBondContact CA-O 3.3Å; N510-T704 PolarHBondContact ND2-O 3.32Å; N510-P705 WeakPolarHBondContact CB-O 3.43Å; N510-I706 WeakPolarHBondContact O-CA 3.44Å; N510-D707 PolarHBondContact N-OD1 3.08Å; N510-D707 PolarHBondContact O-N 2.66Å; N510-Y708 PolarHBondContact O-N 3.42Å
511R91.6Very high88.5Confident6 Ų622.6 Ų22.62%0.02312%0.118CC..EExtended strand (participates in β ladder)trans-109.6133.8-165.2-50.9168-170.2163.4-12.7109.5Y505 S506 S508 D553 K555 T556 T557 Y708 N793Y505-R511 HydrophobicContact CD2-CG 4.48Å; Y505-R511 HydrophobicContact CE2-CB 4.33Å; Y505-R511 VanDerWaalsContact CE2-CD 3.45Å; Y505-R511 HydrophobicContact CE2-CG 4.42Å; Y505-R511 PolarHBondContact O-NE 2.95Å; Y505-R511 PolarHBondContact O-NH2 3.02Å; S506-R511 PolarHBondContact O-NH2 2.97Å; S508-R511 PolarHBondContact O-NE 3.48Å; S508-R511 VanDerWaalsContact O-NE 3.11Å; S508-R511 PolarHBondContact O-NH2 2.81Å; R511-D553 IonicContact NH1-OD2 2.66Å; R511-D553 PolarHBondContact NH1-OD2 3.14Å; R511-D553 VanDerWaalsContact NH1-OD2 3.17Å; R511-K555 PolarHBondContact N-O 3.1Å; R511-T556 HydrophobicContact CB-CG2 4.48Å; R511-T556 WeakPolarHBondContact O-CA 3.38Å; R511-T557 PolarHBondContact O-N 2.75Å; R511-Y708 HydrophobicContact CB-CD1 4.06Å; R511-Y708 HydrophobicContact CG-CD1 4.42Å; R511-N793 PolarHBondContact NH1-OD1 3.29Å
512L92.3Very high88.3Confident0 Ų022.9 Ų22.90%012%0.119CC..EExtended strand (participates in β ladder)trans-113.9119.3174.2-179.966.1000109.9I514 T557 V559 M689 L693 I706 Y708 V709 L710 F726L512-I514 HydrophobicContact CD2-CD1 3.99Å; L512-I514 HydrophobicContact CD2-CG1 4.15Å; L512-I514 HydrophobicContact CG-CD1 4.35Å; L512-I514 HydrophobicContact CG-CG1 4Å; L512-T557 WeakPolarHBondContact CA-O 3.41Å; L512-T557 HydrophobicContact CD1-CG2 4.1Å; L512-V559 HydrophobicContact CD1-CG2 3.66Å; L512-M689 HydrophobicContact CD2-CE 4.17Å; L512-L693 HydrophobicContact CD2-CD2 4.18Å; L512-I706 HydrophobicContact CB-CD1 4.35Å; L512-I706 HydrophobicContact CB-CG2 3.83Å; L512-I706 HydrophobicContact CD2-CD1 4.17Å; L512-Y708 PolarHBondContact N-O 3.2Å; L512-V709 HydrophobicContact CB-CG2 4.12Å; L512-V709 HydrophobicContact CD2-CG2 4.29Å; L512-V709 VanDerWaalsContact O-CA 3.31Å; L512-V709 WeakPolarHBondContact O-CA 3.23Å; L512-L710 PolarHBondContact O-N 3.04Å; L512-F726 HydrophobicContact CD2-CE1 4.17Å; L512-F726 HydrophobicContact CD2-CE2 4.23Å; L512-F726 HydrophobicContact CD2-CZ 3.55Å
513L93.6Very high87.4Confident3 Ų325.9 Ų25.92%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-106.9116.8174.7-55.7-174.8000109Y505 L550 T556 T557 V558 V559 Y708 L710Y505-L513 HydrophobicContact CD2-CD2 4.47Å; Y505-L513 HydrophobicContact CE2-CD1 4.33Å; Y505-L513 HydrophobicContact CE2-CD2 4.15Å; L513-L550 HydrophobicContact CD1-CD1 4.02Å; L513-L550 HydrophobicContact CD1-CD2 4.34Å; L513-T556 HydrophobicContact CD1-CG2 3.7Å; L513-T556 HydrophobicContact CG-CG2 3.87Å; L513-T557 PolarHBondContact N-O 2.83Å; L513-V558 HydrophobicContact CB-CG2 4.37Å; L513-V558 HydrophobicContact CD1-CG2 4.34Å; L513-V558 CarbonylContact O-C 3.59Å; L513-V558 WeakPolarHBondContact O-CA 3.26Å; L513-V559 PolarHBondContact O-N 2.65Å; L513-Y708 HydrophobicContact CD2-CE1 3.96Å; L513-L710 CarbonylContact C-O 3.53Å; L513-L710 WeakPolarHBondContact CA-O 3.33Å; L513-L710 HydrophobicContact CD2-CB 3.75Å; L513-L710 HydrophobicContact CD2-CD2 4.07Å; L513-L710 HydrophobicContact CD2-CG 4.39Å
514I94.2Very high86.1Confident0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-109115.7178.5-54.1165.6000107.4L512 V559 L561 M689 V709 L710 C711 I712 V722 F726L512-I514 HydrophobicContact CD2-CD1 3.99Å; L512-I514 HydrophobicContact CD2-CG1 4.15Å; L512-I514 HydrophobicContact CG-CD1 4.35Å; L512-I514 HydrophobicContact CG-CG1 4Å; I514-V559 CarbonylContact C-O 3.55Å; I514-V559 WeakPolarHBondContact CA-O 3.32Å; I514-L561 HydrophobicContact CG2-CD1 3.55Å; I514-L561 HydrophobicContact CG2-CG 3.99Å; I514-M689 HydrophobicContact CD1-CE 3.49Å; I514-M689 VanDerWaalsContact CD1-CE 3.49Å; I514-M689 HydrophobicContact CD1-SD 4.1Å; I514-M689 HydrophobicContact CG1-CE 3.77Å; I514-M689 HydrophobicContact CG1-SD 4.16Å; I514-M689 HydrophobicContact CG2-SD 3.95Å; I514-V709 HydrophobicContact CD1-CG1 4.04Å; I514-L710 PolarHBondContact N-O 3.24Å; I514-C711 HydrophobicContact CB-CB 4.13Å; I514-C711 HydrophobicContact CD1-CB 4.36Å; I514-C711 CarbonylContact O-C 3.59Å; I514-C711 VanDerWaalsContact O-CA 3.3Å; I514-C711 WeakPolarHBondContact O-CA 3.21Å; I514-I712 PolarHBondContact O-N 3.4Å; I514-V722 HydrophobicContact CG2-CG2 4.35Å; I514-F726 HydrophobicContact CD1-CD2 4.23Å; I514-F726 HydrophobicContact CD1-CE2 3.42Å; I514-F726 VanDerWaalsContact CD1-CE2 3.42Å; I514-F726 HydrophobicContact CD1-CZ 4.15Å
515L93.5Very high84.3Confident3 Ų327.3 Ų27.32%0.01615%0.146CC..EExtended strand (participates in β ladder)trans-122.8124.7-171.6-56174.3000109.6L521 L547 V558 V559 V560 L561 I712 I786L515-L521 HydrophobicContact CB-CD1 3.96Å; L515-L521 HydrophobicContact CB-CD2 4.42Å; L515-L521 HydrophobicContact CB-CG 4.38Å; L515-L521 HydrophobicContact CD1-CD1 4.37Å; L515-L521 HydrophobicContact CD1-CD2 4.16Å; L515-L547 HydrophobicContact CD1-CD2 4.05Å; L515-V558 HydrophobicContact CD1-CG1 3.96Å; L515-V559 PolarHBondContact N-O 2.89Å; L515-V560 CarbonylContact O-C 3.59Å; L515-V560 VanDerWaalsContact O-CA 3.26Å; L515-V560 WeakPolarHBondContact O-CA 3.47Å; L515-L561 PolarHBondContact O-N 2.93Å; L515-I712 CarbonylContact C-O 3.58Å; L515-I712 WeakPolarHBondContact CA-O 3.33Å; L515-I712 HydrophobicContact CD2-CB 4.18Å; L515-I712 HydrophobicContact CD2-CD1 4.28Å; L515-I712 HydrophobicContact CD2-CG1 4.35Å; L515-I786 HydrophobicContact CD1-CD1 4.42Å
516G90.1Very high82.2Confident1 Ų136.7 Ų36.71%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-63.8146.5164.700000110.1T520 L521 L561 I712G516-T520 WeakPolarHBondContact O-CB 3.49Å; G516-T520 WeakPolarHBondContact O-CG2 3.26Å; G516-L521 WeakPolarHBondContact O-CG 3.28Å; G516-L561 CarbonylContact C-O 3.56Å; G516-L561 WeakPolarHBondContact CA-O 3.36Å; G516-I712 PolarHBondContact N-O 2.93Å
517F89.7Confident79.8Confident1 Ų141.5 Ų41.50%0.00421%0.209CC..SBendtrans-82.2-66.2172.5-178.1-138.3000111.2G519 T520 L521 T522 L537 V560 L561 I568 L569 N572 F573F517-G519 PolarHBondContact O-N 3.14Å; F517-T520 PolarHBondContact O-N 2.79Å; F517-L521 HydrophobicContact CD2-CB 4.13Å; F517-L521 PolarHBondContact O-N 2.66Å; F517-T522 HydrophobicContact CD2-CG2 3.96Å; F517-T522 HydrophobicContact CE1-CG2 4.36Å; F517-T522 HydrophobicContact CE2-CG2 3.63Å; F517-T522 HydrophobicContact CG-CG2 4.46Å; F517-T522 HydrophobicContact CZ-CG2 3.86Å; F517-T522 PolarHBondContact O-N 2.8Å; F517-L537 HydrophobicContact CD1-CD1 4.21Å; F517-L537 HydrophobicContact CE1-CB 3.62Å; F517-L537 HydrophobicContact CE1-CD1 3.85Å; F517-L537 HydrophobicContact CE1-CG 4.37Å; F517-L537 HydrophobicContact CZ-CB 3.79Å; F517-V560 HydrophobicContact CB-CG1 3.95Å; F517-L561 PolarHBondContact N-O 3.19Å; F517-I568 HydrophobicContact CE1-CG2 3.68Å; F517-I568 HydrophobicContact CZ-CG2 4.33Å; F517-L569 HydrophobicContact CD1-CD2 3.93Å; F517-L569 HydrophobicContact CE1-CD2 4.38Å; F517-L569 HydrophobicContact CG-CD2 4.24Å; F517-N572 HydrophobicContact CZ-CB 4.38Å; F517-F573 AromaticContact CD2-CE2 3.52Å; F517-F573 HydrophobicContact CD2-CE2 3.52Å; F517-F573 AromaticContact CD2-CZ 3.49Å; F517-F573 HydrophobicContact CD2-CZ 3.49Å; F517-F573 VanDerWaalsContact CD2-CZ 3.49Å; F517-F573 AromaticContact CE2-CE2 3.59Å; F517-F573 HydrophobicContact CE2-CE2 3.59Å; F517-F573 AromaticContact CE2-CZ 3.59Å; F517-F573 HydrophobicContact CE2-CZ 3.59Å; F517-F573 HydrophobicContact CG-CE2 4.06Å; F517-F573 HydrophobicContact CG-CZ 4.4Å; F517-F573 HydrophobicContact CZ-CE2 4.17Å
518Y82.3Confident77.5Confident37 Ų3738.8 Ų38.815%0.14520%0.198CC..THydrogen-bonded Turntrans-64.9128.2-176.6-174.1-89.9000112.2T520 M525 M535 L537Y518-T520 PolarHBondContact O-N 3.09Å; Y518-M525 HydrophobicContact CE2-CE 3.54Å; Y518-M525 WeakPolarHBondContact OH-CE 3.21Å; Y518-M535 HydrophobicContact CE2-CE 3.71Å; Y518-M535 HydrophobicContact CE2-SD 4.08Å; Y518-L537 HydrophobicContact CD2-CD1 3.98Å; Y518-L537 HydrophobicContact CD2-CD2 3.8Å; Y518-L537 HydrophobicContact CE2-CD2 4Å
519G76.7Confident75Confident22 Ų2247.5 Ų47.523%0.22724%0.239CC..THydrogen-bonded Turntrans73.8-3.6178.500000114.8F517 T522F517-G519 PolarHBondContact O-N 3.14Å; G519-T522 PolarHBondContact N-OG1 3.3Å
520T83.8Confident72.8Confident1 Ų148.1 Ų48.11%0.00623%0.234CC..THydrogen-bonded Turntrans-116.9-55.2-177.9-58.60000111.6G516 F517 Y518 I712 G713 C714 I765 V782G516-T520 WeakPolarHBondContact O-CB 3.49Å; G516-T520 WeakPolarHBondContact O-CG2 3.26Å; F517-T520 PolarHBondContact O-N 2.79Å; Y518-T520 PolarHBondContact O-N 3.09Å; T520-I712 HydrophobicContact CG2-CB 4.43Å; T520-I712 HydrophobicContact CG2-CG2 3.94Å; T520-G713 VanDerWaalsContact OG1-CA 3.31Å; T520-G713 WeakPolarHBondContact OG1-CA 3.39Å; T520-C714 PolarHBondContact OG1-N 3.07Å; T520-C714 VanDerWaalsContact OG1-N 3.15Å; T520-I765 VanDerWaalsContact CA-CD1 3.46Å; T520-I765 HydrophobicContact CG2-CD1 3.68Å; T520-I765 WeakPolarHBondContact OG1-CD1 3.43Å; T520-V782 HydrophobicContact CG2-CG1 4.21Å; T520-V782 HydrophobicContact CG2-CG2 4.46Å
521L88.3Confident70.1Confident0 Ų058.5 Ų58.50%027%0.272CS..THydrogen-bonded Turntrans-101.3-8.1178.9-59.5176.2000112.8L515 G516 F517 L539 H540 L543 V560 F573 I786L515-L521 HydrophobicContact CB-CD1 3.96Å; L515-L521 HydrophobicContact CB-CD2 4.42Å; L515-L521 HydrophobicContact CB-CG 4.38Å; L515-L521 HydrophobicContact CD1-CD1 4.37Å; L515-L521 HydrophobicContact CD1-CD2 4.16Å; G516-L521 WeakPolarHBondContact O-CG 3.28Å; F517-L521 HydrophobicContact CD2-CB 4.13Å; F517-L521 PolarHBondContact O-N 2.66Å; L521-L539 HydrophobicContact CB-CD1 3.9Å; L521-H540 WeakPolarHBondContact O-CB 3.15Å; L521-H540 PolarHBondContact O-N 3.44Å; L521-L543 HydrophobicContact CB-CD1 4.21Å; L521-L543 HydrophobicContact CD2-CD1 3.7Å; L521-V560 HydrophobicContact CD1-CG1 4.34Å; L521-V560 HydrophobicContact CD1-CG2 4.13Å; L521-F573 HydrophobicContact CD1-CE1 4.18Å; L521-F573 HydrophobicContact CD1-CZ 3.94Å; L521-I786 HydrophobicContact CD2-CD1 4.08Å
522T83.4Confident67.2Low6 Ų662 Ų624%0.03731%0.31CS..BIsolated β-bridgetrans-90.7154.5176.357.70000110.7F517 G519 L537 S779F517-T522 HydrophobicContact CD2-CG2 3.96Å; F517-T522 HydrophobicContact CE1-CG2 4.36Å; F517-T522 HydrophobicContact CE2-CG2 3.63Å; F517-T522 HydrophobicContact CG-CG2 4.46Å; F517-T522 HydrophobicContact CZ-CG2 3.86Å; F517-T522 PolarHBondContact O-N 2.8Å; G519-T522 PolarHBondContact N-OG1 3.3Å; T522-L537 HydrophobicContact CG2-CB 4.3Å; T522-L537 HydrophobicContact CG2-CD2 4.16Å; T522-S779 WeakPolarHBondContact O-CB 3.46Å; T522-S779 PolarHBondContact O-OG 2.95Å
523Q71Confident64.4Low81 Ų8170.4 Ų70.438%0.37936%0.355SS..PPolyproline II helixtrans-61.1150.5172.6-79.7-178.4-12.300112.2M525 H540Q523-M525 PolarHBondContact O-N 3.27Å; Q523-H540 HydrophobicContact CG-CB 4.44Å; Q523-H540 WeakPolarHBondContact CG-CD2 3.44Å
524P59.8Low62.2Low62 Ų6272.7 Ų72.740%0.40338%0.379SS..PPolyproline II helixtrans-55.9130169.6-18.428.3000110.5K526 S779P524-K526 PolarHBondContact O-N 3.48Å; P524-S779 VanDerWaalsContact CD-OG 3.32Å; P524-S779 WeakPolarHBondContact CD-OG 3.42Å; P524-S779 WeakPolarHBondContact CG-OG 3.14Å
525M51.9Low60.3Low75 Ų7573.5 Ų73.537%0.36938%0.383SS..G310 helixtrans-55.3-2.9-169.8-86.2-85170.800117.6Y518 Q523 N527 M535 L537Y518-M525 HydrophobicContact CE2-CE 3.54Å; Y518-M525 WeakPolarHBondContact OH-CE 3.21Å; Q523-M525 PolarHBondContact O-N 3.27Å; M525-N527 PolarHBondContact O-N 2.94Å; M525-N527 VanDerWaalsContact O-N 3.07Å; M525-M535 HydrophobicContact CE-CE 3.72Å; M525-M535 HydrophobicContact CE-SD 3.41Å; M525-M535 WeakPolarHBondContact CE-SD 3.44Å; M525-L537 HydrophobicContact CE-CD2 4.15Å
526K44.7Very low58.9Low197 Ų19777.6 Ų77.686%0.85741%0.405SS*.G310 helixtrans-66.2-13.6-171-75.8-172177.8178.80115.6P524P524-K526 PolarHBondContact O-N 3.48Å
527N37.4Very low58.1Low146 Ų14677.9 Ų77.978%0.78141%0.406SS*.G310 helixtrans-133.312.1-169.7-81.4-12.7000116.8M525 E529M525-N527 PolarHBondContact O-N 2.94Å; M525-N527 VanDerWaalsContact O-N 3.07Å; N527-E529 PolarHBondContact O-N 3.31Å
528Q40.9Very low57.8Low65 Ų6581.9 Ų81.930%0.30443%0.425SS..  trans-89.395.2177.3-73.2-162.2-20.100111.9R530 N536Q528-R530 PolarHBondContact O-N 3.5Å; Q528-N536 PolarHBondContact NE2-O 3.15Å; Q528-N536 PolarHBondContact OE1-O 3.37Å
529E35.9Very low58Low188 Ų18880.3 Ų80.388%0.87942%0.419SS*.  trans-60.5111.4166.1-71.1-175.5165.900110.1N527 R531N527-E529 PolarHBondContact O-N 3.31Å; E529-R531 PolarHBondContact O-N 2.92Å
530R38.9Very low58.5Low101 Ų10180 Ų8038%0.38141%0.412SS..  trans-83.6111.4171.9-73.5-162.2-167163.415.5111Q528 M535 Y626 E639Q528-R530 PolarHBondContact O-N 3.5Å; R530-M535 PolarHBondContact NH2-SD 2.85Å; R530-Y626 PolarHBondContact NH2-OH 3.12Å; R530-E639 IonicContact NH2-OE1 2.64Å
531R32Very low58.5Low234 Ų23483.6 Ų83.688%0.88344%0.435SS*.  trans-80.3146.4148.5-73-179.6174.3-179-1.4108.3E529E529-R531 PolarHBondContact O-N 2.92Å
532G30.7Very low58.4Low79 Ų7989.5 Ų89.581%0.81446%0.463SS*.SBendtrans-47.7155.4-164.200000118.4
533D34.6Very low58.7Low177 Ų17789.2 Ų89.295%0.94746%0.461SS*.SBendtrans61.185.3178.5-71.1-10000117
534G46.3Very low59.4Low51 Ų5190.4 Ų90.453%0.52647%0.465SS..SBendtrans112.1150162.600000115.3N536G534-N536 PolarHBondContact O-N 3.09Å
535M53.9Low60.7Low17 Ų1794.3 Ų94.38%0.08448%0.478CS..  trans-64.2112.1160.6-78.2-105-168.800108.3Y518 M525 R530 L537 Y626 E628Y518-M535 HydrophobicContact CE2-CE 3.71Å; Y518-M535 HydrophobicContact CE2-SD 4.08Å; M525-M535 HydrophobicContact CE-CE 3.72Å; M525-M535 HydrophobicContact CE-SD 3.41Å; M525-M535 WeakPolarHBondContact CE-SD 3.44Å; R530-M535 PolarHBondContact NH2-SD 2.85Å; M535-L537 HydrophobicContact CB-CD2 4.46Å; M535-L537 HydrophobicContact CB-CG 4.01Å; M535-L537 PolarHBondContact O-N 3.02Å; M535-L537 HydrophobicContact SD-CD2 3.72Å; M535-L537 HydrophobicContact SD-CG 4.24Å; M535-Y626 HydrophobicContact CE-CE2 4.48Å; M535-Y626 WeakPolarHBondContact CE-OH 3.46Å; M535-E628 WeakPolarHBondContact CE-OE1 3.36Å; M535-E628 WeakPolarHBondContact CG-OE1 3.31Å
536N64.2Low62.5Low89 Ų8994.7 Ų94.748%0.47648%0.475SS..  trans-8473.2167.2-157.416.8000108.5Q528 G534 E538 K571Q528-N536 PolarHBondContact NE2-O 3.15Å; Q528-N536 PolarHBondContact OE1-O 3.37Å; G534-N536 PolarHBondContact O-N 3.09Å; N536-E538 PolarHBondContact ND2-OE1 3.14Å; N536-E538 PolarHBondContact O-N 3.47Å; N536-K571 PolarHBondContact OD1-NZ 3.31Å
537L74.2Confident64.7Low6 Ų685.3 Ų85.33%0.03143%0.434CS..  trans-67.1123.1175.6-66.6172.4000109F517 Y518 T522 M525 M535 S564 I568 N572F517-L537 HydrophobicContact CD1-CD1 4.21Å; F517-L537 HydrophobicContact CE1-CB 3.62Å; F517-L537 HydrophobicContact CE1-CD1 3.85Å; F517-L537 HydrophobicContact CE1-CG 4.37Å; F517-L537 HydrophobicContact CZ-CB 3.79Å; Y518-L537 HydrophobicContact CD2-CD1 3.98Å; Y518-L537 HydrophobicContact CD2-CD2 3.8Å; Y518-L537 HydrophobicContact CE2-CD2 4Å; T522-L537 HydrophobicContact CG2-CB 4.3Å; T522-L537 HydrophobicContact CG2-CD2 4.16Å; M525-L537 HydrophobicContact CE-CD2 4.15Å; M535-L537 HydrophobicContact CB-CD2 4.46Å; M535-L537 HydrophobicContact CB-CG 4.01Å; M535-L537 PolarHBondContact O-N 3.02Å; M535-L537 HydrophobicContact SD-CD2 3.72Å; M535-L537 HydrophobicContact SD-CG 4.24Å; L537-S564 WeakPolarHBondContact CD1-OG 3.4Å; L537-I568 HydrophobicContact CB-CG2 4.16Å; L537-N572 PolarHBondContact O-ND2 3.47Å
538E83.9Confident67.2Low85 Ų8583.4 Ų83.440%0.39742%0.419SS..  trans-122.4138.6178.7-63.6-166.3163.900110.3N536 H540 K571 N572N536-E538 PolarHBondContact ND2-OE1 3.14Å; N536-E538 PolarHBondContact O-N 3.47Å; E538-H540 PolarHBondContact O-N 3.02Å; E538-K571 IonicContact OE1-NZ 2.63Å; E538-K571 PolarHBondContact OE1-NZ 3.4Å; E538-N572 WeakPolarHBondContact CA-OD1 2.94Å
539L86.3Confident69.5Low5 Ų583.8 Ų83.83%0.02642%0.421CS..BIsolated β-bridgetrans-57.9134.4173.617762.4000110.3L521 L543 K544 L547 N572 F573 Y576L521-L539 HydrophobicContact CB-CD1 3.9Å; L539-L543 HydrophobicContact CD1-CB 4.01Å; L539-L543 HydrophobicContact CD1-CD1 4.1Å; L539-L543 HydrophobicContact CG-CB 4.36Å; L539-K544 HydrophobicContact CD2-CG 3.95Å; L539-K544 HydrophobicContact CG-CG 4.39Å; L539-L547 HydrophobicContact CD1-CD1 3.74Å; L539-L547 HydrophobicContact CD2-CD1 3.95Å; L539-L547 HydrophobicContact CG-CD1 4.47Å; L539-N572 PolarHBondContact N-OD1 2.97Å; L539-F573 HydrophobicContact CD1-CE1 3.89Å; L539-F573 HydrophobicContact CD1-CZ 4.15Å; L539-F573 HydrophobicContact CD2-CE1 4.07Å; L539-F573 HydrophobicContact CG-CE1 4.46Å; L539-Y576 HydrophobicContact CD2-CE2 4.5Å
540H85.8Confident72Confident15 Ų1574.9 Ų74.97%0.06938%0.379CS..  trans-52.7124.7177.8-169.8-75.1000110.4L521 Q523 E538 Q542 L543 D780 V783L521-H540 WeakPolarHBondContact O-CB 3.15Å; L521-H540 PolarHBondContact O-N 3.44Å; Q523-H540 HydrophobicContact CG-CB 4.44Å; Q523-H540 WeakPolarHBondContact CG-CD2 3.44Å; E538-H540 PolarHBondContact O-N 3.02Å; H540-Q542 VanDerWaalsContact C-N 3.26Å; H540-Q542 PolarHBondContact ND1-N 2.81Å; H540-Q542 PolarHBondContact O-N 2.85Å; H540-Q542 VanDerWaalsContact O-N 3.1Å; H540-L543 HydrophobicContact CB-CB 4.44Å; H540-L543 HydrophobicContact CB-CD1 3.8Å; H540-L543 HydrophobicContact CB-CG 4.01Å; H540-L543 WeakPolarHBondContact O-CB 3.27Å; H540-L543 PolarHBondContact O-N 3.33Å; H540-D780 IonicContact NE2-OD1 2.8Å; H540-V783 HydrophobicContact CB-CG2 4.39Å
541P85Confident74.4Confident76 Ų7670.3 Ų70.349%0.49436%0.363SS..THydrogen-bonded Turntrans-54.6-37.9-171.4-28.834.4000114.3L543 K544P541-L543 PolarHBondContact O-N 3.47Å; P541-K544 PolarHBondContact O-N 3.26Å
542Q86.4Confident77.1Confident125 Ų12563.5 Ų63.558%0.58435%0.351SS*.THydrogen-bonded Turntrans-70.2-13.9178.6-61.5178.9-7.100114.1H540 R546 V783H540-Q542 VanDerWaalsContact C-N 3.26Å; H540-Q542 PolarHBondContact ND1-N 2.81Å; H540-Q542 PolarHBondContact O-N 2.85Å; H540-Q542 VanDerWaalsContact O-N 3.1Å; Q542-R546 WeakPolarHBondContact O-CD 3.11Å; Q542-V783 HydrophobicContact CB-CG1 3.85Å
543L88.2Confident79.8Confident0 Ų060.7 Ų60.70%032%0.317CS..Hα-helixtrans-87.4-18.4176.8-69177.8000112.9L521 L539 H540 P541 E545 R546 L547 V783 I786L521-L543 HydrophobicContact CB-CD1 4.21Å; L521-L543 HydrophobicContact CD2-CD1 3.7Å; L539-L543 HydrophobicContact CD1-CB 4.01Å; L539-L543 HydrophobicContact CD1-CD1 4.1Å; L539-L543 HydrophobicContact CG-CB 4.36Å; H540-L543 HydrophobicContact CB-CB 4.44Å; H540-L543 HydrophobicContact CB-CD1 3.8Å; H540-L543 HydrophobicContact CB-CG 4.01Å; H540-L543 WeakPolarHBondContact O-CB 3.27Å; H540-L543 PolarHBondContact O-N 3.33Å; P541-L543 PolarHBondContact O-N 3.47Å; L543-E545 PolarHBondContact O-N 2.69Å; L543-R546 PolarHBondContact O-N 3.12Å; L543-L547 HydrophobicContact CB-CD1 4.13Å; L543-L547 HydrophobicContact CB-CG 4.31Å; L543-L547 WeakPolarHBondContact O-CB 3.42Å; L543-L547 WeakPolarHBondContact O-CG 3.28Å; L543-L547 PolarHBondContact O-N 3.26Å; L543-V783 HydrophobicContact CD1-CG2 4.1Å; L543-V783 HydrophobicContact CD2-CB 4.24Å; L543-V783 HydrophobicContact CD2-CG1 4.17Å; L543-V783 HydrophobicContact CD2-CG2 4.01Å; L543-V783 HydrophobicContact CG-CG1 4.49Å; L543-V783 HydrophobicContact CG-CG2 3.89Å; L543-I786 HydrophobicContact CD2-CB 4.1Å; L543-I786 HydrophobicContact CD2-CD1 3.85Å; L543-I786 HydrophobicContact CD2-CG2 3.91Å
544K87Confident82.3Confident106 Ų10658.2 Ų58.246%0.46131%0.311SS..Hα-helixtrans-56.5-51.1-171.8-72.3-171.7175.9-173.50112.9L539 P541 K548 Y576L539-K544 HydrophobicContact CD2-CG 3.95Å; L539-K544 HydrophobicContact CG-CG 4.39Å; P541-K544 PolarHBondContact O-N 3.26Å; K544-K548 PolarHBondContact O-N 3.24Å; K544-Y576 WeakPolarHBondContact CA-OH 3.18Å; K544-Y576 WeakPolarHBondContact O-CE1 3.44Å; K544-Y576 PolarHBondContact O-OH 3.23Å
545E87.7Confident84.3Confident143 Ų14360.2 Ų60.267%0.66831%0.305SS*.Hα-helixtrans-72.8-40178.2-64.8-56.8136.300111.9L543 K548 E549L543-E545 PolarHBondContact O-N 2.69Å; E545-K548 WeakPolarHBondContact O-CB 3.26Å; E545-K548 PolarHBondContact O-N 2.97Å; E545-K548 VanDerWaalsContact O-N 3.15Å; E545-E549 PolarHBondContact O-N 2.69Å
546R89.3Confident86Confident83 Ų8359.8 Ų59.831%0.31330%0.304SS..Hα-helixtrans-65.3-42.4-177.8-65.2-179.2173.6-178.81.3112.7Q542 L543 K548 E549 L550 V783 I786 G787Q542-R546 WeakPolarHBondContact O-CD 3.11Å; L543-R546 PolarHBondContact O-N 3.12Å; R546-K548 VanDerWaalsContact C-N 3.28Å; R546-K548 PolarHBondContact O-N 2.85Å; R546-E549 WeakPolarHBondContact O-CB 3.38Å; R546-E549 PolarHBondContact O-N 3.17Å; R546-L550 WeakPolarHBondContact O-CG 3.37Å; R546-L550 PolarHBondContact O-N 3.45Å; R546-V783 PolarHBondContact NH1-O 2.9Å; R546-I786 HydrophobicContact CB-CG2 3.88Å; R546-G787 VanDerWaalsContact CZ-CA 3.48Å; R546-G787 VanDerWaalsContact NH1-CA 3.25Å
547L89.3Confident87.3Confident0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-66.1-34.3174.6-75.6175.8000111.4L515 L539 L543 E549 L550 C551 F573 Y576 I786L515-L547 HydrophobicContact CD1-CD2 4.05Å; L539-L547 HydrophobicContact CD1-CD1 3.74Å; L539-L547 HydrophobicContact CD2-CD1 3.95Å; L539-L547 HydrophobicContact CG-CD1 4.47Å; L543-L547 HydrophobicContact CB-CD1 4.13Å; L543-L547 HydrophobicContact CB-CG 4.31Å; L543-L547 WeakPolarHBondContact O-CB 3.42Å; L543-L547 WeakPolarHBondContact O-CG 3.28Å; L543-L547 PolarHBondContact O-N 3.26Å; L547-E549 VanDerWaalsContact C-N 3.33Å; L547-L550 HydrophobicContact CD2-CD1 4.45Å; L547-L550 PolarHBondContact O-N 3.34Å; L547-C551 VanDerWaalsContact O-CB 3.31Å; L547-C551 WeakPolarHBondContact O-CB 3.44Å; L547-C551 PolarHBondContact O-N 2.96Å; L547-C551 PolarHBondContact O-SG 2.78Å; L547-F573 HydrophobicContact CD1-CE1 4.18Å; L547-Y576 HydrophobicContact CB-CD1 4.1Å; L547-Y576 HydrophobicContact CB-CE1 3.77Å; L547-I786 HydrophobicContact CD2-CD1 4.47Å
548K89.7Confident88.2Confident107 Ų10756 Ų5647%0.46528%0.284SS..Hα-helixtrans-64.9-41.2176.5-166.5171.6-175.5169.60110.9K544 E545 R546 S552 Y576K544-K548 PolarHBondContact O-N 3.24Å; E545-K548 WeakPolarHBondContact O-CB 3.26Å; E545-K548 PolarHBondContact O-N 2.97Å; E545-K548 VanDerWaalsContact O-N 3.15Å; R546-K548 VanDerWaalsContact C-N 3.28Å; R546-K548 PolarHBondContact O-N 2.85Å; K548-S552 WeakPolarHBondContact O-CB 3.41Å; K548-S552 PolarHBondContact O-N 3.09Å; K548-S552 VanDerWaalsContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 2.76Å; K548-Y576 HydrophobicContact CB-CD1 4.25Å; K548-Y576 HydrophobicContact CB-CE1 3.9Å
549E89.6Confident88.7Confident72 Ų7252 Ų5234%0.33627%0.265SS..Hα-helixtrans-62.3-48.9173.5-170.6176179.500111.9E545 R546 L547 C551 S552 D553 N794E545-E549 PolarHBondContact O-N 2.69Å; R546-E549 WeakPolarHBondContact O-CB 3.38Å; R546-E549 PolarHBondContact O-N 3.17Å; L547-E549 VanDerWaalsContact C-N 3.33Å; E549-C551 PolarHBondContact O-N 2.85Å; E549-S552 PolarHBondContact O-N 3.44Å; E549-D553 PolarHBondContact O-N 3.37Å; E549-N794 PolarHBondContact OE1-ND2 3.33Å
550L89.7Confident89.1Confident1 Ų151.7 Ų51.71%0.00526%0.264CS..Hα-helixtrans-61.2-42.2176.6-73.3176.3000113.1Y505 L513 R546 L547 S552 D553 I786Y505-L550 VanDerWaalsContact OH-CD2 3.27Å; Y505-L550 WeakPolarHBondContact OH-CD2 3.38Å; L513-L550 HydrophobicContact CD1-CD1 4.02Å; L513-L550 HydrophobicContact CD1-CD2 4.34Å; R546-L550 WeakPolarHBondContact O-CG 3.37Å; R546-L550 PolarHBondContact O-N 3.45Å; L547-L550 HydrophobicContact CD2-CD1 4.45Å; L547-L550 PolarHBondContact O-N 3.34Å; L550-S552 PolarHBondContact O-N 3.06Å; L550-D553 PolarHBondContact O-N 2.83Å; L550-I786 HydrophobicContact CD1-CG2 3.76Å
551C89.1Confident89.4Confident5 Ų551 Ų513%0.03426%0.261CS..Hα-helixtrans-73.4-15.9179.7-63.10000113.1L547 E549 N577 M578L547-C551 VanDerWaalsContact O-CB 3.31Å; L547-C551 WeakPolarHBondContact O-CB 3.44Å; L547-C551 PolarHBondContact O-N 2.96Å; L547-C551 PolarHBondContact O-SG 2.78Å; E549-C551 PolarHBondContact O-N 2.85Å; C551-N577 HydrophobicContact CB-CB 4.31Å; C551-N577 WeakPolarHBondContact CB-O 3.36Å; C551-M578 WeakPolarHBondContact SG-CE 3.47Å
552S88.4Confident89.5Confident91 Ų9147.5 Ų47.564%0.63624%0.238SC*.Hα-helixtrans-85.8-15.7176-59.50000112.5K548 E549 L550 P554K548-S552 WeakPolarHBondContact O-CB 3.41Å; K548-S552 PolarHBondContact O-N 3.09Å; K548-S552 VanDerWaalsContact O-N 3.09Å; K548-S552 PolarHBondContact O-OG 2.76Å; E549-S552 PolarHBondContact O-N 3.44Å; L550-S552 PolarHBondContact O-N 3.06Å; S552-P554 WeakPolarHBondContact O-CD 3.49Å
553D87.9Confident89.3Confident21 Ų2143.3 Ų43.311%0.11222%0.216CC..  trans-73.7115.9176.2175.99.4000110.6R511 E549 L550 K555 T556 N793R511-D553 IonicContact NH1-OD2 2.66Å; R511-D553 PolarHBondContact NH1-OD2 3.14Å; R511-D553 VanDerWaalsContact NH1-OD2 3.17Å; E549-D553 PolarHBondContact O-N 3.37Å; L550-D553 PolarHBondContact O-N 2.83Å; D553-K555 PolarHBondContact O-N 3.37Å; D553-K555 VanDerWaalsContact O-N 3.12Å; D553-K555 WeakPolarHBondContact OD1-CB 3.4Å; D553-K555 PolarHBondContact OD1-N 3.37Å; D553-T556 PolarHBondContact O-N 3.25Å; D553-T556 PolarHBondContact OD2-OG1 3.02Å; D553-N793 PolarHBondContact OD2-ND2 3.08Å
554P86.1Confident89.1Confident125 Ų12543.9 Ų43.981%0.81222%0.22SC*.THydrogen-bonded Turntrans-64-18.6-179.127.3-35.7000113.6S552 T556S552-P554 WeakPolarHBondContact O-CD 3.49Å; P554-T556 VanDerWaalsContact C-N 3.33Å
555K88.1Confident89.1Confident93 Ų9342.3 Ų42.340%0.40422%0.215SC..THydrogen-bonded Turntrans-82.5-10.1175.5-62.7-175.1178-174.50113.2N510 R511 D553N510-K555 WeakPolarHBondContact CA-O 3.3Å; R511-K555 PolarHBondContact N-O 3.1Å; D553-K555 PolarHBondContact O-N 3.37Å; D553-K555 VanDerWaalsContact O-N 3.12Å; D553-K555 WeakPolarHBondContact OD1-CB 3.4Å; D553-K555 PolarHBondContact OD1-N 3.37Å
556T90.4Very high89.1Confident8 Ų837.7 Ų37.75%0.04919%0.192CC..EExtended strand (participates in β ladder)trans-118.4120.8-171-58.70000110.8Y505 R511 L513 D553 P554 V558Y505-T556 PolarHBondContact OH-OG1 2.85Å; R511-T556 HydrophobicContact CB-CG2 4.48Å; R511-T556 WeakPolarHBondContact O-CA 3.38Å; L513-T556 HydrophobicContact CD1-CG2 3.7Å; L513-T556 HydrophobicContact CG-CG2 3.87Å; D553-T556 PolarHBondContact O-N 3.25Å; D553-T556 PolarHBondContact OD2-OG1 3.02Å; P554-T556 VanDerWaalsContact C-N 3.33Å; T556-V558 HydrophobicContact CG2-CG2 4.18Å
557T91.7Very high89.1Confident14 Ų1437.1 Ų37.19%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-103.6123.4171.2-61.70000108.9R511 L512 L513 I696R511-T557 PolarHBondContact O-N 2.75Å; L512-T557 WeakPolarHBondContact CA-O 3.41Å; L512-T557 HydrophobicContact CD1-CG2 4.1Å; L513-T557 PolarHBondContact N-O 2.83Å; T557-I696 HydrophobicContact CG2-CD1 4.07Å
558V93.2Very high89Confident1 Ų138.8 Ų38.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-103.9135.9178.8-174.80000109.7L513 L515 T556 M578 W579L513-V558 HydrophobicContact CB-CG2 4.37Å; L513-V558 HydrophobicContact CD1-CG2 4.34Å; L513-V558 CarbonylContact O-C 3.59Å; L513-V558 WeakPolarHBondContact O-CA 3.26Å; L515-V558 HydrophobicContact CD1-CG1 3.96Å; T556-V558 HydrophobicContact CG2-CG2 4.18Å; V558-M578 HydrophobicContact CB-CB 4.07Å; V558-M578 HydrophobicContact CG1-CB 4.42Å; V558-M578 HydrophobicContact CG1-CE 4.49Å; V558-M578 WeakPolarHBondContact O-CA 3.34Å; V558-M578 WeakPolarHBondContact O-CB 3.44Å; V558-W579 PolarHBondContact O-N 3.44Å
559V94.4Very high89Confident0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-126.5126.4176.3-175.50000108.6L512 L513 I514 L515 L561 W579 M689 I692L512-V559 HydrophobicContact CD1-CG2 3.66Å; L513-V559 PolarHBondContact O-N 2.65Å; I514-V559 CarbonylContact C-O 3.55Å; I514-V559 WeakPolarHBondContact CA-O 3.32Å; L515-V559 PolarHBondContact N-O 2.89Å; V559-L561 HydrophobicContact CG1-CD2 3.82Å; V559-L561 HydrophobicContact CG1-CG 4.36Å; V559-W579 CarbonylContact C-O 3.52Å; V559-W579 WeakPolarHBondContact CA-O 3.31Å; V559-W579 HydrophobicContact CB-CB 4.35Å; V559-W579 HydrophobicContact CG1-CB 4.13Å; V559-W579 HydrophobicContact CG2-CB 4.05Å; V559-M689 HydrophobicContact CB-SD 4.43Å; V559-M689 HydrophobicContact CG1-CE 4.49Å; V559-M689 HydrophobicContact CG1-SD 3.76Å; V559-M689 HydrophobicContact CG2-CE 4.37Å; V559-I692 HydrophobicContact CG1-CD1 3.71Å; V559-I692 HydrophobicContact CG1-CG2 4.46Å; V559-I692 HydrophobicContact CG2-CG2 4.2Å
560V93.9Very high89Confident0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-108.1121.7174178.70000109.8L515 F517 L521 L569 F573 M578 W579 L580 A581L515-V560 CarbonylContact O-C 3.59Å; L515-V560 VanDerWaalsContact O-CA 3.26Å; L515-V560 WeakPolarHBondContact O-CA 3.47Å; F517-V560 HydrophobicContact CB-CG1 3.95Å; L521-V560 HydrophobicContact CD1-CG1 4.34Å; L521-V560 HydrophobicContact CD1-CG2 4.13Å; V560-L569 HydrophobicContact CG1-CD2 4.46Å; V560-F573 HydrophobicContact CG1-CD2 4.49Å; V560-F573 HydrophobicContact CG1-CE2 4Å; V560-F573 HydrophobicContact CG1-CZ 4.22Å; V560-F573 HydrophobicContact CG2-CE1 4.44Å; V560-M578 HydrophobicContact CB-SD 4.47Å; V560-M578 HydrophobicContact CG2-SD 3.57Å; V560-M578 VanDerWaalsContact CG2-SD 3.57Å; V560-W579 PolarHBondContact N-O 2.93Å; V560-L580 HydrophobicContact CB-CD2 3.89Å; V560-L580 HydrophobicContact CG2-CD2 4.37Å; V560-A581 PolarHBondContact O-N 3.17Å
561L92Very high89Confident1 Ų138.6 Ų38.61%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-104.9126.4177.4-55.1-179000110I514 L515 G516 F517 V559 A581 K685 M689 I692 F715 V722I514-L561 HydrophobicContact CG2-CD1 3.55Å; I514-L561 HydrophobicContact CG2-CG 3.99Å; L515-L561 PolarHBondContact O-N 2.93Å; G516-L561 CarbonylContact C-O 3.56Å; G516-L561 WeakPolarHBondContact CA-O 3.36Å; F517-L561 PolarHBondContact N-O 3.19Å; V559-L561 HydrophobicContact CG1-CD2 3.82Å; V559-L561 HydrophobicContact CG1-CG 4.36Å; L561-A581 HydrophobicContact CD2-CB 3.52Å; L561-K685 HydrophobicContact CB-CD 4.06Å; L561-K685 HydrophobicContact CB-CG 4.41Å; L561-K685 HydrophobicContact CD1-CB 4.09Å; L561-K685 HydrophobicContact CD1-CD 4.36Å; L561-K685 HydrophobicContact CD1-CG 4.42Å; L561-M689 HydrophobicContact CD1-CG 3.95Å; L561-M689 HydrophobicContact CD1-SD 3.96Å; L561-M689 HydrophobicContact CD2-SD 3.9Å; L561-M689 HydrophobicContact CG-SD 4.32Å; L561-I692 HydrophobicContact CD2-CD1 4.13Å; L561-F715 HydrophobicContact CB-CE1 4.48Å; L561-F715 HydrophobicContact CD1-CZ 4.47Å; L561-V722 HydrophobicContact CD1-CG2 3.89Å
562S88.1Confident89.1Confident2 Ų239.3 Ų39.31%0.01421%0.213CC..  trans-136.6154.3-176.7-165.80000113S564 A581 E583 N584S562-S564 VanDerWaalsContact OG-CB 3.32Å; S562-S564 WeakPolarHBondContact OG-CB 3.34Å; S562-S564 PolarHBondContact OG-N 3.45Å; S562-S564 PolarHBondContact OG-OG 3.49Å; S562-A581 PolarHBondContact N-O 2.93Å; S562-E583 PolarHBondContact O-N 2.9Å; S562-N584 PolarHBondContact O-N 3.21Å
563R81.8Confident89.3Confident36 Ų3635 Ų3514%0.13618%0.183CC..SBendtrans-86-15.5164.871.1-179.688.7167.11.1112.2N584R563-N584 WeakPolarHBondContact CA-OD1 3.46Å; R563-N584 WeakPolarHBondContact CB-OD1 3.42Å
564S84.2Confident89.2Confident12 Ų1235.5 Ų35.58%0.08419%0.193CC..SBendtrans-74.3159.9-175.6-50.80000112.5L537 S562 A582 E583L537-S564 WeakPolarHBondContact CD1-OG 3.4Å; S562-S564 VanDerWaalsContact OG-CB 3.32Å; S562-S564 WeakPolarHBondContact OG-CB 3.34Å; S562-S564 PolarHBondContact OG-N 3.45Å; S562-S564 PolarHBondContact OG-OG 3.49Å; S564-A582 WeakPolarHBondContact O-CB 3.31Å; S564-E583 PolarHBondContact O-N 2.96Å; S564-E583 VanDerWaalsContact O-N 3.08Å
565E85.9Confident89.3Confident74 Ų7437.9 Ų37.935%0.34619%0.193SC..  trans-63.8160.7174.2-60.9179.6-179.100113C567 I568 L569E565-C567 VanDerWaalsContact C-N 3.27Å; E565-C567 PolarHBondContact O-N 3.48Å; E565-C567 PolarHBondContact OE2-SG 2.97Å; E565-C567 VanDerWaalsContact OE2-SG 3.41Å; E565-I568 PolarHBondContact O-N 2.94Å; E565-L569 PolarHBondContact O-N 2.72Å
566K89.1Confident89.4Confident45 Ų4534.8 Ų34.820%0.19618%0.179CC..Hα-helixtrans-50-44.5175.7-64.9171.9-69.4-156.30112.6I568 L569 D570 A582 F587 W595 E631K566-I568 VanDerWaalsContact C-N 3.34Å; K566-I568 PolarHBondContact O-N 3.18Å; K566-L569 PolarHBondContact O-N 2.96Å; K566-D570 PolarHBondContact O-N 2.78Å; K566-A582 HydrophobicContact CG-CB 3.98Å; K566-F587 HydrophobicContact CD-CB 4.04Å; K566-F587 HydrophobicContact CD-CD1 3.93Å; K566-F587 HydrophobicContact CD-CD2 4.2Å; K566-F587 HydrophobicContact CD-CE1 4.45Å; K566-F587 HydrophobicContact CD-CG 3.8Å; K566-F587 HydrophobicContact CG-CB 4.1Å; K566-F587 HydrophobicContact CG-CD2 4.32Å; K566-F587 HydrophobicContact CG-CG 4.17Å; K566-W595 HydrophobicContact CB-CD2 4.1Å; K566-W595 HydrophobicContact CB-CG 4.45Å; K566-W595 HydrophobicContact CB-CZ2 3.98Å; K566-W595 HydrophobicContact CD-CB 4.1Å; K566-W595 HydrophobicContact CD-CD2 3.94Å; K566-W595 HydrophobicContact CD-CE3 4.35Å; K566-W595 HydrophobicContact CD-CG 3.83Å; K566-W595 HydrophobicContact CG-CD2 3.66Å; K566-W595 HydrophobicContact CG-CE3 3.91Å; K566-W595 HydrophobicContact CG-CG 4.06Å; K566-W595 HydrophobicContact CG-CH2 4.43Å; K566-W595 HydrophobicContact CG-CZ2 4.18Å; K566-W595 HydrophobicContact CG-CZ3 4.3Å; K566-E631 WeakPolarHBondContact CE-OE1 3.4Å; K566-E631 IonicContact NZ-OE1 3.86Å; K566-E631 PolarHBondContact NZ-OE1 3.46Å; K566-E631 IonicContact NZ-OE2 3.17Å; K566-E631 PolarHBondContact NZ-OE2 3.08Å
567C88.4Confident89.5Confident72 Ų7238.6 Ų38.649%0.48620%0.199SC..Hα-helixtrans-62.4-37.5-17568.90000113.2E565 K571E565-C567 VanDerWaalsContact C-N 3.27Å; E565-C567 PolarHBondContact O-N 3.48Å; E565-C567 PolarHBondContact OE2-SG 2.97Å; E565-C567 VanDerWaalsContact OE2-SG 3.41Å; C567-K571 WeakPolarHBondContact O-CB 3.34Å; C567-K571 PolarHBondContact O-N 3.3Å
568I86.8Confident89.5Confident35 Ų3538 Ų3818%0.17920%0.196CC..Hα-helixtrans-69.4-41.5179-65.9172.4000110F517 L537 E565 K566 N572F517-I568 HydrophobicContact CE1-CG2 3.68Å; F517-I568 HydrophobicContact CZ-CG2 4.33Å; L537-I568 HydrophobicContact CB-CG2 4.16Å; E565-I568 PolarHBondContact O-N 2.94Å; K566-I568 VanDerWaalsContact C-N 3.34Å; K566-I568 PolarHBondContact O-N 3.18Å; I568-N572 PolarHBondContact O-N 2.9Å; I568-N572 PolarHBondContact O-ND2 2.89Å
569L89.7Confident89.5Confident0 Ų038.7 Ų38.70%020%0.198CC..Hα-helixtrans-69.1-40.1177.5-67.3-176.5000112F517 V560 E565 K566 K571 N572 F573 L580 A582 W595F517-L569 HydrophobicContact CD1-CD2 3.93Å; F517-L569 HydrophobicContact CE1-CD2 4.38Å; F517-L569 HydrophobicContact CG-CD2 4.24Å; V560-L569 HydrophobicContact CG1-CD2 4.46Å; E565-L569 PolarHBondContact O-N 2.72Å; K566-L569 PolarHBondContact O-N 2.96Å; L569-K571 PolarHBondContact O-N 3.14Å; L569-N572 PolarHBondContact O-N 3.48Å; L569-F573 HydrophobicContact CD2-CD2 3.83Å; L569-F573 HydrophobicContact CD2-CE2 3.81Å; L569-F573 WeakPolarHBondContact O-CA 3.5Å; L569-F573 WeakPolarHBondContact O-CB 3.45Å; L569-F573 PolarHBondContact O-N 3.48Å; L569-L580 HydrophobicContact CB-CD1 4.27Å; L569-L580 HydrophobicContact CD1-CB 4.31Å; L569-A582 HydrophobicContact CD1-CB 3.85Å; L569-W595 HydrophobicContact CB-CH2 4.19Å; L569-W595 HydrophobicContact CB-CZ2 4.18Å; L569-W595 HydrophobicContact CD1-CH2 3.86Å
570D90.7Very high89.4Confident51 Ų5138.7 Ų38.727%0.27320%0.198SC..Hα-helixtrans-62.8-43.2176.2-72.7-15000111.8K566 N572 G574 R589 W595K566-D570 PolarHBondContact O-N 2.78Å; D570-N572 VanDerWaalsContact C-N 3.31Å; D570-N572 PolarHBondContact O-N 3.23Å; D570-G574 WeakPolarHBondContact O-CA 3.29Å; D570-G574 PolarHBondContact O-N 3.45Å; D570-R589 IonicContact OD1-CZ 3.4Å; D570-R589 IonicContact OD1-NH1 3.75Å; D570-R589 PolarHBondContact OD1-NH1 3.39Å; D570-R589 IonicContact OD2-NH1 2.82Å; D570-R589 PolarHBondContact OD2-NH1 3.08Å; D570-W595 VanDerWaalsContact CG-NE1 3.31Å; D570-W595 VanDerWaalsContact OD1-CZ2 3.27Å; D570-W595 WeakPolarHBondContact OD1-CZ2 3.21Å; D570-W595 PolarHBondContact OD1-NE1 2.94Å; D570-W595 PolarHBondContact OD2-NE1 3.35Å
571K90.1Very high89.3Confident125 Ų12538.8 Ų38.854%0.54320%0.199SC..Hα-helixtrans-59.6-40.3176.2-179.3-173.5168.9-165.80112.2N536 E538 C567 L569N536-K571 PolarHBondContact OD1-NZ 3.31Å; E538-K571 IonicContact OE1-NZ 2.63Å; E538-K571 PolarHBondContact OE1-NZ 3.4Å; C567-K571 WeakPolarHBondContact O-CB 3.34Å; C567-K571 PolarHBondContact O-N 3.3Å; L569-K571 PolarHBondContact O-N 3.14Å
572N89.7Confident89.2Confident20 Ų2038.7 Ų38.711%0.10720%0.198CC..Hα-helixtrans-90.2-32.3-173.3-78.1-78.8000113.7F517 L537 E538 L539 I568 L569 D570 Y576F517-N572 HydrophobicContact CZ-CB 4.38Å; L537-N572 PolarHBondContact O-ND2 3.47Å; E538-N572 WeakPolarHBondContact CA-OD1 2.94Å; L539-N572 PolarHBondContact N-OD1 2.97Å; I568-N572 PolarHBondContact O-N 2.9Å; I568-N572 PolarHBondContact O-ND2 2.89Å; L569-N572 PolarHBondContact O-N 3.48Å; D570-N572 VanDerWaalsContact C-N 3.31Å; D570-N572 PolarHBondContact O-N 3.23Å; N572-Y576 WeakPolarHBondContact O-CE2 3.42Å
573F92.4Very high89Confident0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-126.3-1-167.9-57.3-69.6000114.6F517 L521 L539 L547 V560 L569 E575 Y576 M578 L580 T591F517-F573 AromaticContact CD2-CE2 3.52Å; F517-F573 HydrophobicContact CD2-CE2 3.52Å; F517-F573 AromaticContact CD2-CZ 3.49Å; F517-F573 HydrophobicContact CD2-CZ 3.49Å; F517-F573 VanDerWaalsContact CD2-CZ 3.49Å; F517-F573 AromaticContact CE2-CE2 3.59Å; F517-F573 HydrophobicContact CE2-CE2 3.59Å; F517-F573 AromaticContact CE2-CZ 3.59Å; F517-F573 HydrophobicContact CE2-CZ 3.59Å; F517-F573 HydrophobicContact CG-CE2 4.06Å; F517-F573 HydrophobicContact CG-CZ 4.4Å; F517-F573 HydrophobicContact CZ-CE2 4.17Å; L521-F573 HydrophobicContact CD1-CE1 4.18Å; L521-F573 HydrophobicContact CD1-CZ 3.94Å; L539-F573 HydrophobicContact CD1-CE1 3.89Å; L539-F573 HydrophobicContact CD1-CZ 4.15Å; L539-F573 HydrophobicContact CD2-CE1 4.07Å; L539-F573 HydrophobicContact CG-CE1 4.46Å; L547-F573 HydrophobicContact CD1-CE1 4.18Å; V560-F573 HydrophobicContact CG1-CD2 4.49Å; V560-F573 HydrophobicContact CG1-CE2 4Å; V560-F573 HydrophobicContact CG1-CZ 4.22Å; V560-F573 HydrophobicContact CG2-CE1 4.44Å; L569-F573 HydrophobicContact CD2-CD2 3.83Å; L569-F573 HydrophobicContact CD2-CE2 3.81Å; L569-F573 WeakPolarHBondContact O-CA 3.5Å; L569-F573 WeakPolarHBondContact O-CB 3.45Å; L569-F573 PolarHBondContact O-N 3.48Å; F573-E575 PolarHBondContact O-N 3.33Å; F573-E575 VanDerWaalsContact O-N 3.11Å; F573-Y576 HydrophobicContact CB-CD2 4.37Å; F573-Y576 HydrophobicContact CD1-CD2 4.44Å; F573-Y576 WeakPolarHBondContact O-CD2 3.27Å; F573-Y576 PolarHBondContact O-N 3.44Å; F573-M578 HydrophobicContact CB-SD 3.86Å; F573-M578 HydrophobicContact CD1-CE 4.02Å; F573-M578 HydrophobicContact CD1-SD 3.79Å; F573-M578 HydrophobicContact CG-SD 3.98Å; F573-L580 HydrophobicContact CB-CD1 4.17Å; F573-L580 HydrophobicContact CB-CD2 3.77Å; F573-L580 HydrophobicContact CD2-CD2 4.18Å; F573-L580 HydrophobicContact CG-CD2 4.12Å; F573-T591 WeakPolarHBondContact O-CG2 3.16Å
574G86.9Confident88.9Confident32 Ų3237.2 Ų37.233%0.3319%0.193SC..THydrogen-bonded Turntrans-59.5-25.5-175.200000115.2D570D570-G574 WeakPolarHBondContact O-CA 3.29Å; D570-G574 PolarHBondContact O-N 3.45Å
575E88.5Confident88.7Confident174 Ų17436.6 Ų36.681%0.81319%0.189SC*.THydrogen-bonded Turntrans-86.7-6.7179.3-61-174.7176.900114.3F573F573-E575 PolarHBondContact O-N 3.33Å; F573-E575 VanDerWaalsContact O-N 3.11Å
576Y90.6Very high88.5Confident29 Ų2933.8 Ų33.811%0.11418%0.175CC..SBendtrans-95.5166.1-175.5-60.6-98.4000111.1L539 K544 L547 K548 N572 F573 M578 T591L539-Y576 HydrophobicContact CD2-CE2 4.5Å; K544-Y576 WeakPolarHBondContact CA-OH 3.18Å; K544-Y576 WeakPolarHBondContact O-CE1 3.44Å; K544-Y576 PolarHBondContact O-OH 3.23Å; L547-Y576 HydrophobicContact CB-CD1 4.1Å; L547-Y576 HydrophobicContact CB-CE1 3.77Å; K548-Y576 HydrophobicContact CB-CD1 4.25Å; K548-Y576 HydrophobicContact CB-CE1 3.9Å; N572-Y576 WeakPolarHBondContact O-CE2 3.42Å; F573-Y576 HydrophobicContact CB-CD2 4.37Å; F573-Y576 HydrophobicContact CD1-CD2 4.44Å; F573-Y576 WeakPolarHBondContact O-CD2 3.27Å; F573-Y576 PolarHBondContact O-N 3.44Å; Y576-M578 HydrophobicContact CD1-CE 4Å; Y576-M578 HydrophobicContact CD2-CE 4.37Å; Y576-M578 HydrophobicContact CG-CE 3.64Å; Y576-T591 WeakPolarHBondContact O-CB 3.41Å; Y576-T591 WeakPolarHBondContact O-CG2 2.88Å; Y576-T591 PolarHBondContact O-OG1 3.32Å
577N90.7Very high88.4Confident87 Ų8732 Ų3247%0.46517%0.168SC..SBendtrans-10388.5174.3-175.631.2000110.1C551 H590 T591C551-N577 HydrophobicContact CB-CB 4.31Å; C551-N577 WeakPolarHBondContact CB-O 3.36Å; N577-H590 PolarHBondContact OD1-CE1 2.92Å; N577-H590 PolarHBondContact OD1-NE2 3.38Å; N577-T591 WeakPolarHBondContact CA-OG1 3.38Å
578M92.7Very high88.4Confident2 Ų229 Ų291%0.0115%0.147CC..  trans-154168.5-172.862.9176.269.500112.7C551 V558 V560 F573 Y576 L580 H590 T591C551-M578 WeakPolarHBondContact SG-CE 3.47Å; V558-M578 HydrophobicContact CB-CB 4.07Å; V558-M578 HydrophobicContact CG1-CB 4.42Å; V558-M578 HydrophobicContact CG1-CE 4.49Å; V558-M578 WeakPolarHBondContact O-CA 3.34Å; V558-M578 WeakPolarHBondContact O-CB 3.44Å; V560-M578 HydrophobicContact CB-SD 4.47Å; V560-M578 HydrophobicContact CG2-SD 3.57Å; V560-M578 VanDerWaalsContact CG2-SD 3.57Å; F573-M578 HydrophobicContact CB-SD 3.86Å; F573-M578 HydrophobicContact CD1-CE 4.02Å; F573-M578 HydrophobicContact CD1-SD 3.79Å; F573-M578 HydrophobicContact CG-SD 3.98Å; Y576-M578 HydrophobicContact CD1-CE 4Å; Y576-M578 HydrophobicContact CD2-CE 4.37Å; Y576-M578 HydrophobicContact CG-CE 3.64Å; M578-L580 HydrophobicContact CG-CD2 3.9Å; M578-L580 HydrophobicContact CG-CG 4.44Å; M578-L580 HydrophobicContact SD-CD2 3.73Å; M578-H590 PolarHBondContact O-CD2 3.2Å; M578-T591 HydrophobicContact CG-CG2 3.77Å; M578-T591 PolarHBondContact N-OG1 3.2Å; M578-T591 VanDerWaalsContact N-OG1 3.11Å; M578-T591 WeakPolarHBondContact O-CG2 3.18Å; M578-T591 PolarHBondContact O-N 2.98Å; M578-T591 PolarHBondContact O-OG1 2.88Å
579W92.9Very high88.6Confident16 Ų1629.4 Ų29.46%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-93138.5168.9-7187.6000110.8V558 V559 V560 R589 H590 I692 E695 I696V558-W579 PolarHBondContact O-N 3.44Å; V559-W579 CarbonylContact C-O 3.52Å; V559-W579 WeakPolarHBondContact CA-O 3.31Å; V559-W579 HydrophobicContact CB-CB 4.35Å; V559-W579 HydrophobicContact CG1-CB 4.13Å; V559-W579 HydrophobicContact CG2-CB 4.05Å; V560-W579 PolarHBondContact N-O 2.93Å; W579-R589 CarbonylContact C-O 3.58Å; W579-R589 WeakPolarHBondContact CA-O 3.49Å; W579-H590 AromaticContact CD1-CD2 3.73Å; W579-H590 HydrophobicContact CD2-CB 4.11Å; W579-H590 AromaticContact CD2-CD2 3.88Å; W579-H590 AromaticContact CE2-CD2 3.51Å; W579-H590 HydrophobicContact CE3-CB 4.02Å; W579-H590 HydrophobicContact CH2-CB 3.86Å; W579-H590 HydrophobicContact CZ2-CB 3.99Å; W579-H590 AromaticContact CZ2-CD2 3.96Å; W579-H590 HydrophobicContact CZ3-CB 3.9Å; W579-H590 AromaticContact NE1-CD2 3.42Å; W579-H590 PolarHBondContact NE1-CD2 3.4Å; W579-I692 HydrophobicContact CB-CG2 4.03Å; W579-I692 HydrophobicContact CD2-CG2 3.88Å; W579-I692 HydrophobicContact CE3-CG1 4.4Å; W579-I692 HydrophobicContact CE3-CG2 4.13Å; W579-I692 HydrophobicContact CG-CG2 3.82Å; W579-E695 HydrophobicContact CH2-CB 3.4Å; W579-E695 HydrophobicContact CH2-CG 4.19Å; W579-E695 HydrophobicContact CZ2-CB 4.11Å; W579-E695 HydrophobicContact CZ3-CB 3.77Å; W579-E695 HydrophobicContact CZ3-CG 4.21Å; W579-I696 HydrophobicContact CD2-CG1 4.49Å; W579-I696 HydrophobicContact CZ2-CG1 3.97Å
580L93.2Very high88.6Confident0 Ų031 Ų310%015%0.153CC..EExtended strand (participates in β ladder)trans-122.1132.9179.8-57.3177.8000109.2V560 L569 F573 M578 L588 R589 T591 W595V560-L580 HydrophobicContact CB-CD2 3.89Å; V560-L580 HydrophobicContact CG2-CD2 4.37Å; L569-L580 HydrophobicContact CB-CD1 4.27Å; L569-L580 HydrophobicContact CD1-CB 4.31Å; F573-L580 HydrophobicContact CB-CD1 4.17Å; F573-L580 HydrophobicContact CB-CD2 3.77Å; F573-L580 HydrophobicContact CD2-CD2 4.18Å; F573-L580 HydrophobicContact CG-CD2 4.12Å; M578-L580 HydrophobicContact CG-CD2 3.9Å; M578-L580 HydrophobicContact CG-CG 4.44Å; M578-L580 HydrophobicContact SD-CD2 3.73Å; L580-L588 WeakPolarHBondContact O-CA 3.43Å; L580-R589 PolarHBondContact N-O 2.75Å; L580-R589 PolarHBondContact O-N 3.08Å; L580-T591 HydrophobicContact CD1-CG2 3.8Å; L580-T591 HydrophobicContact CG-CG2 4.08Å; L580-W595 HydrophobicContact CB-CH2 3.66Å; L580-W595 HydrophobicContact CB-CZ2 4.43Å; L580-W595 HydrophobicContact CB-CZ3 4.21Å; L580-W595 HydrophobicContact CD1-CH2 4.28Å; L580-W595 HydrophobicContact CD1-CZ2 4.25Å
581A91.6Very high88.4Confident1 Ų129.1 Ų29.11%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-118.4111.1168.700000109.6V560 L561 S562 F587 L588 A688 I692V560-A581 PolarHBondContact O-N 3.17Å; L561-A581 HydrophobicContact CD2-CB 3.52Å; S562-A581 PolarHBondContact N-O 2.93Å; A581-F587 WeakPolarHBondContact CA-O 3.32Å; A581-L588 HydrophobicContact CB-CD2 3.57Å; A581-A688 HydrophobicContact CB-CB 4.3Å; A581-I692 HydrophobicContact CB-CD1 4.1Å
582A88.9Confident88Confident0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-91.9155.917500000110.6S564 K566 L569 N584 G585 M586 F587 W595S564-A582 WeakPolarHBondContact O-CB 3.31Å; K566-A582 HydrophobicContact CG-CB 3.98Å; L569-A582 HydrophobicContact CD1-CB 3.85Å; A582-N584 PolarHBondContact O-N 3.45Å; A582-G585 WeakPolarHBondContact O-CA 3.08Å; A582-G585 PolarHBondContact O-N 2.87Å; A582-M586 PolarHBondContact O-N 3.43Å; A582-F587 HydrophobicContact CB-CB 4.25Å; A582-F587 PolarHBondContact N-O 3.37Å; A582-F587 PolarHBondContact O-N 3.4Å; A582-W595 HydrophobicContact CB-CH2 3.83Å; A582-W595 HydrophobicContact CB-CZ3 3.72Å
583E84Confident87.8Confident4 Ų428.8 Ų28.82%0.01916%0.164CC..G310 helixtrans4854.6174.6-62.4-179-141.300112.9S562 S564 G585 M586 F587 S630 E631 A632S562-E583 PolarHBondContact O-N 2.9Å; S564-E583 PolarHBondContact O-N 2.96Å; S564-E583 VanDerWaalsContact O-N 3.08Å; E583-G585 PolarHBondContact O-N 2.9Å; E583-M586 HydrophobicContact CB-CB 3.92Å; E583-M586 WeakPolarHBondContact O-CB 3.49Å; E583-M586 PolarHBondContact O-N 3Å; E583-F587 HydrophobicContact CB-CD2 4.21Å; E583-F587 HydrophobicContact CB-CE2 4.41Å; E583-F587 HydrophobicContact CG-CD2 4.33Å; E583-F587 HydrophobicContact CG-CE2 4.38Å; E583-F587 WeakPolarHBondContact OE1-CE2 3.43Å; E583-F587 WeakPolarHBondContact OE2-CE2 3.48Å; E583-S630 VanDerWaalsContact CD-CB 3.43Å; E583-S630 PolarHBondContact OE2-OG 3.28Å; E583-E631 PolarHBondContact OE1-N 3.03Å; E583-E631 PolarHBondContact OE2-N 3.27Å; E583-E631 VanDerWaalsContact OE2-N 3.16Å; E583-A632 PolarHBondContact OE2-N 2.93Å
584N79.5Confident87.6Confident2 Ų237 Ų371%0.01120%0.203CC..G310 helixtrans56.225.4-179.3-55-29.6000114.4S562 R563 A582 E677 V683 T684 K685S562-N584 PolarHBondContact O-N 3.21Å; R563-N584 WeakPolarHBondContact CA-OD1 3.46Å; R563-N584 WeakPolarHBondContact CB-OD1 3.42Å; A582-N584 PolarHBondContact O-N 3.45Å; N584-E677 PolarHBondContact ND2-OE1 3.34Å; N584-V683 HydrophobicContact CB-CG1 4.22Å; N584-T684 CarbonylContact O-C 3.52Å; N584-K685 PolarHBondContact OD1-NZ 3.47Å
585G80.5Confident87.6Confident0 Ų038 Ų380%020%0.196CC..G310 helixtrans96.69.6179.400000114.7A582 E583 F587 R691A582-G585 WeakPolarHBondContact O-CA 3.08Å; A582-G585 PolarHBondContact O-N 2.87Å; E583-G585 PolarHBondContact O-N 2.9Å; G585-F587 PolarHBondContact O-N 3.11Å; G585-R691 PolarHBondContact O-NH1 3.23Å; G585-R691 PolarHBondContact O-NH2 3.08Å
586M81.8Confident87.4Confident14 Ų1432.8 Ų32.87%0.06918%0.177CC..THydrogen-bonded Turntrans-57-43.2169.8-17475.3-168.400111.1A582 E583 T597 I599 M603 A632 V683A582-M586 PolarHBondContact O-N 3.43Å; E583-M586 HydrophobicContact CB-CB 3.92Å; E583-M586 WeakPolarHBondContact O-CB 3.49Å; E583-M586 PolarHBondContact O-N 3Å; M586-T597 HydrophobicContact CE-CG2 3.86Å; M586-I599 HydrophobicContact CE-CB 3.66Å; M586-I599 HydrophobicContact CE-CD1 4.06Å; M586-I599 HydrophobicContact CE-CG1 3.67Å; M586-I599 HydrophobicContact CE-CG2 3.93Å; M586-I599 HydrophobicContact CG-CD1 4.45Å; M586-I599 HydrophobicContact CG-CG1 4.43Å; M586-I599 HydrophobicContact SD-CB 3.99Å; M586-I599 HydrophobicContact SD-CD1 3.14Å; M586-I599 WeakPolarHBondContact SD-CD1 3.49Å; M586-I599 HydrophobicContact SD-CG1 3.32Å; M586-I599 WeakPolarHBondContact SD-CG1 3.4Å; M586-I599 HydrophobicContact SD-CG2 4.26Å; M586-M603 HydrophobicContact CE-SD 4.31Å; M586-M603 HydrophobicContact SD-SD 4.46Å; M586-A632 HydrophobicContact CB-CB 4.2Å; M586-A632 HydrophobicContact CE-CB 4.22Å; M586-A632 HydrophobicContact CG-CB 3.61Å; M586-A632 HydrophobicContact SD-CB 3.6Å; M586-V683 HydrophobicContact CB-CG1 4.44Å
587F87.7Confident86.8Confident8 Ų835.2 Ų35.24%0.03520%0.195CC..EExtended strand (participates in β ladder)trans-119.3132-180-50.8-87.6000110.1K566 A581 A582 E583 G585 W595 T597 E631K566-F587 HydrophobicContact CD-CB 4.04Å; K566-F587 HydrophobicContact CD-CD1 3.93Å; K566-F587 HydrophobicContact CD-CD2 4.2Å; K566-F587 HydrophobicContact CD-CE1 4.45Å; K566-F587 HydrophobicContact CD-CG 3.8Å; K566-F587 HydrophobicContact CG-CB 4.1Å; K566-F587 HydrophobicContact CG-CD2 4.32Å; K566-F587 HydrophobicContact CG-CG 4.17Å; A581-F587 WeakPolarHBondContact CA-O 3.32Å; A582-F587 HydrophobicContact CB-CB 4.25Å; A582-F587 PolarHBondContact N-O 3.37Å; A582-F587 PolarHBondContact O-N 3.4Å; E583-F587 HydrophobicContact CB-CD2 4.21Å; E583-F587 HydrophobicContact CB-CE2 4.41Å; E583-F587 HydrophobicContact CG-CD2 4.33Å; E583-F587 HydrophobicContact CG-CE2 4.38Å; E583-F587 WeakPolarHBondContact OE1-CE2 3.43Å; E583-F587 WeakPolarHBondContact OE2-CE2 3.48Å; G585-F587 PolarHBondContact O-N 3.11Å; F587-W595 HydrophobicContact CB-CE3 3.72Å; F587-W595 HydrophobicContact CB-CZ3 4.18Å; F587-T597 HydrophobicContact CD1-CG2 4.26Å; F587-T597 WeakPolarHBondContact CD1-OG1 3.25Å; F587-T597 HydrophobicContact CE1-CG2 3.96Å; F587-T597 WeakPolarHBondContact CE1-OG1 3.39Å; F587-E631 HydrophobicContact CE2-CB 4.12Å; F587-E631 HydrophobicContact CZ-CB 3.98Å; F587-E631 WeakPolarHBondContact CZ-OE2 3.49Å
588L88.5Confident85.5Confident8 Ų836.9 Ų36.94%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-121.1141.1179.3-58176.2000109.2L580 A581 V596 A688 R691 I692L580-L588 WeakPolarHBondContact O-CA 3.43Å; A581-L588 HydrophobicContact CB-CD2 3.57Å; L588-V596 PolarHBondContact N-O 2.85Å; L588-V596 PolarHBondContact O-N 3.22Å; L588-A688 HydrophobicContact CD2-CB 4.32Å; L588-R691 HydrophobicContact CD1-CB 3.51Å; L588-I692 HydrophobicContact CD1-CG1 4.15Å; L588-I692 HydrophobicContact CD2-CD1 3.83Å; L588-I692 HydrophobicContact CD2-CG1 3.84Å; L588-I692 HydrophobicContact CG-CG1 4.47Å
589R89.6Confident84.1Confident45 Ų4538.4 Ų38.417%0.1720%0.202CC..EExtended strand (participates in β ladder)trans-146.8134.8177174.7174.3177.2-158.8-2.4109.7D570 W579 L580 T591 G593 W595D570-R589 IonicContact OD1-CZ 3.4Å; D570-R589 IonicContact OD1-NH1 3.75Å; D570-R589 PolarHBondContact OD1-NH1 3.39Å; D570-R589 IonicContact OD2-NH1 2.82Å; D570-R589 PolarHBondContact OD2-NH1 3.08Å; W579-R589 CarbonylContact C-O 3.58Å; W579-R589 WeakPolarHBondContact CA-O 3.49Å; L580-R589 PolarHBondContact N-O 2.75Å; L580-R589 PolarHBondContact O-N 3.08Å; R589-T591 PolarHBondContact NH2-O 3.4Å; R589-G593 PolarHBondContact NE-O 2.66Å; R589-G593 PolarHBondContact NH2-O 3.47Å; R589-W595 HydrophobicContact CB-CD2 3.5Å; R589-W595 VanDerWaalsContact CB-CD2 3.5Å; R589-W595 HydrophobicContact CB-CE3 3.36Å; R589-W595 HydrophobicContact CB-CG 4.07Å; R589-W595 HydrophobicContact CB-CH2 4.07Å; R589-W595 HydrophobicContact CB-CZ2 4.2Å; R589-W595 HydrophobicContact CB-CZ3 3.66Å; R589-W595 HydrophobicContact CG-CD2 4.2Å; R589-W595 HydrophobicContact CG-CG 4.46Å
590H89.6Confident82.5Confident33 Ų3342.2 Ų42.215%0.15323%0.229CC..EExtended strand (participates in β ladder)trans-84.2135.4153.4-171.6-101.6000107.4N577 M578 W579 S592 G593N577-H590 PolarHBondContact OD1-CE1 2.92Å; N577-H590 PolarHBondContact OD1-NE2 3.38Å; M578-H590 PolarHBondContact O-CD2 3.2Å; W579-H590 AromaticContact CD1-CD2 3.73Å; W579-H590 HydrophobicContact CD2-CB 4.11Å; W579-H590 AromaticContact CD2-CD2 3.88Å; W579-H590 AromaticContact CE2-CD2 3.51Å; W579-H590 HydrophobicContact CE3-CB 4.02Å; W579-H590 HydrophobicContact CH2-CB 3.86Å; W579-H590 HydrophobicContact CZ2-CB 3.99Å; W579-H590 AromaticContact CZ2-CD2 3.96Å; W579-H590 HydrophobicContact CZ3-CB 3.9Å; W579-H590 AromaticContact NE1-CD2 3.42Å; W579-H590 PolarHBondContact NE1-CD2 3.4Å; H590-S592 PolarHBondContact ND1-N 2.88Å; H590-S592 PolarHBondContact ND1-OG 3.38Å; H590-S592 PolarHBondContact O-N 3.32Å; H590-G593 WeakPolarHBondContact O-CA 3.42Å; H590-G593 PolarHBondContact O-N 2.91Å
591T86.3Confident80.7Confident12 Ų1251.3 Ų51.37%0.07427%0.271CS..THydrogen-bonded Turntrans-55.9-25.4-173.347.80000113.9F573 Y576 N577 M578 L580 R589 G593F573-T591 WeakPolarHBondContact O-CG2 3.16Å; Y576-T591 WeakPolarHBondContact O-CB 3.41Å; Y576-T591 WeakPolarHBondContact O-CG2 2.88Å; Y576-T591 PolarHBondContact O-OG1 3.32Å; N577-T591 WeakPolarHBondContact CA-OG1 3.38Å; M578-T591 HydrophobicContact CG-CG2 3.77Å; M578-T591 PolarHBondContact N-OG1 3.2Å; M578-T591 VanDerWaalsContact N-OG1 3.11Å; M578-T591 WeakPolarHBondContact O-CG2 3.18Å; M578-T591 PolarHBondContact O-N 2.98Å; M578-T591 PolarHBondContact O-OG1 2.88Å; L580-T591 HydrophobicContact CD1-CG2 3.8Å; L580-T591 HydrophobicContact CG-CG2 4.08Å; R589-T591 PolarHBondContact NH2-O 3.4Å; T591-G593 VanDerWaalsContact C-N 3.32Å; T591-G593 PolarHBondContact O-N 3.43Å
592S83.3Confident79.1Confident101 Ų10159.4 Ų59.471%0.70631%0.309SS*.THydrogen-bonded Turntrans-77.8-6.7173.577.10000115.7H590H590-S592 PolarHBondContact ND1-N 2.88Å; H590-S592 PolarHBondContact ND1-OG 3.38Å; H590-S592 PolarHBondContact O-N 3.32Å
593G85.4Confident77.9Confident36 Ų3661.8 Ų61.837%0.37132%0.32SS..SBendtrans-124.1-168.6-176.800000112.7R589 H590 T591R589-G593 PolarHBondContact NE-O 2.66Å; R589-G593 PolarHBondContact NH2-O 3.47Å; H590-G593 WeakPolarHBondContact O-CA 3.42Å; H590-G593 PolarHBondContact O-N 2.91Å; T591-G593 VanDerWaalsContact C-N 3.32Å; T591-G593 PolarHBondContact O-N 3.43Å
594E86.7Confident77.1Confident173 Ų17366 Ų6681%0.80834%0.343SS*.  trans-93.8162.1177.3-62.4-169161.300112
595W87.6Confident76.9Confident52 Ų5269 Ų6920%0.19736%0.359CS..  trans-68.3130.4172.1-72.3101.6000110.8K566 L569 D570 L580 A582 F587 R589K566-W595 HydrophobicContact CB-CD2 4.1Å; K566-W595 HydrophobicContact CB-CG 4.45Å; K566-W595 HydrophobicContact CB-CZ2 3.98Å; K566-W595 HydrophobicContact CD-CB 4.1Å; K566-W595 HydrophobicContact CD-CD2 3.94Å; K566-W595 HydrophobicContact CD-CE3 4.35Å; K566-W595 HydrophobicContact CD-CG 3.83Å; K566-W595 HydrophobicContact CG-CD2 3.66Å; K566-W595 HydrophobicContact CG-CE3 3.91Å; K566-W595 HydrophobicContact CG-CG 4.06Å; K566-W595 HydrophobicContact CG-CH2 4.43Å; K566-W595 HydrophobicContact CG-CZ2 4.18Å; K566-W595 HydrophobicContact CG-CZ3 4.3Å; L569-W595 HydrophobicContact CB-CH2 4.19Å; L569-W595 HydrophobicContact CB-CZ2 4.18Å; L569-W595 HydrophobicContact CD1-CH2 3.86Å; D570-W595 VanDerWaalsContact CG-NE1 3.31Å; D570-W595 VanDerWaalsContact OD1-CZ2 3.27Å; D570-W595 WeakPolarHBondContact OD1-CZ2 3.21Å; D570-W595 PolarHBondContact OD1-NE1 2.94Å; D570-W595 PolarHBondContact OD2-NE1 3.35Å; L580-W595 HydrophobicContact CB-CH2 3.66Å; L580-W595 HydrophobicContact CB-CZ2 4.43Å; L580-W595 HydrophobicContact CB-CZ3 4.21Å; L580-W595 HydrophobicContact CD1-CH2 4.28Å; L580-W595 HydrophobicContact CD1-CZ2 4.25Å; A582-W595 HydrophobicContact CB-CH2 3.83Å; A582-W595 HydrophobicContact CB-CZ3 3.72Å; F587-W595 HydrophobicContact CB-CE3 3.72Å; F587-W595 HydrophobicContact CB-CZ3 4.18Å; R589-W595 HydrophobicContact CB-CD2 3.5Å; R589-W595 VanDerWaalsContact CB-CD2 3.5Å; R589-W595 HydrophobicContact CB-CE3 3.36Å; R589-W595 HydrophobicContact CB-CG 4.07Å; R589-W595 HydrophobicContact CB-CH2 4.07Å; R589-W595 HydrophobicContact CB-CZ2 4.2Å; R589-W595 HydrophobicContact CB-CZ3 3.66Å; R589-W595 HydrophobicContact CG-CD2 4.2Å; R589-W595 HydrophobicContact CG-CG 4.46Å
596V84.2Confident76.9Confident66 Ų6676.3 Ų76.340%0.439%0.393SS..EExtended strand (participates in β ladder)trans-115.5126.7177.4-1700000109.4L588 R598L588-V596 PolarHBondContact N-O 2.85Å; L588-V596 PolarHBondContact O-N 3.22Å; V596-R598 HydrophobicContact CG1-CG 3.73Å
597T78Confident77Confident80 Ų8076.2 Ų76.249%0.49139%0.392SS..EExtended strand (participates in β ladder)trans-86.9123.1169.2-48.50000108.8M586 F587M586-T597 HydrophobicContact CE-CG2 3.86Å; F587-T597 HydrophobicContact CD1-CG2 4.26Å; F587-T597 WeakPolarHBondContact CD1-OG1 3.25Å; F587-T597 HydrophobicContact CE1-CG2 3.96Å; F587-T597 WeakPolarHBondContact CE1-OG1 3.39Å
598R64.2Low77Confident122 Ų12277 Ų7746%0.4640%0.396SS..  trans-127.554.5-177.6-72.9-151.7174.3175.17.8113.2V596 R691 E695V596-R598 HydrophobicContact CG1-CG 3.73Å; R598-R691 PolarHBondContact O-NH1 2.89Å; R598-E695 IonicContact CZ-OE1 3.23Å; R598-E695 IonicContact NH1-OE1 2.73Å; R598-E695 PolarHBondContact NH1-OE1 2.68Å; R598-E695 IonicContact NH2-OE1 2.97Å; R598-E695 PolarHBondContact NH2-OE1 2.9Å; R598-E695 IonicContact NH2-OE2 2.66Å
599I63.4Low76.9Confident34 Ų3482.5 Ų82.517%0.17443%0.426CS..SBendtrans-122.2144.5179.3-62.7-122.1000108.4M586 M603 V683M586-I599 HydrophobicContact CE-CB 3.66Å; M586-I599 HydrophobicContact CE-CD1 4.06Å; M586-I599 HydrophobicContact CE-CG1 3.67Å; M586-I599 HydrophobicContact CE-CG2 3.93Å; M586-I599 HydrophobicContact CG-CD1 4.45Å; M586-I599 HydrophobicContact CG-CG1 4.43Å; M586-I599 HydrophobicContact SD-CB 3.99Å; M586-I599 HydrophobicContact SD-CD1 3.14Å; M586-I599 WeakPolarHBondContact SD-CD1 3.49Å; M586-I599 HydrophobicContact SD-CG1 3.32Å; M586-I599 WeakPolarHBondContact SD-CG1 3.4Å; M586-I599 HydrophobicContact SD-CG2 4.26Å; I599-M603 HydrophobicContact CB-CE 4.47Å; I599-M603 HydrophobicContact CD1-CE 4.02Å; I599-M603 HydrophobicContact CG2-CB 4.03Å; I599-M603 HydrophobicContact CG2-CE 3.1Å; I599-M603 HydrophobicContact CG2-CG 4.36Å; I599-M603 HydrophobicContact CG2-SD 3.48Å; I599-M603 WeakPolarHBondContact CG2-SD 3.3Å; I599-V683 HydrophobicContact CD1-CB 4.44Å; I599-V683 HydrophobicContact CD1-CG1 4.34Å; I599-V683 HydrophobicContact CD1-CG2 3.37Å
600P58.2Low76.9Confident95 Ų9581.7 Ų81.762%0.61743%0.431SS*.  trans-55.7141.6-172.5-24.134.1000112.9H602 M603P600-H602 PolarHBondContact O-N 3.03Å; P600-M603 PolarHBondContact O-N 2.91Å; P600-M603 VanDerWaalsContact O-N 3.1Å
601E55.6Low77Confident191 Ų19180.1 Ų80.189%0.89342%0.424SS*.THydrogen-bonded Turntrans-55.8-6.2178.9-66.3-179.9165.500114.7
602H58.2Low77.2Confident171 Ų17182.6 Ų82.679%0.79243%0.433SS*.THydrogen-bonded Turntrans-107.812-178.3-53.2-44.9000114.2P600 N604P600-H602 PolarHBondContact O-N 3.03Å; H602-N604 PolarHBondContact O-N 3.22Å
603M64.1Low77.6Confident50 Ų5084.5 Ų84.525%0.24643%0.431CS..  trans-68.5104.3175.8-170172.2-83.600110.1M586 I599 P600 L605 A680 V683M586-M603 HydrophobicContact CE-SD 4.31Å; M586-M603 HydrophobicContact SD-SD 4.46Å; I599-M603 HydrophobicContact CB-CE 4.47Å; I599-M603 HydrophobicContact CD1-CE 4.02Å; I599-M603 HydrophobicContact CG2-CB 4.03Å; I599-M603 HydrophobicContact CG2-CE 3.1Å; I599-M603 HydrophobicContact CG2-CG 4.36Å; I599-M603 HydrophobicContact CG2-SD 3.48Å; I599-M603 WeakPolarHBondContact CG2-SD 3.3Å; P600-M603 PolarHBondContact O-N 2.91Å; P600-M603 VanDerWaalsContact O-N 3.1Å; M603-L605 HydrophobicContact CG-CD2 3.92Å; M603-L605 PolarHBondContact O-N 3.4Å; M603-L605 HydrophobicContact SD-CD2 4.03Å; M603-A680 HydrophobicContact CE-CB 3.35Å; M603-A680 HydrophobicContact CG-CB 4.02Å; M603-A680 HydrophobicContact SD-CB 3.26Å; M603-A680 WeakPolarHBondContact SD-CB 3.4Å; M603-V683 HydrophobicContact CE-CG2 3.95Å
604N67.7Low77.9Confident92 Ų9283.6 Ų83.649%0.49242%0.418SS..  trans-73.6115.5174.5-174.2-12.7000109.2H602 E606 W607H602-N604 PolarHBondContact O-N 3.22Å; N604-E606 PolarHBondContact ND2-OE2 3.04Å; N604-E606 WeakPolarHBondContact OD1-CB 3.43Å; N604-E606 WeakPolarHBondContact OD1-CG 3.44Å; N604-E606 PolarHBondContact OD1-N 3.07Å; N604-E606 PolarHBondContact OD1-OE2 3.45Å; N604-W607 PolarHBondContact O-NE1 2.84Å; N604-W607 VanDerWaalsContact O-NE1 3.11Å
605L75.4Confident78.3Confident66 Ų6675.3 Ų75.335%0.34638%0.38SS..  trans-100.98.7177.8-61.6179.6000113.5M603 W607 I608M603-L605 HydrophobicContact CG-CD2 3.92Å; M603-L605 PolarHBondContact O-N 3.4Å; M603-L605 HydrophobicContact SD-CD2 4.03Å; L605-W607 HydrophobicContact CD2-CZ2 4.24Å; L605-W607 PolarHBondContact O-N 2.96Å; L605-W607 VanDerWaalsContact O-N 3.09Å; L605-I608 HydrophobicContact CB-CD1 3.93Å; L605-I608 HydrophobicContact CB-CG1 4.33Å; L605-I608 HydrophobicContact CD1-CD1 4.35Å; L605-I608 HydrophobicContact CD2-CD1 4.08Å; L605-I608 HydrophobicContact CG-CD1 4.34Å; L605-I608 WeakPolarHBondContact O-CB 3.41Å; L605-I608 WeakPolarHBondContact O-CG1 3.27Å; L605-I608 PolarHBondContact O-N 3Å
606E79Confident78.5Confident153 Ų15378 Ų7872%0.71539%0.392SS*.THydrogen-bonded Turntrans-58.1-24.4178.7-72.3172.5160.900113N604 I608N604-E606 PolarHBondContact ND2-OE2 3.04Å; N604-E606 WeakPolarHBondContact OD1-CB 3.43Å; N604-E606 WeakPolarHBondContact OD1-CG 3.44Å; N604-E606 PolarHBondContact OD1-N 3.07Å; N604-E606 PolarHBondContact OD1-OE2 3.45Å; E606-I608 PolarHBondContact O-N 2.86Å
607W84.8Confident78.8Confident12 Ų1280 Ų805%0.04539%0.394CS..Hα-helixtrans-64.4-25.8175.661.8-96.6000112.9N604 L605 D609 G610 V611 L634 A665 V667 V678 A680N604-W607 PolarHBondContact O-NE1 2.84Å; N604-W607 VanDerWaalsContact O-NE1 3.11Å; L605-W607 HydrophobicContact CD2-CZ2 4.24Å; L605-W607 PolarHBondContact O-N 2.96Å; L605-W607 VanDerWaalsContact O-N 3.09Å; W607-D609 VanDerWaalsContact C-N 3.33Å; W607-D609 PolarHBondContact O-N 2.88Å; W607-G610 PolarHBondContact O-N 2.7Å; W607-V611 HydrophobicContact CE3-CB 4.17Å; W607-V611 HydrophobicContact CE3-CG2 3.75Å; W607-V611 HydrophobicContact CZ3-CB 4.5Å; W607-V611 HydrophobicContact CZ3-CG2 4.38Å; W607-V611 WeakPolarHBondContact O-CB 3.44Å; W607-V611 VanDerWaalsContact O-CG2 3.32Å; W607-V611 WeakPolarHBondContact O-CG2 3.22Å; W607-V611 PolarHBondContact O-N 2.66Å; W607-L634 HydrophobicContact CZ3-CD1 4.28Å; W607-A665 HydrophobicContact CB-CB 3.77Å; W607-A665 HydrophobicContact CG-CB 4.3Å; W607-V667 HydrophobicContact CB-CG1 4.2Å; W607-V667 VanDerWaalsContact CD1-CG1 3.5Å; W607-V667 HydrophobicContact CD2-CG1 3.31Å; W607-V667 HydrophobicContact CE3-CG1 3.91Å; W607-V667 HydrophobicContact CG-CG1 3.42Å; W607-V667 VanDerWaalsContact CG-CG1 3.42Å; W607-V667 HydrophobicContact CZ2-CG1 4Å; W607-V667 HydrophobicContact CZ3-CG1 4.46Å; W607-V678 HydrophobicContact CE3-CG1 3.96Å; W607-V678 HydrophobicContact CH2-CG1 4.18Å; W607-V678 HydrophobicContact CZ3-CB 4.08Å; W607-V678 HydrophobicContact CZ3-CG1 3.56Å; W607-A680 HydrophobicContact CZ2-CB 4.39Å
608I87.1Confident79.5Confident26 Ų2676.3 Ų76.313%0.13337%0.371CS..Hα-helixtrans-57.6-46.2-175.6-69.9-175.8000110.3L605 E606 G610 V611 K612 E631 L634L605-I608 HydrophobicContact CB-CD1 3.93Å; L605-I608 HydrophobicContact CB-CG1 4.33Å; L605-I608 HydrophobicContact CD1-CD1 4.35Å; L605-I608 HydrophobicContact CD2-CD1 4.08Å; L605-I608 HydrophobicContact CG-CD1 4.34Å; L605-I608 WeakPolarHBondContact O-CB 3.41Å; L605-I608 WeakPolarHBondContact O-CG1 3.27Å; L605-I608 PolarHBondContact O-N 3Å; E606-I608 PolarHBondContact O-N 2.86Å; I608-G610 PolarHBondContact O-N 2.86Å; I608-V611 PolarHBondContact O-N 2.87Å; I608-K612 WeakPolarHBondContact O-CB 3.36Å; I608-K612 PolarHBondContact O-N 3.02Å; I608-E631 WeakPolarHBondContact CD1-O 3.39Å; I608-L634 HydrophobicContact CG2-CD1 4.05Å; I608-L634 HydrophobicContact CG2-CD2 4.37Å; I608-L634 HydrophobicContact CG2-CG 4.4Å; I608-L634 WeakPolarHBondContact O-CD1 3.48Å
609D87.5Confident80.8Confident123 Ų12372.2 Ų72.266%0.65836%0.359SS*.Hα-helixtrans-65.2-41.5-178.4-75.2-30.5000111.9W607 K612 H613W607-D609 VanDerWaalsContact C-N 3.33Å; W607-D609 PolarHBondContact O-N 2.88Å; D609-K612 PolarHBondContact O-N 3.15Å; D609-H613 PolarHBondContact O-N 3.46Å
610G89.2Confident81.9Confident27 Ų2778.4 Ų78.428%0.27839%0.387SS..Hα-helixtrans-64-46.3176.600000112.5W607 I608 H613 V614W607-G610 PolarHBondContact O-N 2.7Å; I608-G610 PolarHBondContact O-N 2.86Å; G610-H613 WeakPolarHBondContact O-CB 3.49Å; G610-H613 PolarHBondContact O-N 3.14Å; G610-V614 PolarHBondContact O-N 3.31Å
611V90.8Very high83.4Confident0 Ų078.7 Ų78.70%038%0.376CS..Hα-helixtrans-65.9-42.3176.9174.10000111W607 I608 H613 V614 F615 L634 L657 P661 I662 V678W607-V611 HydrophobicContact CE3-CB 4.17Å; W607-V611 HydrophobicContact CE3-CG2 3.75Å; W607-V611 HydrophobicContact CZ3-CB 4.5Å; W607-V611 HydrophobicContact CZ3-CG2 4.38Å; W607-V611 WeakPolarHBondContact O-CB 3.44Å; W607-V611 VanDerWaalsContact O-CG2 3.32Å; W607-V611 WeakPolarHBondContact O-CG2 3.22Å; W607-V611 PolarHBondContact O-N 2.66Å; I608-V611 PolarHBondContact O-N 2.87Å; V611-H613 VanDerWaalsContact C-N 3.27Å; V611-H613 PolarHBondContact O-N 3.39Å; V611-V614 PolarHBondContact O-N 3.33Å; V611-V614 VanDerWaalsContact O-N 3.16Å; V611-F615 HydrophobicContact CG1-CD1 4.26Å; V611-F615 HydrophobicContact CG1-CD2 4.13Å; V611-F615 HydrophobicContact CG1-CE1 4.23Å; V611-F615 HydrophobicContact CG1-CE2 4.1Å; V611-F615 HydrophobicContact CG1-CG 4.26Å; V611-F615 HydrophobicContact CG1-CZ 4.17Å; V611-F615 WeakPolarHBondContact O-CB 3.42Å; V611-F615 PolarHBondContact O-N 3.39Å; V611-L634 HydrophobicContact CB-CD1 3.74Å; V611-L634 HydrophobicContact CG1-CB 4.36Å; V611-L634 HydrophobicContact CG1-CD1 3.55Å; V611-L657 HydrophobicContact CB-CD2 4.23Å; V611-L657 HydrophobicContact CG1-CD2 3.91Å; V611-L657 HydrophobicContact CG2-CD2 4.01Å; V611-P661 HydrophobicContact CG2-CB 4.33Å; V611-P661 HydrophobicContact CG2-CG 4.12Å; V611-I662 HydrophobicContact CG2-CG2 3.37Å; V611-V678 HydrophobicContact CG1-CB 4Å; V611-V678 HydrophobicContact CG1-CG1 4.39Å; V611-V678 HydrophobicContact CG1-CG2 3.81Å; V611-V678 HydrophobicContact CG2-CG1 4.28Å
612K91.9Very high84.9Confident64 Ų6469.6 Ų69.628%0.27833%0.334SS..Hα-helixtrans-60.3-37.2176.4-173.7171.4-175.3168.20111.6I608 D609 K616 L627 T629 L634I608-K612 WeakPolarHBondContact O-CB 3.36Å; I608-K612 PolarHBondContact O-N 3.02Å; D609-K612 PolarHBondContact O-N 3.15Å; K612-K616 HydrophobicContact CG-CD 4.49Å; K612-K616 WeakPolarHBondContact O-CB 3.45Å; K612-K616 VanDerWaalsContact O-CG 3.28Å; K612-K616 WeakPolarHBondContact O-CG 3.47Å; K612-K616 PolarHBondContact O-N 2.9Å; K612-L627 HydrophobicContact CG-CD2 4.3Å; K612-T629 HydrophobicContact CD-CG2 4.49Å; K612-L634 HydrophobicContact CB-CD1 4.01Å
613H91.3Very high86Confident141 Ų14166.2 Ų66.265%0.65333%0.327SS*.Hα-helixtrans-63.7-47174.4-170.376.2000111.8D609 G610 V611 K616 Y617D609-H613 PolarHBondContact O-N 3.46Å; G610-H613 WeakPolarHBondContact O-CB 3.49Å; G610-H613 PolarHBondContact O-N 3.14Å; V611-H613 VanDerWaalsContact C-N 3.27Å; V611-H613 PolarHBondContact O-N 3.39Å; H613-K616 PolarHBondContact O-N 2.87Å; H613-Y617 PolarHBondContact O-N 3.3Å; H613-Y617 VanDerWaalsContact O-N 3.08Å
614V91.9Very high86.5Confident17 Ų1765.4 Ų65.410%0.10333%0.332CS..Hα-helixtrans-62.3-48176.1177.90000110.7G610 V611 K616 Y617 F618 M653 H656 L657 P661G610-V614 PolarHBondContact O-N 3.31Å; V611-V614 PolarHBondContact O-N 3.33Å; V611-V614 VanDerWaalsContact O-N 3.16Å; V614-K616 PolarHBondContact O-N 2.79Å; V614-Y617 WeakPolarHBondContact O-CB 3.22Å; V614-Y617 PolarHBondContact O-N 3.37Å; V614-F618 HydrophobicContact CG1-CD2 3.88Å; V614-F618 HydrophobicContact CG1-CE2 4Å; V614-F618 WeakPolarHBondContact O-CD2 3.2Å; V614-F618 PolarHBondContact O-N 3.46Å; V614-F618 VanDerWaalsContact O-N 3.08Å; V614-M653 HydrophobicContact CG1-CG 4.27Å; V614-H656 HydrophobicContact CG1-CB 3.92Å; V614-L657 HydrophobicContact CB-CD2 3.8Å; V614-L657 HydrophobicContact CG1-CD2 3.76Å; V614-L657 HydrophobicContact CG1-CG 4.01Å; V614-L657 HydrophobicContact CG2-CD2 4.19Å; V614-P661 HydrophobicContact CG2-CG 4Å
615F93.8Very high87.5Confident0 Ų061.7 Ų61.70%031%0.313CS..Hα-helixtrans-60-45.6179.3-80.75.9000112.3V611 Y617 F618 T619 L627 L634 W636 M653 L657 V676 V678V611-F615 HydrophobicContact CG1-CD1 4.26Å; V611-F615 HydrophobicContact CG1-CD2 4.13Å; V611-F615 HydrophobicContact CG1-CE1 4.23Å; V611-F615 HydrophobicContact CG1-CE2 4.1Å; V611-F615 HydrophobicContact CG1-CG 4.26Å; V611-F615 HydrophobicContact CG1-CZ 4.17Å; V611-F615 WeakPolarHBondContact O-CB 3.42Å; V611-F615 PolarHBondContact O-N 3.39Å; F615-Y617 PolarHBondContact O-N 2.97Å; F615-F618 PolarHBondContact O-N 2.88Å; F615-T619 WeakPolarHBondContact O-CB 3.49Å; F615-T619 PolarHBondContact O-N 3.04Å; F615-T619 PolarHBondContact O-OG1 3.21Å; F615-L627 HydrophobicContact CB-CD1 3.87Å; F615-L627 HydrophobicContact CB-CD2 4.12Å; F615-L627 HydrophobicContact CD2-CD1 3.48Å; F615-L627 VanDerWaalsContact CD2-CD1 3.48Å; F615-L627 HydrophobicContact CE2-CD1 4.43Å; F615-L627 HydrophobicContact CG-CD1 4.16Å; F615-L634 HydrophobicContact CD2-CB 3.9Å; F615-L634 HydrophobicContact CE2-CB 3.79Å; F615-W636 HydrophobicContact CD1-CB 4.15Å; F615-W636 HydrophobicContact CD2-CB 3.84Å; F615-W636 HydrophobicContact CE1-CB 4.1Å; F615-W636 HydrophobicContact CE2-CB 3.8Å; F615-W636 HydrophobicContact CG-CB 3.99Å; F615-W636 HydrophobicContact CZ-CB 3.91Å; F615-M653 HydrophobicContact CD1-CE 3.63Å; F615-M653 HydrophobicContact CD1-CG 4.21Å; F615-M653 HydrophobicContact CD1-SD 3.54Å; F615-M653 VanDerWaalsContact CD1-SD 3.54Å; F615-M653 HydrophobicContact CE1-CE 4.01Å; F615-M653 HydrophobicContact CE1-CG 4.09Å; F615-M653 HydrophobicContact CE1-SD 3.28Å; F615-M653 WeakPolarHBondContact CE1-SD 3.37Å; F615-M653 HydrophobicContact CG-CE 4.4Å; F615-M653 HydrophobicContact CZ-SD 4.26Å; F615-L657 HydrophobicContact CD1-CD2 4.43Å; F615-L657 HydrophobicContact CE1-CD1 3.69Å; F615-L657 HydrophobicContact CE1-CD2 4.28Å; F615-L657 HydrophobicContact CE1-CG 4.4Å; F615-L657 HydrophobicContact CZ-CD1 4.38Å; F615-V676 HydrophobicContact CE1-CG1 4.36Å; F615-V676 HydrophobicContact CZ-CB 4.37Å; F615-V676 HydrophobicContact CZ-CG1 4.1Å; F615-V676 WeakPolarHBondContact CZ-O 3.46Å; F615-V678 HydrophobicContact CE1-CG2 4.4Å; F615-V678 HydrophobicContact CE2-CG2 4.38Å; F615-V678 HydrophobicContact CZ-CG2 3.76Å
616K91.8Very high88Confident107 Ų10760.2 Ų60.247%0.46530%0.303SS..Hα-helixtrans-57.8-46.8174.9-78.9-179.3175.1-1720112.2K612 H613 V614 F618 T619 E620 L627K612-K616 HydrophobicContact CG-CD 4.49Å; K612-K616 WeakPolarHBondContact O-CB 3.45Å; K612-K616 VanDerWaalsContact O-CG 3.28Å; K612-K616 WeakPolarHBondContact O-CG 3.47Å; K612-K616 PolarHBondContact O-N 2.9Å; H613-K616 PolarHBondContact O-N 2.87Å; V614-K616 PolarHBondContact O-N 2.79Å; K616-F618 VanDerWaalsContact C-N 3.27Å; K616-F618 PolarHBondContact O-N 3.12Å; K616-T619 PolarHBondContact O-N 2.66Å; K616-T619 VanDerWaalsContact O-N 3.15Å; K616-E620 WeakPolarHBondContact O-CG 3.15Å; K616-E620 PolarHBondContact O-N 3.1Å; K616-L627 HydrophobicContact CG-CD2 3.93Å
617Y91.8Very high88.4Confident109 Ų10955 Ų5543%0.42728%0.28SS..Hα-helixtrans-56.3-42.1177.6172-100.7000112.1H613 V614 F615 R621H613-Y617 PolarHBondContact O-N 3.3Å; H613-Y617 VanDerWaalsContact O-N 3.08Å; V614-Y617 WeakPolarHBondContact O-CB 3.22Å; V614-Y617 PolarHBondContact O-N 3.37Å; F615-Y617 PolarHBondContact O-N 2.97Å; Y617-R621 WeakPolarHBondContact O-CG 3.49Å; Y617-R621 PolarHBondContact OH-NH1 2.74Å
618F92.3Very high88.3Confident2 Ų256.6 Ų56.61%0.00929%0.288CS..Hα-helixtrans-77.6-29.7177.5-82.2-82.4000113.9V614 F615 K616 R621 T622 W636 Q649 D652 M653 H656V614-F618 HydrophobicContact CG1-CD2 3.88Å; V614-F618 HydrophobicContact CG1-CE2 4Å; V614-F618 WeakPolarHBondContact O-CD2 3.2Å; V614-F618 PolarHBondContact O-N 3.46Å; V614-F618 VanDerWaalsContact O-N 3.08Å; F615-F618 PolarHBondContact O-N 2.88Å; K616-F618 VanDerWaalsContact C-N 3.27Å; K616-F618 PolarHBondContact O-N 3.12Å; F618-R621 HydrophobicContact CD1-CG 4.37Å; F618-R621 WeakPolarHBondContact O-CG 3.29Å; F618-T622 WeakPolarHBondContact O-CB 3.29Å; F618-T622 PolarHBondContact O-N 3.43Å; F618-T622 VanDerWaalsContact O-N 3.12Å; F618-T622 PolarHBondContact O-OG1 3.29Å; F618-W636 HydrophobicContact CB-CZ2 4.24Å; F618-Q649 HydrophobicContact CD1-CB 4.4Å; F618-D652 HydrophobicContact CE1-CB 3.85Å; F618-D652 HydrophobicContact CZ-CB 4.08Å; F618-M653 HydrophobicContact CB-CE 3.15Å; F618-M653 HydrophobicContact CD1-CB 3.91Å; F618-M653 HydrophobicContact CD2-CB 3.7Å; F618-M653 HydrophobicContact CD2-CE 4.04Å; F618-M653 HydrophobicContact CD2-CG 3.94Å; F618-M653 HydrophobicContact CE1-CB 4.03Å; F618-M653 VanDerWaalsContact CE2-CA 3.43Å; F618-M653 HydrophobicContact CE2-CB 3.87Å; F618-M653 HydrophobicContact CE2-CG 4.37Å; F618-M653 HydrophobicContact CG-CB 3.76Å; F618-M653 HydrophobicContact CG-CE 3.68Å; F618-M653 HydrophobicContact CG-CG 4.23Å; F618-M653 VanDerWaalsContact CZ-CA 3.43Å; F618-M653 HydrophobicContact CZ-CB 4.03Å; F618-H656 HydrophobicContact CE2-CB 4.02Å; F618-H656 AromaticContact CE2-CD2 3.78Å; F618-H656 AromaticContact CE2-CG 3.96Å; F618-H656 AromaticContact CZ-CD2 3.51Å
619T90.6Very high88.1Confident36 Ų3658 Ų5822%0.22130%0.298CS..Hα-helixtrans-61.6-45.9171.1-62.40000111.4F615 K616 R621 T622 S625 W636F615-T619 WeakPolarHBondContact O-CB 3.49Å; F615-T619 PolarHBondContact O-N 3.04Å; F615-T619 PolarHBondContact O-OG1 3.21Å; K616-T619 PolarHBondContact O-N 2.66Å; K616-T619 VanDerWaalsContact O-N 3.15Å; T619-R621 VanDerWaalsContact C-N 3.29Å; T619-R621 PolarHBondContact O-N 3.48Å; T619-T622 PolarHBondContact O-N 2.97Å; T619-S625 WeakPolarHBondContact CA-OG 3.33Å; T619-S625 PolarHBondContact O-OG 3.21Å; T619-W636 PolarHBondContact OG1-NE1 2.76Å
620E87.8Confident87.7Confident164 Ų16453.2 Ų53.277%0.76627%0.274SS*.Hα-helixtrans-62.9-33.5-178.6-73.1173.7-172.600113.2K616K616-E620 WeakPolarHBondContact O-CG 3.15Å; K616-E620 PolarHBondContact O-N 3.1Å
621R89.8Confident87.1Confident102 Ų10257.1 Ų57.139%0.38529%0.285SS..Hα-helixtrans-95.2-5-178.566.1-172.6-78.3146.40.1114.8Y617 F618 T619 P623Y617-R621 WeakPolarHBondContact O-CG 3.49Å; Y617-R621 PolarHBondContact OH-NH1 2.74Å; F618-R621 HydrophobicContact CD1-CG 4.37Å; F618-R621 WeakPolarHBondContact O-CG 3.29Å; T619-R621 VanDerWaalsContact C-N 3.29Å; T619-R621 PolarHBondContact O-N 3.48Å; R621-P623 WeakPolarHBondContact O-CD 3.3Å
622T87.2Confident86.4Confident0 Ų057.3 Ų57.30%029%0.287CS..SBendtrans-117.489.5-178.2-45.60000109.9F618 T619 G624 S625 W636 A641 F645 Q649F618-T622 WeakPolarHBondContact O-CB 3.29Å; F618-T622 PolarHBondContact O-N 3.43Å; F618-T622 VanDerWaalsContact O-N 3.12Å; F618-T622 PolarHBondContact O-OG1 3.29Å; T619-T622 PolarHBondContact O-N 2.97Å; T622-G624 PolarHBondContact O-N 3.14Å; T622-S625 WeakPolarHBondContact CB-OG 3.49Å; T622-S625 VanDerWaalsContact O-CB 3.32Å; T622-S625 WeakPolarHBondContact O-CB 3.26Å; T622-S625 PolarHBondContact O-N 3.33Å; T622-S625 PolarHBondContact O-OG 3.12Å; T622-W636 HydrophobicContact CG2-CH2 4.07Å; T622-W636 HydrophobicContact CG2-CZ2 3.97Å; T622-A641 HydrophobicContact CG2-CB 3.92Å; T622-F645 HydrophobicContact CG2-CD1 4.15Å; T622-F645 HydrophobicContact CG2-CE1 4.05Å; T622-Q649 HydrophobicContact CG2-CB 4.14Å; T622-Q649 HydrophobicContact CG2-CG 4.01Å; T622-Q649 WeakPolarHBondContact OG1-CB 3.18Å; T622-Q649 WeakPolarHBondContact OG1-CG 3.45Å
623P79.7Confident86Confident99 Ų9954.5 Ų54.564%0.64328%0.275SS*.THydrogen-bonded Turntrans-53.5133.3177.6-26.135.5000111.2R621 S625 A641R621-P623 WeakPolarHBondContact O-CD 3.3Å; P623-S625 VanDerWaalsContact C-N 3.3Å; P623-A641 WeakPolarHBondContact O-CA 3.18Å; P623-A641 VanDerWaalsContact O-CB 3.26Å; P623-A641 WeakPolarHBondContact O-CB 3.42Å
624G76.2Confident85.9Confident34 Ų3447.8 Ų47.835%0.35124%0.244SC..THydrogen-bonded Turntrans86.5-8.8-176.400000114.8T622 N640T622-G624 PolarHBondContact O-N 3.14Å; G624-N640 WeakPolarHBondContact O-CB 3.44Å
625S86.8Confident85.7Confident14 Ų1447.2 Ų47.210%0.09824%0.24CC..  trans-84.4157.317075.90000112.3T619 T622 P623 W636 N637T619-S625 WeakPolarHBondContact CA-OG 3.33Å; T619-S625 PolarHBondContact O-OG 3.21Å; T622-S625 WeakPolarHBondContact CB-OG 3.49Å; T622-S625 VanDerWaalsContact O-CB 3.32Å; T622-S625 WeakPolarHBondContact O-CB 3.26Å; T622-S625 PolarHBondContact O-N 3.33Å; T622-S625 PolarHBondContact O-OG 3.12Å; P623-S625 VanDerWaalsContact C-N 3.3Å; S625-W636 VanDerWaalsContact CB-CZ2 3.49Å; S625-W636 PolarHBondContact OG-NE1 2.68Å; S625-N637 CarbonylContact C-O 3.55Å; S625-N637 WeakPolarHBondContact CA-O 3.38Å; S625-N637 VanDerWaalsContact CB-O 3.27Å; S625-N637 WeakPolarHBondContact CB-O 3.25Å
626Y86.4Confident85.6Confident35 Ų3547.2 Ų47.214%0.13724%0.24CC..EExtended strand (participates in β ladder)trans-151158.5176.661.1-86.8000110.8R530 M535 E628 N637 E639R530-Y626 PolarHBondContact NH2-OH 3.12Å; M535-Y626 HydrophobicContact CE-CE2 4.48Å; M535-Y626 WeakPolarHBondContact CE-OH 3.46Å; Y626-E628 HydrophobicContact CD2-CG 4.06Å; Y626-E628 HydrophobicContact CE2-CG 3.86Å; Y626-E628 WeakPolarHBondContact CE2-OE1 3.43Å; Y626-N637 HydrophobicContact CD1-CB 4.12Å; Y626-N637 HydrophobicContact CD2-CB 4.1Å; Y626-N637 HydrophobicContact CE1-CB 3.62Å; Y626-N637 HydrophobicContact CE2-CB 3.6Å; Y626-N637 WeakPolarHBondContact CE2-ND2 3.49Å; Y626-N637 HydrophobicContact CG-CB 4.34Å; Y626-N637 PolarHBondContact N-O 3.4Å; Y626-N637 PolarHBondContact O-N 3.28Å; Y626-E639 HydrophobicContact CE1-CG 4.13Å; Y626-E639 WeakPolarHBondContact CE1-OE1 3.44Å; Y626-E639 PolarHBondContact OH-OE1 3.44Å
627L87.2Confident85.3Confident42 Ų4242.4 Ų42.422%0.2222%0.219CC..EExtended strand (participates in β ladder)trans-110.3126.7-178.417258.6000109.7K612 F615 K616 T629K612-L627 HydrophobicContact CG-CD2 4.3Å; F615-L627 HydrophobicContact CB-CD1 3.87Å; F615-L627 HydrophobicContact CB-CD2 4.12Å; F615-L627 HydrophobicContact CD2-CD1 3.48Å; F615-L627 VanDerWaalsContact CD2-CD1 3.48Å; F615-L627 HydrophobicContact CE2-CD1 4.43Å; F615-L627 HydrophobicContact CG-CD1 4.16Å; K616-L627 HydrophobicContact CG-CD2 3.93Å; L627-T629 HydrophobicContact CD1-CG2 4.12Å; L627-T629 HydrophobicContact CD2-CG2 3.84Å; L627-T629 HydrophobicContact CG-CG2 3.69Å
628E83.2Confident85.1Confident47 Ų4737.3 Ų37.322%0.2220%0.2CC..EExtended strand (participates in β ladder)trans-102.3126.9167.1-59.7178164.400108.5M535 Y626 V635 N637M535-E628 WeakPolarHBondContact CE-OE1 3.36Å; M535-E628 WeakPolarHBondContact CG-OE1 3.31Å; Y626-E628 HydrophobicContact CD2-CG 4.06Å; Y626-E628 HydrophobicContact CE2-CG 3.86Å; Y626-E628 WeakPolarHBondContact CE2-OE1 3.43Å; E628-V635 HydrophobicContact CB-CB 4.24Å; E628-V635 PolarHBondContact N-O 2.96Å; E628-V635 PolarHBondContact O-N 3.41Å; E628-N637 PolarHBondContact OE2-ND2 3.07Å
629T83.8Confident84.5Confident55 Ų5539.6 Ų39.634%0.33721%0.21SC..EExtended strand (participates in β ladder)trans-118.9124.1-179.961.20000109.6K612 L627 L634K612-T629 HydrophobicContact CD-CG2 4.49Å; L627-T629 HydrophobicContact CD1-CG2 4.12Å; L627-T629 HydrophobicContact CD2-CG2 3.84Å; L627-T629 HydrophobicContact CG-CG2 3.69Å; T629-L634 HydrophobicContact CG2-CD2 3.67Å
630S78.2Confident83.8Confident22 Ų2243.1 Ų43.115%0.15423%0.228CC..  trans-115.3-173.4172.274.70000110.4E583 S633E583-S630 VanDerWaalsContact CD-CB 3.43Å; E583-S630 PolarHBondContact OE2-OG 3.28Å; S630-S633 PolarHBondContact N-O 2.99Å; S630-S633 WeakPolarHBondContact OG-CA 3.34Å; S630-S633 PolarHBondContact OG-N 2.95Å; S630-S633 PolarHBondContact OG-O 2.93Å; S630-S633 PolarHBondContact OG-OG 3.33Å
631E76.3Confident83.5Confident109 Ų10935.8 Ų35.851%0.50920%0.195SC..SBendtrans-72.2-32.8180-70.8176.9-151.300112.4K566 E583 F587 I608K566-E631 WeakPolarHBondContact CE-OE1 3.4Å; K566-E631 IonicContact NZ-OE1 3.86Å; K566-E631 PolarHBondContact NZ-OE1 3.46Å; K566-E631 IonicContact NZ-OE2 3.17Å; K566-E631 PolarHBondContact NZ-OE2 3.08Å; E583-E631 PolarHBondContact OE1-N 3.03Å; E583-E631 PolarHBondContact OE2-N 3.27Å; E583-E631 VanDerWaalsContact OE2-N 3.16Å; F587-E631 HydrophobicContact CE2-CB 4.12Å; F587-E631 HydrophobicContact CZ-CB 3.98Å; F587-E631 WeakPolarHBondContact CZ-OE2 3.49Å; I608-E631 WeakPolarHBondContact CD1-O 3.39Å
632A77.1Confident83.2Confident5 Ų536 Ų364%0.04120%0.204CC..SBendtrans-127.3-0.9-17500000114.9E583 M586E583-A632 PolarHBondContact OE2-N 2.93Å; M586-A632 HydrophobicContact CB-CB 4.2Å; M586-A632 HydrophobicContact CE-CB 4.22Å; M586-A632 HydrophobicContact CG-CB 3.61Å; M586-A632 HydrophobicContact SD-CB 3.6Å
633S83.3Confident82.6Confident4 Ų437.9 Ų37.93%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-140154.3176.571.20000113.2S630 V678S630-S633 PolarHBondContact N-O 2.99Å; S630-S633 WeakPolarHBondContact OG-CA 3.34Å; S630-S633 PolarHBondContact OG-N 2.95Å; S630-S633 PolarHBondContact OG-O 2.93Å; S630-S633 PolarHBondContact OG-OG 3.33Å; S633-V678 WeakPolarHBondContact CA-O 3.21Å
634L88.5Confident82.3Confident1 Ų140.3 Ų40.31%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-127.3130.3172.8-64.1174.1000107.8W607 I608 V611 K612 F615 T629 E677 V678W607-L634 HydrophobicContact CZ3-CD1 4.28Å; I608-L634 HydrophobicContact CG2-CD1 4.05Å; I608-L634 HydrophobicContact CG2-CD2 4.37Å; I608-L634 HydrophobicContact CG2-CG 4.4Å; I608-L634 WeakPolarHBondContact O-CD1 3.48Å; V611-L634 HydrophobicContact CB-CD1 3.74Å; V611-L634 HydrophobicContact CG1-CB 4.36Å; V611-L634 HydrophobicContact CG1-CD1 3.55Å; K612-L634 HydrophobicContact CB-CD1 4.01Å; F615-L634 HydrophobicContact CD2-CB 3.9Å; F615-L634 HydrophobicContact CE2-CB 3.79Å; T629-L634 HydrophobicContact CG2-CD2 3.67Å; L634-E677 CarbonylContact O-C 3.52Å; L634-E677 VanDerWaalsContact O-CA 3.31Å; L634-E677 WeakPolarHBondContact O-CA 3.4Å; L634-V678 PolarHBondContact N-O 3.12Å; L634-V678 PolarHBondContact O-N 2.92Å
635V88.7Confident82.5Confident5 Ų542.8 Ų42.83%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-124.1119.6177.7-168.80000109.5E628 V676 E677E628-V635 HydrophobicContact CB-CB 4.24Å; E628-V635 PolarHBondContact N-O 2.96Å; E628-V635 PolarHBondContact O-N 3.41Å; V635-V676 WeakPolarHBondContact CA-O 3.46Å; V635-E677 HydrophobicContact CG1-CB 4.31Å; V635-E677 HydrophobicContact CG2-CB 4.05Å; V635-E677 HydrophobicContact CG2-CG 3.81Å
636W90.9Very high82.3Confident0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-96.2114.8168.8-174.978.4000109.5F615 F618 T619 T622 S625 Y638 Q649 A650 M653 S675 V676F615-W636 HydrophobicContact CD1-CB 4.15Å; F615-W636 HydrophobicContact CD2-CB 3.84Å; F615-W636 HydrophobicContact CE1-CB 4.1Å; F615-W636 HydrophobicContact CE2-CB 3.8Å; F615-W636 HydrophobicContact CG-CB 3.99Å; F615-W636 HydrophobicContact CZ-CB 3.91Å; F618-W636 HydrophobicContact CB-CZ2 4.24Å; T619-W636 PolarHBondContact OG1-NE1 2.76Å; T622-W636 HydrophobicContact CG2-CH2 4.07Å; T622-W636 HydrophobicContact CG2-CZ2 3.97Å; S625-W636 VanDerWaalsContact CB-CZ2 3.49Å; S625-W636 PolarHBondContact OG-NE1 2.68Å; W636-Y638 AromaticContact CE3-CD1 3.47Å; W636-Y638 HydrophobicContact CE3-CD1 3.47Å; W636-Y638 VanDerWaalsContact CE3-CD1 3.47Å; W636-Y638 HydrophobicContact CE3-CE1 4.18Å; W636-Y638 HydrophobicContact CE3-CG 4.32Å; W636-Y638 AromaticContact CH2-CD1 3.95Å; W636-Y638 HydrophobicContact CH2-CD1 3.95Å; W636-Y638 HydrophobicContact CH2-CG 4.07Å; W636-Y638 AromaticContact CZ3-CD1 3.13Å; W636-Y638 HydrophobicContact CZ3-CD1 3.13Å; W636-Y638 AromaticContact CZ3-CE1 3.83Å; W636-Y638 HydrophobicContact CZ3-CE1 3.83Å; W636-Y638 AromaticContact CZ3-CG 3.71Å; W636-Y638 HydrophobicContact CZ3-CG 3.71Å; W636-Q649 HydrophobicContact CH2-CB 4.03Å; W636-A650 HydrophobicContact CZ3-CB 3.94Å; W636-M653 HydrophobicContact CB-CE 4Å; W636-M653 HydrophobicContact CB-SD 4.21Å; W636-M653 HydrophobicContact CD2-CE 3.21Å; W636-M653 HydrophobicContact CD2-SD 3.91Å; W636-M653 VanDerWaalsContact CE2-CE 3.5Å; W636-M653 HydrophobicContact CE3-CE 3.54Å; W636-M653 HydrophobicContact CE3-SD 3.7Å; W636-M653 HydrophobicContact CG-CE 3.42Å; W636-M653 VanDerWaalsContact CG-CE 3.42Å; W636-M653 HydrophobicContact CG-SD 4.15Å; W636-M653 HydrophobicContact CH2-CE 4.35Å; W636-M653 HydrophobicContact CZ2-CE 4.07Å; W636-M653 HydrophobicContact CZ3-CE 4.09Å; W636-M653 HydrophobicContact CZ3-SD 4.31Å; W636-S675 CarbonylContact O-C 3.52Å; W636-S675 WeakPolarHBondContact O-CA 3.28Å; W636-V676 HydrophobicContact CE3-CG2 4.37Å; W636-V676 PolarHBondContact N-O 3.38Å; W636-V676 PolarHBondContact O-N 2.65Å
637N86.6Confident82Confident5 Ų546.2 Ų46.23%0.02723%0.234CC..EExtended strand (participates in β ladder)trans-104.6133.6-179.2-67-72.2000109.4S625 Y626 E628 S675S625-N637 CarbonylContact C-O 3.55Å; S625-N637 WeakPolarHBondContact CA-O 3.38Å; S625-N637 VanDerWaalsContact CB-O 3.27Å; S625-N637 WeakPolarHBondContact CB-O 3.25Å; Y626-N637 HydrophobicContact CD1-CB 4.12Å; Y626-N637 HydrophobicContact CD2-CB 4.1Å; Y626-N637 HydrophobicContact CE1-CB 3.62Å; Y626-N637 HydrophobicContact CE2-CB 3.6Å; Y626-N637 WeakPolarHBondContact CE2-ND2 3.49Å; Y626-N637 HydrophobicContact CG-CB 4.34Å; Y626-N637 PolarHBondContact N-O 3.4Å; Y626-N637 PolarHBondContact O-N 3.28Å; E628-N637 PolarHBondContact OE2-ND2 3.07Å; N637-S675 WeakPolarHBondContact OD1-CB 3.41Å
638Y86.5Confident81.4Confident3 Ų345.4 Ų45.41%0.01223%0.233CC..  trans-126.123.1177.860.8-90000112.1W636 N640 A641 R647 A650 G673 Q674 S675 V676W636-Y638 AromaticContact CE3-CD1 3.47Å; W636-Y638 HydrophobicContact CE3-CD1 3.47Å; W636-Y638 VanDerWaalsContact CE3-CD1 3.47Å; W636-Y638 HydrophobicContact CE3-CE1 4.18Å; W636-Y638 HydrophobicContact CE3-CG 4.32Å; W636-Y638 AromaticContact CH2-CD1 3.95Å; W636-Y638 HydrophobicContact CH2-CD1 3.95Å; W636-Y638 HydrophobicContact CH2-CG 4.07Å; W636-Y638 AromaticContact CZ3-CD1 3.13Å; W636-Y638 HydrophobicContact CZ3-CD1 3.13Å; W636-Y638 AromaticContact CZ3-CE1 3.83Å; W636-Y638 HydrophobicContact CZ3-CE1 3.83Å; W636-Y638 AromaticContact CZ3-CG 3.71Å; W636-Y638 HydrophobicContact CZ3-CG 3.71Å; Y638-N640 PolarHBondContact O-N 3.01Å; Y638-A641 VanDerWaalsContact O-CB 3.31Å; Y638-A641 WeakPolarHBondContact O-CB 3.47Å; Y638-A641 PolarHBondContact O-N 3.07Å; Y638-R647 HydrophobicContact CE2-CG 4.26Å; Y638-A650 HydrophobicContact CD1-CB 4.36Å; Y638-A650 HydrophobicContact CE1-CB 3.68Å; Y638-G673 PolarHBondContact OH-O 3.03Å; Y638-Q674 VanDerWaalsContact CD1-C 3.49Å; Y638-Q674 VanDerWaalsContact CD1-O 3.26Å; Y638-Q674 WeakPolarHBondContact CD1-O 3.35Å; Y638-Q674 HydrophobicContact CD2-CB 4.17Å; Y638-Q674 HydrophobicContact CE2-CB 4.01Å; Y638-Q674 HydrophobicContact CE2-CG 4.27Å; Y638-Q674 VanDerWaalsContact CZ-CA 3.42Å; Y638-Q674 PolarHBondContact N-O 2.84Å; Y638-S675 VanDerWaalsContact CE1-N 3.32Å; Y638-V676 HydrophobicContact CE1-CG2 4.39Å
639E79.2Confident81.7Confident49 Ų4943.7 Ų43.723%0.22923%0.226CC..THydrogen-bonded Turntrans-60.7-25.8-177.868.2-176.4170.400114.8R530 Y626 Q674R530-E639 IonicContact NH2-OE1 2.64Å; Y626-E639 HydrophobicContact CE1-CG 4.13Å; Y626-E639 WeakPolarHBondContact CE1-OE1 3.44Å; Y626-E639 PolarHBondContact OH-OE1 3.44Å; E639-Q674 HydrophobicContact CB-CB 3.94Å; E639-Q674 PolarHBondContact O-OE1 3.21Å
640N76.7Confident81.8Confident111 Ų11141.1 Ų41.159%0.59421%0.21SC*.THydrogen-bonded Turntrans-100.22177-50.4-61.4000112.5G624 Y638G624-N640 WeakPolarHBondContact O-CB 3.44Å; Y638-N640 PolarHBondContact O-N 3.01Å
641A80.8Confident81.9Confident10 Ų1045.5 Ų45.58%0.08322%0.223CC..SBendtrans-78.6160.4171.800000109.9T622 P623 Y638 A643T622-A641 HydrophobicContact CG2-CB 3.92Å; P623-A641 WeakPolarHBondContact O-CA 3.18Å; P623-A641 VanDerWaalsContact O-CB 3.26Å; P623-A641 WeakPolarHBondContact O-CB 3.42Å; Y638-A641 VanDerWaalsContact O-CB 3.31Å; Y638-A641 WeakPolarHBondContact O-CB 3.47Å; Y638-A641 PolarHBondContact O-N 3.07Å; A641-A643 PolarHBondContact O-N 3.17Å
642D84.2Confident82.1Confident105 Ų10543.1 Ų43.156%0.56121%0.214SC*.  trans-53.7131.3166.1172.1-89.9000109.6E644 F645 G646D642-E644 VanDerWaalsContact C-N 3.33Å; D642-E644 PolarHBondContact O-N 2.96Å; D642-E644 PolarHBondContact OD1-N 2.84Å; D642-E644 VanDerWaalsContact OD1-N 3.12Å; D642-F645 HydrophobicContact CB-CB 3.96Å; D642-F645 PolarHBondContact O-N 3.46Å; D642-F645 WeakPolarHBondContact OD1-CB 3.11Å; D642-F645 PolarHBondContact OD1-N 3.29Å; D642-G646 PolarHBondContact O-N 2.92Å
643A74.4Confident82.7Confident41 Ų4142.9 Ų42.934%0.33921%0.212SC..Hα-helixtrans-65.6-34.5-166.700000113A641 R647A641-A643 PolarHBondContact O-N 3.17Å; A643-R647 WeakPolarHBondContact O-CB 3.34Å; A643-R647 VanDerWaalsContact O-CG 3.25Å; A643-R647 WeakPolarHBondContact O-CG 3.45Å; A643-R647 PolarHBondContact O-N 3.13Å; A643-R647 PolarHBondContact O-NE 3.06Å; A643-R647 PolarHBondContact O-NH1 2.63Å; A643-R647 PolarHBondContact O-NH2 3.07Å
644E73Confident82.8Confident150 Ų15043.6 Ų43.670%0.70122%0.215SC*.Hα-helixtrans-76.9-45177.9-170.4174.3-178.900110.7D642 R647 A648D642-E644 VanDerWaalsContact C-N 3.33Å; D642-E644 PolarHBondContact O-N 2.96Å; D642-E644 PolarHBondContact OD1-N 2.84Å; D642-E644 VanDerWaalsContact OD1-N 3.12Å; E644-R647 PolarHBondContact O-N 3.39Å; E644-A648 PolarHBondContact O-N 3.3Å
645F81.6Confident82.4Confident85 Ų8547 Ų4737%0.37323%0.231SC..Hα-helixtrans-63.2-47.7177.4-175.4-115000112.3T622 D642 R647 A648 Q649T622-F645 HydrophobicContact CG2-CD1 4.15Å; T622-F645 HydrophobicContact CG2-CE1 4.05Å; D642-F645 HydrophobicContact CB-CB 3.96Å; D642-F645 PolarHBondContact O-N 3.46Å; D642-F645 WeakPolarHBondContact OD1-CB 3.11Å; D642-F645 PolarHBondContact OD1-N 3.29Å; F645-R647 PolarHBondContact O-N 2.9Å; F645-A648 WeakPolarHBondContact O-CB 3.42Å; F645-A648 PolarHBondContact O-N 3.39Å; F645-A648 VanDerWaalsContact O-N 3.11Å; F645-Q649 HydrophobicContact CD1-CG 4.26Å; F645-Q649 HydrophobicContact CD2-CG 4.39Å; F645-Q649 HydrophobicContact CE1-CG 3.91Å; F645-Q649 HydrophobicContact CE2-CG 4.04Å; F645-Q649 HydrophobicContact CG-CG 4.49Å; F645-Q649 HydrophobicContact CZ-CG 3.79Å; F645-Q649 WeakPolarHBondContact O-CG 3.4Å; F645-Q649 PolarHBondContact O-N 3.34Å
646G81.1Confident82.2Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-60.4-41.6177.600000112.2D642 A648 Q649 A650D642-G646 PolarHBondContact O-N 2.92Å; G646-A648 PolarHBondContact O-N 2.86Å; G646-Q649 PolarHBondContact O-N 3.29Å; G646-A650 WeakPolarHBondContact O-CB 3.46Å; G646-A650 PolarHBondContact O-N 3.12Å
647R80.4Confident81.9Confident122 Ų12251.4 Ų51.446%0.4625%0.251SS..Hα-helixtrans-63.7-38.2172.9-79.8-171.4-63.5-97.1-0.1112.7Y638 A643 E644 F645 R651Y638-R647 HydrophobicContact CE2-CG 4.26Å; A643-R647 WeakPolarHBondContact O-CB 3.34Å; A643-R647 VanDerWaalsContact O-CG 3.25Å; A643-R647 WeakPolarHBondContact O-CG 3.45Å; A643-R647 PolarHBondContact O-N 3.13Å; A643-R647 PolarHBondContact O-NE 3.06Å; A643-R647 PolarHBondContact O-NH1 2.63Å; A643-R647 PolarHBondContact O-NH2 3.07Å; E644-R647 PolarHBondContact O-N 3.39Å; F645-R647 PolarHBondContact O-N 2.9Å; R647-R651 WeakPolarHBondContact O-CG 3.31Å; R647-R651 PolarHBondContact O-N 2.96Å
648A74.9Confident81.5Confident24 Ų2454.5 Ų54.520%0.19826%0.262CS..Hα-helixtrans-65.6-48.3175.200000111.2E644 F645 G646 A650 R651 D652E644-A648 PolarHBondContact O-N 3.3Å; F645-A648 WeakPolarHBondContact O-CB 3.42Å; F645-A648 PolarHBondContact O-N 3.39Å; F645-A648 VanDerWaalsContact O-N 3.11Å; G646-A648 PolarHBondContact O-N 2.86Å; A648-A650 VanDerWaalsContact C-N 3.32Å; A648-A650 PolarHBondContact O-N 3.37Å; A648-R651 PolarHBondContact O-N 3.14Å; A648-R651 VanDerWaalsContact O-N 3.12Å; A648-D652 PolarHBondContact O-N 3.25Å; A648-D652 VanDerWaalsContact O-N 3.08Å
649Q89.5Confident81Confident12 Ų1258.4 Ų58.46%0.05630%0.295CS..Hα-helixtrans-60.5-38.6176.7-66.2-55.5-52.600112.3F618 T622 W636 F645 G646 R651 D652 M653F618-Q649 HydrophobicContact CD1-CB 4.4Å; T622-Q649 HydrophobicContact CG2-CB 4.14Å; T622-Q649 HydrophobicContact CG2-CG 4.01Å; T622-Q649 WeakPolarHBondContact OG1-CB 3.18Å; T622-Q649 WeakPolarHBondContact OG1-CG 3.45Å; W636-Q649 HydrophobicContact CH2-CB 4.03Å; F645-Q649 HydrophobicContact CD1-CG 4.26Å; F645-Q649 HydrophobicContact CD2-CG 4.39Å; F645-Q649 HydrophobicContact CE1-CG 3.91Å; F645-Q649 HydrophobicContact CE2-CG 4.04Å; F645-Q649 HydrophobicContact CG-CG 4.49Å; F645-Q649 HydrophobicContact CZ-CG 3.79Å; F645-Q649 WeakPolarHBondContact O-CG 3.4Å; F645-Q649 PolarHBondContact O-N 3.34Å; G646-Q649 PolarHBondContact O-N 3.29Å; Q649-R651 PolarHBondContact O-N 3.35Å; Q649-D652 PolarHBondContact O-N 3.09Å; Q649-M653 VanDerWaalsContact O-CB 3.26Å; Q649-M653 WeakPolarHBondContact O-CB 3.47Å; Q649-M653 PolarHBondContact O-N 2.77Å
650A85.5Confident81.2Confident0 Ų057.6 Ų57.60%030%0.3CS..Hα-helixtrans-60.7-41174.100000112.7W636 Y638 G646 A648 L654 V676W636-A650 HydrophobicContact CZ3-CB 3.94Å; Y638-A650 HydrophobicContact CD1-CB 4.36Å; Y638-A650 HydrophobicContact CE1-CB 3.68Å; G646-A650 WeakPolarHBondContact O-CB 3.46Å; G646-A650 PolarHBondContact O-N 3.12Å; A648-A650 VanDerWaalsContact C-N 3.32Å; A648-A650 PolarHBondContact O-N 3.37Å; A650-L654 VanDerWaalsContact O-CG 3.29Å; A650-L654 WeakPolarHBondContact O-CG 3.34Å; A650-L654 PolarHBondContact O-N 2.87Å; A650-L654 VanDerWaalsContact O-N 3.08Å; A650-V676 HydrophobicContact CB-CG2 4.21Å
651R80.5Confident81.4Confident115 Ų11554.1 Ų54.143%0.43428%0.283SS..Hα-helixtrans-66.4-45.4177.3-72.2-177.9-60.1-1660.3111.6R647 A648 Q649 M653 L654 Q655R647-R651 WeakPolarHBondContact O-CG 3.31Å; R647-R651 PolarHBondContact O-N 2.96Å; A648-R651 PolarHBondContact O-N 3.14Å; A648-R651 VanDerWaalsContact O-N 3.12Å; Q649-R651 PolarHBondContact O-N 3.35Å; R651-M653 VanDerWaalsContact C-N 3.34Å; R651-L654 PolarHBondContact O-N 2.93Å; R651-Q655 PolarHBondContact O-N 2.97Å
652D81Confident81.5Confident59 Ų5954.5 Ų54.532%0.31628%0.284SS..Hα-helixtrans-63.1-43.9178-66.9-7.3000110.2F618 A648 Q649 L654 Q655 H656F618-D652 HydrophobicContact CE1-CB 3.85Å; F618-D652 HydrophobicContact CZ-CB 4.08Å; A648-D652 PolarHBondContact O-N 3.25Å; A648-D652 VanDerWaalsContact O-N 3.08Å; Q649-D652 PolarHBondContact O-N 3.09Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 3.06Å; D652-Q655 WeakPolarHBondContact O-CB 3.34Å; D652-Q655 PolarHBondContact O-N 3.11Å; D652-Q655 VanDerWaalsContact O-N 3.12Å; D652-H656 PolarHBondContact O-CD2 3.01Å; D652-H656 VanDerWaalsContact O-CD2 3.28Å; D652-H656 PolarHBondContact O-N 3.14Å; D652-H656 VanDerWaalsContact O-N 3.13Å
653M90.2Very high81.1Confident0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-53.9-47.9174.5171-171.2-8000112.6V614 F615 F618 W636 Q649 R651 Q655 H656 L657 V676V614-M653 HydrophobicContact CG1-CG 4.27Å; F615-M653 HydrophobicContact CD1-CE 3.63Å; F615-M653 HydrophobicContact CD1-CG 4.21Å; F615-M653 HydrophobicContact CD1-SD 3.54Å; F615-M653 VanDerWaalsContact CD1-SD 3.54Å; F615-M653 HydrophobicContact CE1-CE 4.01Å; F615-M653 HydrophobicContact CE1-CG 4.09Å; F615-M653 HydrophobicContact CE1-SD 3.28Å; F615-M653 WeakPolarHBondContact CE1-SD 3.37Å; F615-M653 HydrophobicContact CG-CE 4.4Å; F615-M653 HydrophobicContact CZ-SD 4.26Å; F618-M653 HydrophobicContact CB-CE 3.15Å; F618-M653 HydrophobicContact CD1-CB 3.91Å; F618-M653 HydrophobicContact CD2-CB 3.7Å; F618-M653 HydrophobicContact CD2-CE 4.04Å; F618-M653 HydrophobicContact CD2-CG 3.94Å; F618-M653 HydrophobicContact CE1-CB 4.03Å; F618-M653 VanDerWaalsContact CE2-CA 3.43Å; F618-M653 HydrophobicContact CE2-CB 3.87Å; F618-M653 HydrophobicContact CE2-CG 4.37Å; F618-M653 HydrophobicContact CG-CB 3.76Å; F618-M653 HydrophobicContact CG-CE 3.68Å; F618-M653 HydrophobicContact CG-CG 4.23Å; F618-M653 VanDerWaalsContact CZ-CA 3.43Å; F618-M653 HydrophobicContact CZ-CB 4.03Å; W636-M653 HydrophobicContact CB-CE 4Å; W636-M653 HydrophobicContact CB-SD 4.21Å; W636-M653 HydrophobicContact CD2-CE 3.21Å; W636-M653 HydrophobicContact CD2-SD 3.91Å; W636-M653 VanDerWaalsContact CE2-CE 3.5Å; W636-M653 HydrophobicContact CE3-CE 3.54Å; W636-M653 HydrophobicContact CE3-SD 3.7Å; W636-M653 HydrophobicContact CG-CE 3.42Å; W636-M653 VanDerWaalsContact CG-CE 3.42Å; W636-M653 HydrophobicContact CG-SD 4.15Å; W636-M653 HydrophobicContact CH2-CE 4.35Å; W636-M653 HydrophobicContact CZ2-CE 4.07Å; W636-M653 HydrophobicContact CZ3-CE 4.09Å; W636-M653 HydrophobicContact CZ3-SD 4.31Å; Q649-M653 VanDerWaalsContact O-CB 3.26Å; Q649-M653 WeakPolarHBondContact O-CB 3.47Å; Q649-M653 PolarHBondContact O-N 2.77Å; R651-M653 VanDerWaalsContact C-N 3.34Å; M653-Q655 PolarHBondContact O-N 2.97Å; M653-H656 WeakPolarHBondContact O-CB 3.4Å; M653-H656 PolarHBondContact O-N 3.28Å; M653-H656 VanDerWaalsContact O-N 3.07Å; M653-L657 HydrophobicContact CG-CD1 4.28Å; M653-L657 HydrophobicContact CG-CG 4.35Å; M653-L657 WeakPolarHBondContact O-CG 3.47Å; M653-L657 PolarHBondContact O-N 3.44Å; M653-V676 HydrophobicContact SD-CB 4.27Å; M653-V676 HydrophobicContact SD-CG1 4.48Å; M653-V676 HydrophobicContact SD-CG2 4.39Å
654L85.1Confident81.1Confident19 Ų1958 Ų5810%0.09930%0.301CS..Hα-helixtrans-59.4-38.1179.7-73.5168.5000111.7A650 R651 D652 L657 W658 V669 V676A650-L654 VanDerWaalsContact O-CG 3.29Å; A650-L654 WeakPolarHBondContact O-CG 3.34Å; A650-L654 PolarHBondContact O-N 2.87Å; A650-L654 VanDerWaalsContact O-N 3.08Å; R651-L654 PolarHBondContact O-N 2.93Å; D652-L654 VanDerWaalsContact C-N 3.34Å; D652-L654 PolarHBondContact O-N 3.06Å; L654-L657 HydrophobicContact CD2-CD1 4.39Å; L654-L657 PolarHBondContact O-N 2.89Å; L654-W658 WeakPolarHBondContact O-CB 3.39Å; L654-W658 PolarHBondContact O-N 3.24Å; L654-V669 HydrophobicContact CD2-CG1 3.54Å; L654-V676 HydrophobicContact CD2-CG1 3.84Å
655Q79Confident81.2Confident73 Ų7352.3 Ų52.334%0.34128%0.28SS..Hα-helixtrans-62.8-43174.3-63.6175.21400111.7C217 R651 D652 M653 W658 A659C217-Q655 PolarHBondContact SG-NE2 2.79Å; R651-Q655 PolarHBondContact O-N 2.97Å; D652-Q655 WeakPolarHBondContact O-CB 3.34Å; D652-Q655 PolarHBondContact O-N 3.11Å; D652-Q655 VanDerWaalsContact O-N 3.12Å; M653-Q655 PolarHBondContact O-N 2.97Å; Q655-W658 PolarHBondContact O-N 3.18Å; Q655-A659 WeakPolarHBondContact O-CB 3.46Å; Q655-A659 PolarHBondContact O-N 2.92Å
656H85.5Confident81.1Confident97 Ų9753 Ų5345%0.44930%0.295SS..Hα-helixtrans-66.1-38.5177.2-81.2-88.7000112.8V614 F618 D652 M653 G660V614-H656 HydrophobicContact CG1-CB 3.92Å; F618-H656 HydrophobicContact CE2-CB 4.02Å; F618-H656 AromaticContact CE2-CD2 3.78Å; F618-H656 AromaticContact CE2-CG 3.96Å; F618-H656 AromaticContact CZ-CD2 3.51Å; D652-H656 PolarHBondContact O-CD2 3.01Å; D652-H656 VanDerWaalsContact O-CD2 3.28Å; D652-H656 PolarHBondContact O-N 3.14Å; D652-H656 VanDerWaalsContact O-N 3.13Å; M653-H656 WeakPolarHBondContact O-CB 3.4Å; M653-H656 PolarHBondContact O-N 3.28Å; M653-H656 VanDerWaalsContact O-N 3.07Å; H656-G660 PolarHBondContact O-N 2.82Å; H656-G660 VanDerWaalsContact O-N 3.09Å
657L85.3Confident81.2Confident0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-60.2-52.1173.3-72.9179.9000110.5V611 V614 F615 M653 L654 A659 G660 P661 I662 V678V611-L657 HydrophobicContact CB-CD2 4.23Å; V611-L657 HydrophobicContact CG1-CD2 3.91Å; V611-L657 HydrophobicContact CG2-CD2 4.01Å; V614-L657 HydrophobicContact CB-CD2 3.8Å; V614-L657 HydrophobicContact CG1-CD2 3.76Å; V614-L657 HydrophobicContact CG1-CG 4.01Å; V614-L657 HydrophobicContact CG2-CD2 4.19Å; F615-L657 HydrophobicContact CD1-CD2 4.43Å; F615-L657 HydrophobicContact CE1-CD1 3.69Å; F615-L657 HydrophobicContact CE1-CD2 4.28Å; F615-L657 HydrophobicContact CE1-CG 4.4Å; F615-L657 HydrophobicContact CZ-CD1 4.38Å; M653-L657 HydrophobicContact CG-CD1 4.28Å; M653-L657 HydrophobicContact CG-CG 4.35Å; M653-L657 WeakPolarHBondContact O-CG 3.47Å; M653-L657 PolarHBondContact O-N 3.44Å; L654-L657 HydrophobicContact CD2-CD1 4.39Å; L654-L657 PolarHBondContact O-N 2.89Å; L657-A659 PolarHBondContact O-N 3.27Å; L657-G660 CarbonylContact O-C 3.56Å; L657-G660 PolarHBondContact O-N 2.88Å; L657-G660 VanDerWaalsContact O-N 3.15Å; L657-P661 HydrophobicContact CD2-CG 4.18Å; L657-P661 WeakPolarHBondContact O-CD 3.28Å; L657-I662 VanDerWaalsContact C-CG1 3.41Å; L657-I662 HydrophobicContact CB-CD1 3.98Å; L657-I662 HydrophobicContact CB-CG1 3.94Å; L657-I662 WeakPolarHBondContact O-CG1 3.36Å; L657-I662 PolarHBondContact O-N 3.22Å; L657-V678 HydrophobicContact CD1-CG2 4.05Å
658W78.3Confident81.1Confident70 Ų7049.3 Ų49.327%0.26529%0.285SS..Hα-helixtrans-70.1-33.3-175-71.613.3000113.6M216 A223 L654 Q655 G660 I662 S663M216-W658 HydrophobicContact CE-CE3 3.55Å; M216-W658 HydrophobicContact CE-CH2 4.14Å; M216-W658 HydrophobicContact CE-CZ3 3.24Å; M216-W658 HydrophobicContact CG-CZ3 4.49Å; M216-W658 HydrophobicContact SD-CE3 3.89Å; M216-W658 HydrophobicContact SD-CH2 3.39Å; M216-W658 WeakPolarHBondContact SD-CH2 3.23Å; M216-W658 HydrophobicContact SD-CZ2 4.39Å; M216-W658 HydrophobicContact SD-CZ3 3.13Å; M216-W658 WeakPolarHBondContact SD-CZ3 3.39Å; A223-W658 HydrophobicContact CB-CH2 3.33Å; A223-W658 HydrophobicContact CB-CZ3 3.5Å; A223-W658 VanDerWaalsContact CB-CZ3 3.5Å; A223-W658 WeakPolarHBondContact O-CH2 3.24Å; A223-W658 VanDerWaalsContact O-CZ2 3.26Å; A223-W658 WeakPolarHBondContact O-CZ2 3.3Å; L654-W658 WeakPolarHBondContact O-CB 3.39Å; L654-W658 PolarHBondContact O-N 3.24Å; Q655-W658 PolarHBondContact O-N 3.18Å; W658-G660 VanDerWaalsContact C-N 3.28Å; W658-I662 HydrophobicContact CG-CD1 4.5Å; W658-S663 VanDerWaalsContact O-CB 3.31Å; W658-S663 WeakPolarHBondContact O-CB 3.31Å
659A76Confident81.5Confident85 Ų8549.8 Ų49.870%0.70229%0.285SS*.Hα-helixtrans-76.8-17.1174.300000112.8Q655 L657Q655-A659 WeakPolarHBondContact O-CB 3.46Å; Q655-A659 PolarHBondContact O-N 2.92Å; L657-A659 PolarHBondContact O-N 3.27Å
660G81.8Confident81Confident31 Ų3149.7 Ų49.732%0.3229%0.286SS..THydrogen-bonded Turntrans-121.3-113.1-172.700000112.9H656 L657 W658 I662 S663H656-G660 PolarHBondContact O-N 2.82Å; H656-G660 VanDerWaalsContact O-N 3.09Å; L657-G660 CarbonylContact O-C 3.56Å; L657-G660 PolarHBondContact O-N 2.88Å; L657-G660 VanDerWaalsContact O-N 3.15Å; W658-G660 VanDerWaalsContact C-N 3.28Å; G660-I662 VanDerWaalsContact C-N 3.27Å; G660-I662 PolarHBondContact O-N 2.82Å; G660-S663 WeakPolarHBondContact O-CB 3.28Å; G660-S663 PolarHBondContact O-N 3.22Å; G660-S663 PolarHBondContact O-OG 2.89Å
661P81Confident80.6Confident39 Ų3953 Ų5325%0.25330%0.298SS..THydrogen-bonded Turntrans-66.5-23-160.527.2-37000114.8V611 V614 L657V611-P661 HydrophobicContact CG2-CB 4.33Å; V611-P661 HydrophobicContact CG2-CG 4.12Å; V614-P661 HydrophobicContact CG2-CG 4Å; L657-P661 HydrophobicContact CD2-CG 4.18Å; L657-P661 WeakPolarHBondContact O-CD 3.28Å
662I83.3Confident80.2Confident18 Ų1848 Ų489%0.09228%0.282CS..THydrogen-bonded Turntrans-104-0.9-177.368.1159.3000113.8V611 L657 W658 G660 N664 A665 V667 V669 V678V611-I662 HydrophobicContact CG2-CG2 3.37Å; L657-I662 VanDerWaalsContact C-CG1 3.41Å; L657-I662 HydrophobicContact CB-CD1 3.98Å; L657-I662 HydrophobicContact CB-CG1 3.94Å; L657-I662 WeakPolarHBondContact O-CG1 3.36Å; L657-I662 PolarHBondContact O-N 3.22Å; W658-I662 HydrophobicContact CG-CD1 4.5Å; G660-I662 VanDerWaalsContact C-N 3.27Å; G660-I662 PolarHBondContact O-N 2.82Å; I662-N664 PolarHBondContact O-N 3.09Å; I662-A665 PolarHBondContact O-N 3.15Å; I662-V667 HydrophobicContact CB-CG2 3.54Å; I662-V667 HydrophobicContact CD1-CG2 4.24Å; I662-V667 HydrophobicContact CG2-CG2 3.54Å; I662-V669 HydrophobicContact CD1-CG2 3.29Å; I662-V678 HydrophobicContact CG2-CG1 4.5Å
663S75.8Confident79.8Confident57 Ų5748.6 Ų48.640%0.39930%0.303SS..THydrogen-bonded Turntrans-53.1-32-17956.50000113.9W658 G660W658-S663 VanDerWaalsContact O-CB 3.31Å; W658-S663 WeakPolarHBondContact O-CB 3.31Å; G660-S663 WeakPolarHBondContact O-CB 3.28Å; G660-S663 PolarHBondContact O-N 3.22Å; G660-S663 PolarHBondContact O-OG 2.89Å
664N73.4Confident79.4Confident162 Ų16252.8 Ų52.887%0.86632%0.322SS*.THydrogen-bonded Turntrans-12712.6179.1-64.6-42.1000113.2I662I662-N664 PolarHBondContact O-N 3.09Å
665A77.1Confident79.4Confident31 Ų3152.2 Ų52.226%0.25632%0.32SS..SBendtrans-94.9143.9-177.100000111.3W607 I662 V667W607-A665 HydrophobicContact CB-CB 3.77Å; W607-A665 HydrophobicContact CG-CB 4.3Å; I662-A665 PolarHBondContact O-N 3.15Å; A665-V667 HydrophobicContact CB-CG1 4.01Å; A665-V667 HydrophobicContact CB-CG2 4.2Å; A665-V667 PolarHBondContact O-N 3.4Å
666S79.3Confident79.8Confident98 Ų9848.8 Ų48.869%0.68530%0.304SS*.  trans-78.966.5174-56.80000111.2V681S666-V681 VanDerWaalsContact C-CG2 3.45Å; S666-V681 WeakPolarHBondContact O-CG2 3.36Å; S666-V681 PolarHBondContact O-N 3.1Å; S666-V681 VanDerWaalsContact O-N 3.09Å
667V81.5Confident79.9Confident20 Ų2044.2 Ų44.212%0.12128%0.283CS..EExtended strand (participates in β ladder)trans-122.7150.8-179.3-58.80000112.3W607 I662 A665 V678 H679W607-V667 HydrophobicContact CB-CG1 4.2Å; W607-V667 VanDerWaalsContact CD1-CG1 3.5Å; W607-V667 HydrophobicContact CD2-CG1 3.31Å; W607-V667 HydrophobicContact CE3-CG1 3.91Å; W607-V667 HydrophobicContact CG-CG1 3.42Å; W607-V667 VanDerWaalsContact CG-CG1 3.42Å; W607-V667 HydrophobicContact CZ2-CG1 4Å; W607-V667 HydrophobicContact CZ3-CG1 4.46Å; I662-V667 HydrophobicContact CB-CG2 3.54Å; I662-V667 HydrophobicContact CD1-CG2 4.24Å; I662-V667 HydrophobicContact CG2-CG2 3.54Å; A665-V667 HydrophobicContact CB-CG1 4.01Å; A665-V667 HydrophobicContact CB-CG2 4.2Å; A665-V667 PolarHBondContact O-N 3.4Å; V667-V678 HydrophobicContact CB-CG1 3.92Å; V667-V678 HydrophobicContact CG1-CG1 4.36Å; V667-V678 HydrophobicContact CG2-CG1 4.04Å; V667-H679 CarbonylContact C-O 3.59Å; V667-H679 WeakPolarHBondContact CA-O 3.48Å; V667-H679 WeakPolarHBondContact CB-O 3.3Å
668D79Confident80.1Confident26 Ų2644.2 Ų44.214%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-102.5130.4169.7-82.7-42.9000109V678 H679 V681 K718D668-V678 WeakPolarHBondContact O-CA 3.23Å; D668-H679 VanDerWaalsContact CB-CE1 3.44Å; D668-H679 WeakPolarHBondContact CB-CE1 3.42Å; D668-H679 PolarHBondContact N-O 3.14Å; D668-H679 PolarHBondContact O-N 3.38Å; D668-H679 IonicContact OD2-CE1 3.87Å; D668-V681 WeakPolarHBondContact OD2-CA 3.32Å; D668-K718 HydrophobicContact CB-CD 4.44Å; D668-K718 IonicContact OD1-NZ 2.72Å; D668-K718 PolarHBondContact OD1-NZ 2.79Å; D668-K718 IonicContact OD2-NZ 3.89Å
669V84.5Confident80.3Confident33 Ų3341.1 Ų41.120%0.227%0.271CS..EExtended strand (participates in β ladder)trans-99.4127.7166.9-1720000108.3L654 I662 V676 E677 V678L654-V669 HydrophobicContact CD2-CG1 3.54Å; I662-V669 HydrophobicContact CD1-CG2 3.29Å; V669-V676 HydrophobicContact CG1-CG1 3.79Å; V669-E677 CarbonylContact C-O 3.54Å; V669-E677 WeakPolarHBondContact CA-O 3.43Å; V669-V678 HydrophobicContact CG1-CG2 4.39Å; V669-V678 HydrophobicContact CG2-CG2 4.18Å
670V78.8Confident80.4Confident10 Ų1037.1 Ų37.16%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-121.1118.4178.9-177.30000108.7E677 H679 L716 K718V670-E677 HydrophobicContact CB-CB 4.33Å; V670-E677 PolarHBondContact N-O 3.3Å; V670-E677 PolarHBondContact O-N 2.85Å; V670-H679 VanDerWaalsContact CG2-NE2 3.25Å; V670-H679 WeakPolarHBondContact CG2-NE2 3.39Å; V670-L716 HydrophobicContact CG1-CB 3.72Å; V670-L716 HydrophobicContact CG1-CD1 3.84Å; V670-L716 HydrophobicContact CG1-CG 4.39Å; V670-K718 HydrophobicContact CG2-CB 4.07Å; V670-K718 HydrophobicContact CG2-CD 3.73Å; V670-K718 HydrophobicContact CG2-CG 3.98Å
671R76.6Confident80.2Confident71 Ų7139.3 Ų39.327%0.26825%0.245SC..EExtended strand (participates in β ladder)trans-92.4119.6176.9-164.7176.8-175.8-1762109.6V676R671-V676 HydrophobicContact CG-CG2 4.5Å
672G72.7Confident79.8Confident8 Ų839.8 Ų39.88%0.08226%0.257CS..EExtended strand (participates in β ladder)trans-86.5171.8165.100000111.2Q674 S675G672-Q674 PolarHBondContact O-N 2.87Å; G672-Q674 VanDerWaalsContact O-N 3.14Å; G672-S675 PolarHBondContact N-O 2.85Å; G672-S675 PolarHBondContact O-N 2.84Å
673G71.5Confident79.5Confident73 Ų7339.1 Ų39.175%0.75325%0.254SS*.THydrogen-bonded Turntrans-55.4-35.1179.100000113.3Y638Y638-G673 PolarHBondContact OH-O 3.03Å
674Q81.6Confident79.7Confident87 Ų8737.5 Ų37.541%0.40724%0.241SC..THydrogen-bonded Turntrans-13832.2177.2-60.9-17780.800112.8Y638 E639 G672Y638-Q674 VanDerWaalsContact CD1-C 3.49Å; Y638-Q674 VanDerWaalsContact CD1-O 3.26Å; Y638-Q674 WeakPolarHBondContact CD1-O 3.35Å; Y638-Q674 HydrophobicContact CD2-CB 4.17Å; Y638-Q674 HydrophobicContact CE2-CB 4.01Å; Y638-Q674 HydrophobicContact CE2-CG 4.27Å; Y638-Q674 VanDerWaalsContact CZ-CA 3.42Å; Y638-Q674 PolarHBondContact N-O 2.84Å; E639-Q674 HydrophobicContact CB-CB 3.94Å; E639-Q674 PolarHBondContact O-OE1 3.21Å; G672-Q674 PolarHBondContact O-N 2.87Å; G672-Q674 VanDerWaalsContact O-N 3.14Å
675S85.3Confident80.3Confident8 Ų830.2 Ų30.26%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-149.9158.7179.465.50000112.4W636 N637 Y638 G672W636-S675 CarbonylContact O-C 3.52Å; W636-S675 WeakPolarHBondContact O-CA 3.28Å; N637-S675 WeakPolarHBondContact OD1-CB 3.41Å; Y638-S675 VanDerWaalsContact CE1-N 3.32Å; G672-S675 PolarHBondContact N-O 2.85Å; G672-S675 PolarHBondContact O-N 2.84Å
676V87.8Confident80.6Confident0 Ų028.9 Ų28.90%019%0.192CC..EExtended strand (participates in β ladder)trans-128.3118169.7-178.20000107.4F615 V635 W636 Y638 A650 M653 L654 V669 R671F615-V676 HydrophobicContact CE1-CG1 4.36Å; F615-V676 HydrophobicContact CZ-CB 4.37Å; F615-V676 HydrophobicContact CZ-CG1 4.1Å; F615-V676 WeakPolarHBondContact CZ-O 3.46Å; V635-V676 WeakPolarHBondContact CA-O 3.46Å; W636-V676 HydrophobicContact CE3-CG2 4.37Å; W636-V676 PolarHBondContact N-O 3.38Å; W636-V676 PolarHBondContact O-N 2.65Å; Y638-V676 HydrophobicContact CE1-CG2 4.39Å; A650-V676 HydrophobicContact CB-CG2 4.21Å; M653-V676 HydrophobicContact SD-CB 4.27Å; M653-V676 HydrophobicContact SD-CG1 4.48Å; M653-V676 HydrophobicContact SD-CG2 4.39Å; L654-V676 HydrophobicContact CD2-CG1 3.84Å; V669-V676 HydrophobicContact CG1-CG1 3.79Å; R671-V676 HydrophobicContact CG-CG2 4.5Å
677E87.8Confident80.8Confident2 Ų225.4 Ų25.41%0.00917%0.167CC..EExtended strand (participates in β ladder)trans-107138.3177.2176.3169.9-17000110.1N584 L634 V635 V669 V670 L716N584-E677 PolarHBondContact ND2-OE1 3.34Å; L634-E677 CarbonylContact O-C 3.52Å; L634-E677 VanDerWaalsContact O-CA 3.31Å; L634-E677 WeakPolarHBondContact O-CA 3.4Å; V635-E677 HydrophobicContact CG1-CB 4.31Å; V635-E677 HydrophobicContact CG2-CB 4.05Å; V635-E677 HydrophobicContact CG2-CG 3.81Å; V669-E677 CarbonylContact C-O 3.54Å; V669-E677 WeakPolarHBondContact CA-O 3.43Å; V670-E677 HydrophobicContact CB-CB 4.33Å; V670-E677 PolarHBondContact N-O 3.3Å; V670-E677 PolarHBondContact O-N 2.85Å; E677-L716 WeakPolarHBondContact OE2-CD1 3.38Å
678V88.1Confident81Confident0 Ų024.5 Ų24.50%016%0.162CC..EExtended strand (participates in β ladder)trans-121.8124.8168.8-172.60000107.9W607 V611 F615 S633 L634 L657 I662 V667 D668 V669W607-V678 HydrophobicContact CE3-CG1 3.96Å; W607-V678 HydrophobicContact CH2-CG1 4.18Å; W607-V678 HydrophobicContact CZ3-CB 4.08Å; W607-V678 HydrophobicContact CZ3-CG1 3.56Å; V611-V678 HydrophobicContact CG1-CB 4Å; V611-V678 HydrophobicContact CG1-CG1 4.39Å; V611-V678 HydrophobicContact CG1-CG2 3.81Å; V611-V678 HydrophobicContact CG2-CG1 4.28Å; F615-V678 HydrophobicContact CE1-CG2 4.4Å; F615-V678 HydrophobicContact CE2-CG2 4.38Å; F615-V678 HydrophobicContact CZ-CG2 3.76Å; S633-V678 WeakPolarHBondContact CA-O 3.21Å; L634-V678 PolarHBondContact N-O 3.12Å; L634-V678 PolarHBondContact O-N 2.92Å; L657-V678 HydrophobicContact CD1-CG2 4.05Å; I662-V678 HydrophobicContact CG2-CG1 4.5Å; V667-V678 HydrophobicContact CB-CG1 3.92Å; V667-V678 HydrophobicContact CG1-CG1 4.36Å; V667-V678 HydrophobicContact CG2-CG1 4.04Å; D668-V678 WeakPolarHBondContact O-CA 3.23Å; V669-V678 HydrophobicContact CG1-CG2 4.39Å; V669-V678 HydrophobicContact CG2-CG2 4.18Å
679H82.8Confident81.5Confident4 Ų423.2 Ų23.22%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-139.3167.2176.263.381.5000109.6V667 D668 V670 V683V667-H679 CarbonylContact C-O 3.59Å; V667-H679 WeakPolarHBondContact CA-O 3.48Å; V667-H679 WeakPolarHBondContact CB-O 3.3Å; D668-H679 VanDerWaalsContact CB-CE1 3.44Å; D668-H679 WeakPolarHBondContact CB-CE1 3.42Å; D668-H679 PolarHBondContact N-O 3.14Å; D668-H679 PolarHBondContact O-N 3.38Å; D668-H679 IonicContact OD2-CE1 3.87Å; V670-H679 VanDerWaalsContact CG2-NE2 3.25Å; V670-H679 WeakPolarHBondContact CG2-NE2 3.39Å; H679-V683 PolarHBondContact CE1-O 3Å
680A79.7Confident81.5Confident2 Ų226.3 Ų26.32%0.01717%0.167CC..EExtended strand (participates in β ladder)trans-69.1149.9178.200000112.1M603 W607 V683M603-A680 HydrophobicContact CE-CB 3.35Å; M603-A680 HydrophobicContact CG-CB 4.02Å; M603-A680 HydrophobicContact SD-CB 3.26Å; M603-A680 WeakPolarHBondContact SD-CB 3.4Å; W607-A680 HydrophobicContact CZ2-CB 4.39Å; A680-V683 HydrophobicContact CB-CG2 4.25Å; A680-V683 PolarHBondContact O-N 3.42Å
681V76.8Confident81.7Confident76 Ų7628 Ų2846%0.46117%0.173SC..THydrogen-bonded Turntrans-60.8137.1178.2171.50000110.8S666 D668S666-V681 VanDerWaalsContact C-CG2 3.45Å; S666-V681 WeakPolarHBondContact O-CG2 3.36Å; S666-V681 PolarHBondContact O-N 3.1Å; S666-V681 VanDerWaalsContact O-N 3.09Å; D668-V681 WeakPolarHBondContact OD2-CA 3.32Å
682G72.3Confident82.1Confident49 Ų4924.6 Ų24.651%0.50516%0.16SC..THydrogen-bonded Turntrans88.1-0.6176.300000115.1T684 S687G682-T684 PolarHBondContact O-N 3.43Å; G682-S687 PolarHBondContact O-OG 2.9Å
683V77Confident82.7Confident4 Ų424.4 Ų24.42%0.02416%0.157CC..  trans-92.290.1173.9-168.90000109.4N584 M586 I599 M603 H679 A680N584-V683 HydrophobicContact CB-CG1 4.22Å; M586-V683 HydrophobicContact CB-CG1 4.44Å; I599-V683 HydrophobicContact CD1-CB 4.44Å; I599-V683 HydrophobicContact CD1-CG1 4.34Å; I599-V683 HydrophobicContact CD1-CG2 3.37Å; M603-V683 HydrophobicContact CE-CG2 3.95Å; H679-V683 PolarHBondContact CE1-O 3Å; A680-V683 HydrophobicContact CB-CG2 4.25Å; A680-V683 PolarHBondContact O-N 3.42Å
684T79.8Confident83.2Confident23 Ų2322.4 Ų22.414%0.14114%0.136CC..  trans-124.6158.6176.169.50000111.9N584 G682 G686 S687 A688 D721N584-T684 CarbonylContact O-C 3.52Å; G682-T684 PolarHBondContact O-N 3.43Å; T684-G686 VanDerWaalsContact C-N 3.3Å; T684-G686 PolarHBondContact O-N 3.36Å; T684-S687 PolarHBondContact N-OG 3.48Å; T684-S687 WeakPolarHBondContact O-CB 3.41Å; T684-S687 PolarHBondContact O-N 3.4Å; T684-S687 VanDerWaalsContact O-N 3.13Å; T684-S687 PolarHBondContact O-OG 3.36Å; T684-S687 PolarHBondContact OG1-N 2.85Å; T684-A688 PolarHBondContact O-N 3.32Å; T684-D721 VanDerWaalsContact CB-OD2 3.24Å; T684-D721 WeakPolarHBondContact CB-OD2 3.32Å; T684-D721 PolarHBondContact OG1-OD2 3.41Å
685K85.6Confident83.2Confident9 Ų919.7 Ų19.74%0.03912%0.124CC..Hα-helixtrans-59.2-35.9174.1-72.9-173.5-156.8-16.70113.6L561 N584 A688 M689 F715 D719 V722L561-K685 HydrophobicContact CB-CD 4.06Å; L561-K685 HydrophobicContact CB-CG 4.41Å; L561-K685 HydrophobicContact CD1-CB 4.09Å; L561-K685 HydrophobicContact CD1-CD 4.36Å; L561-K685 HydrophobicContact CD1-CG 4.42Å; N584-K685 PolarHBondContact OD1-NZ 3.47Å; K685-A688 VanDerWaalsContact O-CB 3.3Å; K685-A688 WeakPolarHBondContact O-CB 3.47Å; K685-A688 PolarHBondContact O-N 3.41Å; K685-M689 PolarHBondContact O-N 2.83Å; K685-F715 HydrophobicContact CD-CD1 3.32Å; K685-F715 HydrophobicContact CD-CD2 4.5Å; K685-F715 HydrophobicContact CD-CE1 3.37Å; K685-F715 HydrophobicContact CD-CG 3.93Å; K685-F715 HydrophobicContact CD-CZ 4.04Å; K685-D719 HydrophobicContact CB-CB 4.16Å; K685-D719 HydrophobicContact CD-CB 3.85Å; K685-D719 WeakPolarHBondContact CE-OD2 3.46Å; K685-D719 HydrophobicContact CG-CB 3.95Å; K685-D719 WeakPolarHBondContact CG-OD1 3.25Å; K685-D719 PolarHBondContact N-OD1 2.95Å; K685-D719 IonicContact NZ-OD2 2.66Å; K685-D719 PolarHBondContact NZ-OD2 2.92Å; K685-V722 HydrophobicContact CB-CB 4.24Å; K685-V722 HydrophobicContact CB-CG1 4.43Å
686G84.3Confident82.9Confident4 Ų419.6 Ų19.64%0.04112%0.122CC..Hα-helixtrans-62.5-43.9172.200000112.8T684 A688 M689 E690 D721T684-G686 VanDerWaalsContact C-N 3.3Å; T684-G686 PolarHBondContact O-N 3.36Å; G686-A688 PolarHBondContact O-N 3.1Å; G686-M689 PolarHBondContact O-N 3.49Å; G686-E690 PolarHBondContact O-N 3.31Å; G686-E690 VanDerWaalsContact O-N 3.1Å; G686-D721 VanDerWaalsContact CA-OD2 3.27Å; G686-D721 WeakPolarHBondContact CA-OD2 3.13Å; G686-D721 PolarHBondContact N-OD1 2.86Å; G686-D721 PolarHBondContact N-OD2 3.19Å
687S83.4Confident82.2Confident25 Ų2522.2 Ų22.218%0.17514%0.138CC..Hα-helixtrans-62.7-32.3174.681.70000112.6G682 T684 R691G682-S687 PolarHBondContact O-OG 2.9Å; T684-S687 PolarHBondContact N-OG 3.48Å; T684-S687 WeakPolarHBondContact O-CB 3.41Å; T684-S687 PolarHBondContact O-N 3.4Å; T684-S687 VanDerWaalsContact O-N 3.13Å; T684-S687 PolarHBondContact O-OG 3.36Å; T684-S687 PolarHBondContact OG1-N 2.85Å; S687-R691 WeakPolarHBondContact O-CG 3.38Å; S687-R691 PolarHBondContact O-N 3.04Å; S687-R691 PolarHBondContact O-NE 2.95Å; S687-R691 PolarHBondContact OG-NH2 3.34Å; S687-R691 VanDerWaalsContact OG-NH2 3.08Å
688A86Confident81.4Confident0 Ų029.4 Ų29.40%017%0.171CC..Hα-helixtrans-66.1-43.9175.900000110.5A581 L588 T684 K685 G686 R691 I692A581-A688 HydrophobicContact CB-CB 4.3Å; L588-A688 HydrophobicContact CD2-CB 4.32Å; T684-A688 PolarHBondContact O-N 3.32Å; K685-A688 VanDerWaalsContact O-CB 3.3Å; K685-A688 WeakPolarHBondContact O-CB 3.47Å; K685-A688 PolarHBondContact O-N 3.41Å; G686-A688 PolarHBondContact O-N 3.1Å; A688-R691 PolarHBondContact O-N 3.49Å; A688-I692 WeakPolarHBondContact O-CG1 3.42Å; A688-I692 PolarHBondContact O-N 2.88Å
689M88.5Confident80.3Confident0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-63.7-41.2177.8-76.3-53.3-53.900112.8L512 I514 V559 L561 K685 G686 R691 I692 L693 V722 F726L512-M689 HydrophobicContact CD2-CE 4.17Å; I514-M689 HydrophobicContact CD1-CE 3.49Å; I514-M689 VanDerWaalsContact CD1-CE 3.49Å; I514-M689 HydrophobicContact CD1-SD 4.1Å; I514-M689 HydrophobicContact CG1-CE 3.77Å; I514-M689 HydrophobicContact CG1-SD 4.16Å; I514-M689 HydrophobicContact CG2-SD 3.95Å; V559-M689 HydrophobicContact CB-SD 4.43Å; V559-M689 HydrophobicContact CG1-CE 4.49Å; V559-M689 HydrophobicContact CG1-SD 3.76Å; V559-M689 HydrophobicContact CG2-CE 4.37Å; L561-M689 HydrophobicContact CD1-CG 3.95Å; L561-M689 HydrophobicContact CD1-SD 3.96Å; L561-M689 HydrophobicContact CD2-SD 3.9Å; L561-M689 HydrophobicContact CG-SD 4.32Å; K685-M689 PolarHBondContact O-N 2.83Å; G686-M689 PolarHBondContact O-N 3.49Å; M689-R691 VanDerWaalsContact C-N 3.26Å; M689-R691 PolarHBondContact O-N 3.21Å; M689-I692 PolarHBondContact O-N 2.9Å; M689-I692 HydrophobicContact SD-CD1 4.35Å; M689-L693 WeakPolarHBondContact O-CB 3.31Å; M689-L693 WeakPolarHBondContact O-CG 3.34Å; M689-L693 PolarHBondContact O-N 2.95Å; M689-V722 HydrophobicContact CG-CG2 3.57Å; M689-F726 HydrophobicContact CE-CE2 4.4Å; M689-F726 HydrophobicContact CE-CZ 4.29Å
690E84.3Confident79.3Confident97 Ų9738.7 Ų38.745%0.45322%0.217SC..Hα-helixtrans-56.3-44.1174.9-172.5170.9-159.300111.6G686 G694 F725G686-E690 PolarHBondContact O-N 3.31Å; G686-E690 VanDerWaalsContact O-N 3.1Å; E690-G694 PolarHBondContact O-N 3.43Å; E690-F725 HydrophobicContact CB-CE2 3.92Å; E690-F725 HydrophobicContact CB-CZ 3.99Å; E690-F725 HydrophobicContact CG-CZ 4.5Å
691R83.4Confident78.1Confident46 Ų4644.7 Ų44.717%0.17426%0.259CS..Hα-helixtrans-69.2-43178.8-71.1176.3-78.2159.70.7112.5G585 L588 R598 S687 A688 M689 L693 G694 E695G585-R691 PolarHBondContact O-NH1 3.23Å; G585-R691 PolarHBondContact O-NH2 3.08Å; L588-R691 HydrophobicContact CD1-CB 3.51Å; R598-R691 PolarHBondContact O-NH1 2.89Å; S687-R691 WeakPolarHBondContact O-CG 3.38Å; S687-R691 PolarHBondContact O-N 3.04Å; S687-R691 PolarHBondContact O-NE 2.95Å; S687-R691 PolarHBondContact OG-NH2 3.34Å; S687-R691 VanDerWaalsContact OG-NH2 3.08Å; A688-R691 PolarHBondContact O-N 3.49Å; M689-R691 VanDerWaalsContact C-N 3.26Å; M689-R691 PolarHBondContact O-N 3.21Å; R691-L693 VanDerWaalsContact C-N 3.35Å; R691-G694 PolarHBondContact O-N 3.12Å; R691-E695 PolarHBondContact O-N 3.06Å
692I86.7Confident77.3Confident0 Ų043.6 Ų43.60%025%0.249CC..Hα-helixtrans-61.7-43.2176.1-71.4162.4000110.8V559 L561 W579 A581 L588 A688 M689 G694 E695 I696V559-I692 HydrophobicContact CG1-CD1 3.71Å; V559-I692 HydrophobicContact CG1-CG2 4.46Å; V559-I692 HydrophobicContact CG2-CG2 4.2Å; L561-I692 HydrophobicContact CD2-CD1 4.13Å; W579-I692 HydrophobicContact CB-CG2 4.03Å; W579-I692 HydrophobicContact CD2-CG2 3.88Å; W579-I692 HydrophobicContact CE3-CG1 4.4Å; W579-I692 HydrophobicContact CE3-CG2 4.13Å; W579-I692 HydrophobicContact CG-CG2 3.82Å; A581-I692 HydrophobicContact CB-CD1 4.1Å; L588-I692 HydrophobicContact CD1-CG1 4.15Å; L588-I692 HydrophobicContact CD2-CD1 3.83Å; L588-I692 HydrophobicContact CD2-CG1 3.84Å; L588-I692 HydrophobicContact CG-CG1 4.47Å; A688-I692 WeakPolarHBondContact O-CG1 3.42Å; A688-I692 PolarHBondContact O-N 2.88Å; M689-I692 PolarHBondContact O-N 2.9Å; M689-I692 HydrophobicContact SD-CD1 4.35Å; I692-G694 VanDerWaalsContact C-N 3.33Å; I692-G694 PolarHBondContact O-N 3.43Å; I692-E695 WeakPolarHBondContact O-CB 3.47Å; I692-E695 PolarHBondContact O-N 3.45Å; I692-I696 HydrophobicContact CG2-CD1 3.76Å; I692-I696 HydrophobicContact CG2-CG1 4.31Å; I692-I696 WeakPolarHBondContact O-CG1 3.36Å; I692-I696 PolarHBondContact O-N 2.99Å
693L85.2Confident76.9Confident4 Ų446.1 Ų46.12%0.02127%0.265CS..Hα-helixtrans-62.6-41.1175.8-73173.7000111.9L512 M689 R691 E695 I696 V697 I706 F725 F726 V748L512-L693 HydrophobicContact CD2-CD2 4.18Å; M689-L693 WeakPolarHBondContact O-CB 3.31Å; M689-L693 WeakPolarHBondContact O-CG 3.34Å; M689-L693 PolarHBondContact O-N 2.95Å; R691-L693 VanDerWaalsContact C-N 3.35Å; L693-E695 VanDerWaalsContact C-N 3.28Å; L693-E695 PolarHBondContact O-N 3.5Å; L693-I696 HydrophobicContact CD2-CD1 4.48Å; L693-I696 PolarHBondContact O-N 3.18Å; L693-V697 VanDerWaalsContact O-CG2 3.25Å; L693-V697 WeakPolarHBondContact O-CG2 3.43Å; L693-V697 PolarHBondContact O-N 3.43Å; L693-V697 VanDerWaalsContact O-N 3.1Å; L693-I706 HydrophobicContact CD2-CD1 3.98Å; L693-F725 HydrophobicContact CD1-CD1 4.44Å; L693-F725 HydrophobicContact CD1-CE1 3.42Å; L693-F725 VanDerWaalsContact CD1-CE1 3.42Å; L693-F725 HydrophobicContact CD1-CZ 3.96Å; L693-F726 HydrophobicContact CD1-CE1 3.82Å; L693-F726 HydrophobicContact CD1-CZ 3.73Å; L693-F726 HydrophobicContact CD2-CE1 4.49Å; L693-F726 HydrophobicContact CD2-CZ 4.34Å; L693-F726 HydrophobicContact CG-CZ 4.45Å; L693-V748 HydrophobicContact CD1-CG2 4.39Å
694G81.9Confident76.8Confident31 Ų3149 Ų4932%0.3228%0.283SS..Hα-helixtrans-55.6-44.4172.500000112.2E690 R691 I692 V697 H698E690-G694 PolarHBondContact O-N 3.43Å; R691-G694 PolarHBondContact O-N 3.12Å; I692-G694 VanDerWaalsContact C-N 3.33Å; I692-G694 PolarHBondContact O-N 3.43Å; G694-V697 PolarHBondContact O-N 3.44Å; G694-H698 PolarHBondContact O-CD2 2.8Å; G694-H698 PolarHBondContact O-N 3.28Å; G694-H698 VanDerWaalsContact O-N 3.15Å
695E80Confident76.9Confident30 Ų3050.1 Ų50.114%0.1429%0.291CS..Hα-helixtrans-67.9-39.5177-75-60.5122.600114W579 R598 R691 I692 L693 V697 H698 N699W579-E695 HydrophobicContact CH2-CB 3.4Å; W579-E695 HydrophobicContact CH2-CG 4.19Å; W579-E695 HydrophobicContact CZ2-CB 4.11Å; W579-E695 HydrophobicContact CZ3-CB 3.77Å; W579-E695 HydrophobicContact CZ3-CG 4.21Å; R598-E695 IonicContact CZ-OE1 3.23Å; R598-E695 IonicContact NH1-OE1 2.73Å; R598-E695 PolarHBondContact NH1-OE1 2.68Å; R598-E695 IonicContact NH2-OE1 2.97Å; R598-E695 PolarHBondContact NH2-OE1 2.9Å; R598-E695 IonicContact NH2-OE2 2.66Å; R691-E695 PolarHBondContact O-N 3.06Å; I692-E695 WeakPolarHBondContact O-CB 3.47Å; I692-E695 PolarHBondContact O-N 3.45Å; L693-E695 VanDerWaalsContact C-N 3.28Å; L693-E695 PolarHBondContact O-N 3.5Å; E695-V697 PolarHBondContact O-N 3.35Å; E695-H698 PolarHBondContact O-N 3.03Å; E695-N699 WeakPolarHBondContact O-CB 3.38Å; E695-N699 PolarHBondContact O-N 2.81Å; E695-N699 PolarHBondContact O-ND2 2.64Å; E695-N699 PolarHBondContact OE2-ND2 3.3Å
696I79.2Confident76.9Confident5 Ų549.9 Ų49.93%0.02629%0.29CS..Hα-helixtrans-59.7-41.6176.7-71.2166.3000109.9T557 W579 I692 L693 K700 M702T557-I696 HydrophobicContact CG2-CD1 4.07Å; W579-I696 HydrophobicContact CD2-CG1 4.49Å; W579-I696 HydrophobicContact CZ2-CG1 3.97Å; I692-I696 HydrophobicContact CG2-CD1 3.76Å; I692-I696 HydrophobicContact CG2-CG1 4.31Å; I692-I696 WeakPolarHBondContact O-CG1 3.36Å; I692-I696 PolarHBondContact O-N 2.99Å; L693-I696 HydrophobicContact CD2-CD1 4.48Å; L693-I696 PolarHBondContact O-N 3.18Å; I696-K700 WeakPolarHBondContact O-CB 3.44Å; I696-K700 PolarHBondContact O-N 3.13Å; I696-M702 HydrophobicContact CG2-CG 4.42Å; I696-M702 HydrophobicContact CG2-SD 3.73Å
697V74.2Confident77.1Confident55 Ų5551 Ų5133%0.33330%0.295SS..Hα-helixtrans-67.8-35.5178.9174.10000112.1L693 G694 E695 I752L693-V697 VanDerWaalsContact O-CG2 3.25Å; L693-V697 WeakPolarHBondContact O-CG2 3.43Å; L693-V697 PolarHBondContact O-N 3.43Å; L693-V697 VanDerWaalsContact O-N 3.1Å; G694-V697 PolarHBondContact O-N 3.44Å; E695-V697 PolarHBondContact O-N 3.35Å; V697-I752 HydrophobicContact CG2-CB 4.25Å; V697-I752 HydrophobicContact CG2-CD1 3.6Å; V697-I752 HydrophobicContact CG2-CG1 3.58Å; V697-I752 HydrophobicContact CG2-CG2 3.63Å
698H70.7Confident77.5Confident153 Ų15349.8 Ų49.871%0.70829%0.287SS*.Hα-helixtrans-77.2-36.8178.5-75.8-55.7000113.3G694 E695G694-H698 PolarHBondContact O-CD2 2.8Å; G694-H698 PolarHBondContact O-N 3.28Å; G694-H698 VanDerWaalsContact O-N 3.15Å; E695-H698 PolarHBondContact O-N 3.03Å
699N65.4Low77.7Confident111 Ų11149.8 Ų49.859%0.59429%0.287SS*.Hα-helixtrans-97.7-26.9-172-69.2-41.4000114.6E695E695-N699 WeakPolarHBondContact O-CB 3.38Å; E695-N699 PolarHBondContact O-N 2.81Å; E695-N699 PolarHBondContact O-ND2 2.64Å; E695-N699 PolarHBondContact OE2-ND2 3.3Å
700K61.1Low78Confident88 Ų8849.9 Ų49.938%0.38329%0.287SS..SBendtrans-107.2119.6170.4-71.1-175.3178.7-179.90107.5I696 M702I696-K700 WeakPolarHBondContact O-CB 3.44Å; I696-K700 PolarHBondContact O-N 3.13Å; K700-M702 HydrophobicContact CB-CG 4.5Å; K700-M702 PolarHBondContact O-N 2.65Å
701S55.4Low78.4Confident129 Ų12945.3 Ų45.390%0.90227%0.266SS*.  trans-61.885.8158.7-70.70000107.9A703S701-A703 PolarHBondContact O-N 3.39Å
702M60.3Low78.8Confident52 Ų5243.1 Ų43.126%0.25626%0.258SS..  trans-61.5106.1178.8-88.3177.361.700108.2I696 K700 T704 I706 I752I696-M702 HydrophobicContact CG2-CG 4.42Å; I696-M702 HydrophobicContact CG2-SD 3.73Å; K700-M702 HydrophobicContact CB-CG 4.5Å; K700-M702 PolarHBondContact O-N 2.65Å; M702-T704 VanDerWaalsContact C-N 3.26Å; M702-T704 VanDerWaalsContact CE-O 3.26Å; M702-T704 WeakPolarHBondContact CE-O 3.22Å; M702-I706 HydrophobicContact CE-CD1 4.32Å; M702-I706 HydrophobicContact CE-CG1 3.8Å; M702-I752 HydrophobicContact CE-CG2 4.31Å; M702-I752 VanDerWaalsContact CE-O 3.27Å; M702-I752 WeakPolarHBondContact CE-O 3.19Å; M702-I752 HydrophobicContact SD-CG2 4.41Å
703A62.4Low78.8Confident102 Ų10243.1 Ų43.184%0.84326%0.258SS*.SBendtrans-71.9-25.8174.600000111.7S701S701-A703 PolarHBondContact O-N 3.39Å
704T76Confident78.8Confident65 Ų6544.4 Ų44.440%0.39927%0.267SS..SBendtrans-131.4136.7-179.2480000110.2N510 M702N510-T704 PolarHBondContact ND2-O 3.32Å; M702-T704 VanDerWaalsContact C-N 3.26Å; M702-T704 VanDerWaalsContact CE-O 3.26Å; M702-T704 WeakPolarHBondContact CE-O 3.22Å
705P81.8Confident78.8Confident46 Ų4643.2 Ų43.230%0.29925%0.252SS..  trans-66.8154.517329.3-34.4000110.7N510 D707 I752 D754N510-P705 WeakPolarHBondContact CB-O 3.43Å; P705-D707 PolarHBondContact O-N 2.91Å; P705-I752 WeakPolarHBondContact CA-O 3.46Å; P705-D754 HydrophobicContact CB-CB 3.89Å; P705-D754 HydrophobicContact CG-CB 3.68Å
706I85.4Confident78.6Confident4 Ų442.7 Ų42.72%0.02125%0.251CS..BIsolated β-bridgetrans-65.4118.8175.5-64.9164.7000108.4N510 L512 L693 M702 Y708 V709 I752 V753 D754N510-I706 WeakPolarHBondContact O-CA 3.44Å; L512-I706 HydrophobicContact CB-CD1 4.35Å; L512-I706 HydrophobicContact CB-CG2 3.83Å; L512-I706 HydrophobicContact CD2-CD1 4.17Å; L693-I706 HydrophobicContact CD2-CD1 3.98Å; M702-I706 HydrophobicContact CE-CD1 4.32Å; M702-I706 HydrophobicContact CE-CG1 3.8Å; I706-Y708 WeakPolarHBondContact CG2-O 3.46Å; I706-V709 HydrophobicContact CG2-CG2 3.74Å; I706-I752 PolarHBondContact N-O 2.52Å; I706-V753 HydrophobicContact CB-CG2 4.4Å; I706-D754 CarbonylContact O-C 3.6Å; I706-D754 PolarHBondContact O-N 3.05Å
707D87.5Confident78.2Confident28 Ų2844.8 Ų44.815%0.1527%0.274CS..  trans-113.12.6-176.266-5.8000113S508 N509 N510 P705 N759S508-D707 VanDerWaalsContact CB-OD1 3.27Å; S508-D707 WeakPolarHBondContact CB-OD1 3.48Å; N509-D707 PolarHBondContact N-OD1 2.92Å; N509-D707 VanDerWaalsContact N-OD1 3.11Å; N509-D707 PolarHBondContact N-OD2 3.24Å; N510-D707 PolarHBondContact N-OD1 3.08Å; N510-D707 PolarHBondContact O-N 2.66Å; P705-D707 PolarHBondContact O-N 2.91Å; D707-N759 VanDerWaalsContact O-CB 3.25Å; D707-N759 WeakPolarHBondContact O-CB 3.43Å; D707-N759 PolarHBondContact O-ND2 2.95Å
708Y91.4Very high78.1Confident0 Ų045.9 Ų45.90%027%0.274CS..EExtended strand (participates in β ladder)trans-149.5137.3173.5178.4-84.5000112V501 Q504 Y505 S508 N510 R511 L512 L513 I706 L710 F761V501-Y708 VanDerWaalsContact CG1-OH 3.23Å; V501-Y708 WeakPolarHBondContact CG1-OH 3.35Å; V501-Y708 PolarHBondContact O-OH 3.4Å; Q504-Y708 HydrophobicContact CB-CD2 4.15Å; Q504-Y708 HydrophobicContact CB-CE2 4.09Å; Y505-Y708 HydrophobicContact CD2-CD1 4.21Å; Y505-Y708 AromaticContact CD2-CE1 3.71Å; Y505-Y708 HydrophobicContact CD2-CE1 3.71Å; Y505-Y708 AromaticContact CD2-CZ 3.96Å; S508-Y708 WeakPolarHBondContact OG-CB 3.36Å; N510-Y708 PolarHBondContact O-N 3.42Å; R511-Y708 HydrophobicContact CB-CD1 4.06Å; R511-Y708 HydrophobicContact CG-CD1 4.42Å; L512-Y708 PolarHBondContact N-O 3.2Å; L513-Y708 HydrophobicContact CD2-CE1 3.96Å; I706-Y708 WeakPolarHBondContact CG2-O 3.46Å; Y708-L710 HydrophobicContact CE1-CB 3.58Å; Y708-F761 HydrophobicContact CD2-CE2 4.38Å; Y708-F761 AromaticContact CE2-CD2 3.85Å; Y708-F761 HydrophobicContact CE2-CD2 3.85Å; Y708-F761 AromaticContact CE2-CE2 3.66Å; Y708-F761 HydrophobicContact CE2-CE2 3.66Å
709V91.8Very high78.5Confident0 Ų038.9 Ų38.90%024%0.241CC..EExtended strand (participates in β ladder)trans-137.4124.8175.91780000109.8L512 I514 I706 F726 L755 N759 Y760 F761L512-V709 HydrophobicContact CB-CG2 4.12Å; L512-V709 HydrophobicContact CD2-CG2 4.29Å; L512-V709 VanDerWaalsContact O-CA 3.31Å; L512-V709 WeakPolarHBondContact O-CA 3.23Å; I514-V709 HydrophobicContact CD1-CG1 4.04Å; I706-V709 HydrophobicContact CG2-CG2 3.74Å; V709-F726 HydrophobicContact CG1-CD2 3.83Å; V709-F726 HydrophobicContact CG1-CE2 4.09Å; V709-F726 HydrophobicContact CG1-CG 4.19Å; V709-F726 HydrophobicContact CG2-CD1 4.06Å; V709-F726 HydrophobicContact CG2-CE1 4.24Å; V709-F726 HydrophobicContact CG2-CG 4.21Å; V709-L755 HydrophobicContact CB-CD1 4.15Å; V709-L755 HydrophobicContact CB-CD2 4.07Å; V709-L755 HydrophobicContact CG2-CD1 3.73Å; V709-L755 HydrophobicContact CG2-CD2 3.86Å; V709-L755 HydrophobicContact CG2-CG 4.48Å; V709-N759 PolarHBondContact N-O 3.27Å; V709-Y760 HydrophobicContact CB-CD2 3.76Å; V709-Y760 HydrophobicContact CB-CE2 4.17Å; V709-Y760 HydrophobicContact CG1-CD2 3.78Å; V709-Y760 HydrophobicContact CG1-CE2 3.65Å; V709-F761 PolarHBondContact O-N 2.97Å
710L93.2Very high79.3Confident2 Ų234.1 Ų34.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-119.7114.1170.6173.662.7000108.8V501 L512 L513 I514 Y708 I712 F761 V763 L785 L789V501-L710 HydrophobicContact CG1-CD1 4.35Å; V501-L710 HydrophobicContact CG1-CD2 4.19Å; L512-L710 PolarHBondContact O-N 3.04Å; L513-L710 CarbonylContact C-O 3.53Å; L513-L710 WeakPolarHBondContact CA-O 3.33Å; L513-L710 HydrophobicContact CD2-CB 3.75Å; L513-L710 HydrophobicContact CD2-CD2 4.07Å; L513-L710 HydrophobicContact CD2-CG 4.39Å; I514-L710 PolarHBondContact N-O 3.24Å; Y708-L710 HydrophobicContact CE1-CB 3.58Å; L710-I712 HydrophobicContact CD1-CD1 4.02Å; L710-I712 HydrophobicContact CD1-CG1 3.82Å; L710-I712 HydrophobicContact CD2-CD1 3.96Å; L710-I712 HydrophobicContact CD2-CG1 4.46Å; L710-I712 HydrophobicContact CG-CD1 3.93Å; L710-I712 HydrophobicContact CG-CG1 3.87Å; L710-F761 CarbonylContact C-O 3.59Å; L710-F761 WeakPolarHBondContact CA-O 3.37Å; L710-F761 HydrophobicContact CD1-CB 3.65Å; L710-V763 HydrophobicContact CD1-CG2 4.01Å; L710-L785 HydrophobicContact CD2-CD2 4.46Å; L710-L789 HydrophobicContact CD2-CD1 3.83Å
711C93.5Very high80.4Confident0 Ų031.9 Ų31.90%021%0.208CC..EExtended strand (participates in β ladder)trans-112.1112179.2-178.10000110.1I514 F761 S762 V763I514-C711 HydrophobicContact CB-CB 4.13Å; I514-C711 HydrophobicContact CD1-CB 4.36Å; I514-C711 CarbonylContact O-C 3.59Å; I514-C711 VanDerWaalsContact O-CA 3.3Å; I514-C711 WeakPolarHBondContact O-CA 3.21Å; C711-F761 PolarHBondContact N-O 3.38Å; C711-S762 CarbonylContact O-C 3.58Å; C711-S762 WeakPolarHBondContact O-CA 3.33Å; C711-V763 PolarHBondContact O-N 3.12Å
712I92.3Very high81.9Confident1 Ų125.8 Ų25.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-121128.9-178.3-49.9-179.5000109.1I514 L515 G516 T520 L710 V763 I765 V782 L785I514-I712 PolarHBondContact O-N 3.4Å; L515-I712 CarbonylContact C-O 3.58Å; L515-I712 WeakPolarHBondContact CA-O 3.33Å; L515-I712 HydrophobicContact CD2-CB 4.18Å; L515-I712 HydrophobicContact CD2-CD1 4.28Å; L515-I712 HydrophobicContact CD2-CG1 4.35Å; G516-I712 PolarHBondContact N-O 2.93Å; T520-I712 HydrophobicContact CG2-CB 4.43Å; T520-I712 HydrophobicContact CG2-CG2 3.94Å; L710-I712 HydrophobicContact CD1-CD1 4.02Å; L710-I712 HydrophobicContact CD1-CG1 3.82Å; L710-I712 HydrophobicContact CD2-CD1 3.96Å; L710-I712 HydrophobicContact CD2-CG1 4.46Å; L710-I712 HydrophobicContact CG-CD1 3.93Å; L710-I712 HydrophobicContact CG-CG1 3.87Å; I712-V763 WeakPolarHBondContact CA-O 3.49Å; I712-V763 HydrophobicContact CB-CB 4.46Å; I712-V763 HydrophobicContact CG1-CB 4.11Å; I712-V763 HydrophobicContact CG1-CG2 4.22Å; I712-V763 HydrophobicContact CG2-CB 4.32Å; I712-I765 HydrophobicContact CG2-CD1 3.97Å; I712-I765 HydrophobicContact CG2-CG1 4.1Å; I712-V782 HydrophobicContact CD1-CG1 4.38Å; I712-V782 HydrophobicContact CG2-CG1 4.36Å; I712-V782 HydrophobicContact CG2-CG2 3.86Å; I712-L785 HydrophobicContact CD1-CD2 3.76Å
713G87Confident83.2Confident0 Ų023.3 Ų23.30%015%0.153CC..EExtended strand (participates in β ladder)trans-160.7163.9-179.600000116.1T520 Y723 V763 A764 I765T520-G713 VanDerWaalsContact OG1-CA 3.31Å; T520-G713 WeakPolarHBondContact OG1-CA 3.39Å; G713-Y723 WeakPolarHBondContact CA-OH 3.39Å; G713-Y723 PolarHBondContact N-OH 2.92Å; G713-Y723 PolarHBondContact O-OH 3.44Å; G713-V763 PolarHBondContact N-O 3.38Å; G713-A764 WeakPolarHBondContact O-CA 3.35Å; G713-I765 PolarHBondContact O-N 3.09Å
714C84.7Confident84.2Confident31 Ų3120 Ų2021%0.20912%0.123CC..  trans-114.383.8159.1-1680000107.7T520 I765T520-C714 PolarHBondContact OG1-N 3.07Å; T520-C714 VanDerWaalsContact OG1-N 3.15Å; C714-I765 HydrophobicContact CB-CB 4.43Å
715F82.6Confident84.6Confident5 Ų519.7 Ų19.72%0.02212%0.115CC..  trans-100.3152.6-174.6-57.2-41.4000111.4L561 K685 D719 E720 V722 Y723 Q767L561-F715 HydrophobicContact CB-CE1 4.48Å; L561-F715 HydrophobicContact CD1-CZ 4.47Å; K685-F715 HydrophobicContact CD-CD1 3.32Å; K685-F715 HydrophobicContact CD-CD2 4.5Å; K685-F715 HydrophobicContact CD-CE1 3.37Å; K685-F715 HydrophobicContact CD-CG 3.93Å; K685-F715 HydrophobicContact CD-CZ 4.04Å; F715-D719 HydrophobicContact CB-CB 3.95Å; F715-E720 HydrophobicContact CB-CG 4.39Å; F715-V722 HydrophobicContact CD2-CG1 3.47Å; F715-V722 VanDerWaalsContact CD2-CG1 3.47Å; F715-V722 HydrophobicContact CE2-CG1 3.35Å; F715-V722 HydrophobicContact CG-CG1 4.48Å; F715-V722 HydrophobicContact CZ-CG1 4.26Å; F715-Y723 HydrophobicContact CB-CE2 4.49Å; F715-Y723 HydrophobicContact CD2-CD1 4.45Å; F715-Y723 AromaticContact CD2-CE1 3.69Å; F715-Y723 HydrophobicContact CD2-CE1 3.69Å; F715-Y723 AromaticContact CD2-CE2 3.86Å; F715-Y723 HydrophobicContact CD2-CE2 3.86Å; F715-Y723 AromaticContact CD2-CZ 3.35Å; F715-Y723 VanDerWaalsContact CD2-OH 3.29Å; F715-Y723 WeakPolarHBondContact CD2-OH 3.22Å; F715-Y723 HydrophobicContact CE2-CD1 4.49Å; F715-Y723 AromaticContact CE2-CE1 3.73Å; F715-Y723 HydrophobicContact CE2-CE1 3.73Å; F715-Y723 AromaticContact CE2-CZ 3.85Å; F715-Q767 PolarHBondContact O-NE2 2.97Å; F715-Q767 VanDerWaalsContact O-NE2 3.15Å
716L75.2Confident84.7Confident20 Ų2018.4 Ų18.411%0.10511%0.105CC..  trans-81.1159.3172.3-61.4178.7000109.1V670 E677 K718 D719 E720V670-L716 HydrophobicContact CG1-CB 3.72Å; V670-L716 HydrophobicContact CG1-CD1 3.84Å; V670-L716 HydrophobicContact CG1-CG 4.39Å; E677-L716 WeakPolarHBondContact OE2-CD1 3.38Å; L716-K718 VanDerWaalsContact C-N 3.27Å; L716-K718 PolarHBondContact O-N 3.44Å; L716-D719 CarbonylContact O-C 3.53Å; L716-D719 WeakPolarHBondContact O-CA 3.28Å; L716-D719 WeakPolarHBondContact O-CB 3.45Å; L716-D719 PolarHBondContact O-N 2.9Å; L716-E720 PolarHBondContact O-N 3.43Å
717G71Confident84.1Confident49 Ų4919.1 Ų19.151%0.50511%0.109SC..G310 helixtrans-50.8-37.3-169.800000116.1
718K71.7Confident82.6Confident77 Ų7719.6 Ų19.634%0.33511%0.113SC..G310 helixtrans-73.6-27.5176.2-73.8-158.7-176.5167.20113.9D668 V670 L716D668-K718 HydrophobicContact CB-CD 4.44Å; D668-K718 IonicContact OD1-NZ 2.72Å; D668-K718 PolarHBondContact OD1-NZ 2.79Å; D668-K718 IonicContact OD2-NZ 3.89Å; V670-K718 HydrophobicContact CG2-CB 4.07Å; V670-K718 HydrophobicContact CG2-CD 3.73Å; V670-K718 HydrophobicContact CG2-CG 3.98Å; L716-K718 VanDerWaalsContact C-N 3.27Å; L716-K718 PolarHBondContact O-N 3.44Å
719D77.9Confident80.8Confident6 Ų624.1 Ų24.13%0.03213%0.134CC..G310 helixtrans-86.9-5.6178.6-84.2-21.8000113.2K685 F715 L716 D721 V722K685-D719 HydrophobicContact CB-CB 4.16Å; K685-D719 HydrophobicContact CD-CB 3.85Å; K685-D719 WeakPolarHBondContact CE-OD2 3.46Å; K685-D719 HydrophobicContact CG-CB 3.95Å; K685-D719 WeakPolarHBondContact CG-OD1 3.25Å; K685-D719 PolarHBondContact N-OD1 2.95Å; K685-D719 IonicContact NZ-OD2 2.66Å; K685-D719 PolarHBondContact NZ-OD2 2.92Å; F715-D719 HydrophobicContact CB-CB 3.95Å; L716-D719 CarbonylContact O-C 3.53Å; L716-D719 WeakPolarHBondContact O-CA 3.28Å; L716-D719 WeakPolarHBondContact O-CB 3.45Å; L716-D719 PolarHBondContact O-N 2.9Å; D719-D721 PolarHBondContact O-N 3.36Å; D719-V722 WeakPolarHBondContact O-CG1 3.35Å
720E82.9Confident78.4Confident12 Ų1227.8 Ų27.86%0.05615%0.153CC..G310 helixtrans-71.5-4.3173.2-64.7-155.1141.300113.1F715 L716 V722 Y723 T770 K771F715-E720 HydrophobicContact CB-CG 4.39Å; L716-E720 PolarHBondContact O-N 3.43Å; E720-V722 PolarHBondContact O-N 2.98Å; E720-Y723 HydrophobicContact CB-CD2 3.84Å; E720-Y723 HydrophobicContact CB-CE2 4.27Å; E720-Y723 HydrophobicContact CG-CD2 4.02Å; E720-Y723 HydrophobicContact CG-CE2 3.95Å; E720-Y723 WeakPolarHBondContact O-CB 3.45Å; E720-Y723 PolarHBondContact O-N 2.92Å; E720-T770 WeakPolarHBondContact OE1-CA 3.22Å; E720-T770 WeakPolarHBondContact OE1-CB 3.48Å; E720-T770 PolarHBondContact OE1-OG1 2.85Å; E720-T770 WeakPolarHBondContact OE2-CA 3.35Å; E720-K771 HydrophobicContact CB-CB 4.22Å; E720-K771 HydrophobicContact CB-CD 3.98Å; E720-K771 HydrophobicContact CB-CG 4.27Å; E720-K771 PolarHBondContact OE2-N 3.41Å
721D84.5Confident75.6Confident41 Ų4132.2 Ų32.222%0.21918%0.181CC..Hα-helixtrans-57.2-27.6171.367.3-23.3000112.5T684 G686 D719 Y723 T724 F725T684-D721 VanDerWaalsContact CB-OD2 3.24Å; T684-D721 WeakPolarHBondContact CB-OD2 3.32Å; T684-D721 PolarHBondContact OG1-OD2 3.41Å; G686-D721 VanDerWaalsContact CA-OD2 3.27Å; G686-D721 WeakPolarHBondContact CA-OD2 3.13Å; G686-D721 PolarHBondContact N-OD1 2.86Å; G686-D721 PolarHBondContact N-OD2 3.19Å; D719-D721 PolarHBondContact O-N 3.36Å; D721-Y723 VanDerWaalsContact C-N 3.27Å; D721-Y723 PolarHBondContact O-N 3.46Å; D721-T724 PolarHBondContact O-N 3.47Å; D721-T724 PolarHBondContact O-OG1 3.13Å; D721-F725 PolarHBondContact O-N 3.2Å
722V85.9Confident72.7Confident0 Ų040.4 Ų40.40%022%0.216CC..Hα-helixtrans-63.4-30.4173.574.30000113.1I514 L561 K685 M689 F715 D719 E720 T724 F725 Y760I514-V722 HydrophobicContact CG2-CG2 4.35Å; L561-V722 HydrophobicContact CD1-CG2 3.89Å; K685-V722 HydrophobicContact CB-CB 4.24Å; K685-V722 HydrophobicContact CB-CG1 4.43Å; M689-V722 HydrophobicContact CG-CG2 3.57Å; F715-V722 HydrophobicContact CD2-CG1 3.47Å; F715-V722 VanDerWaalsContact CD2-CG1 3.47Å; F715-V722 HydrophobicContact CE2-CG1 3.35Å; F715-V722 HydrophobicContact CG-CG1 4.48Å; F715-V722 HydrophobicContact CZ-CG1 4.26Å; D719-V722 WeakPolarHBondContact O-CG1 3.35Å; E720-V722 PolarHBondContact O-N 2.98Å; V722-T724 VanDerWaalsContact C-N 3.29Å; V722-T724 PolarHBondContact O-N 3.16Å; V722-F725 WeakPolarHBondContact O-CB 3.31Å; V722-F725 PolarHBondContact O-N 3.23Å; V722-Y760 PolarHBondContact O-OH 2.9Å
723Y88Confident69.9Low1 Ų144.6 Ų44.60%0.00424%0.235CC..Hα-helixtrans-72.2-21.5179.8-65.3-44.7000113.7G713 F715 E720 D721 Y760 A764 A772G713-Y723 WeakPolarHBondContact CA-OH 3.39Å; G713-Y723 PolarHBondContact N-OH 2.92Å; G713-Y723 PolarHBondContact O-OH 3.44Å; F715-Y723 HydrophobicContact CB-CE2 4.49Å; F715-Y723 HydrophobicContact CD2-CD1 4.45Å; F715-Y723 AromaticContact CD2-CE1 3.69Å; F715-Y723 HydrophobicContact CD2-CE1 3.69Å; F715-Y723 AromaticContact CD2-CE2 3.86Å; F715-Y723 HydrophobicContact CD2-CE2 3.86Å; F715-Y723 AromaticContact CD2-CZ 3.35Å; F715-Y723 VanDerWaalsContact CD2-OH 3.29Å; F715-Y723 WeakPolarHBondContact CD2-OH 3.22Å; F715-Y723 HydrophobicContact CE2-CD1 4.49Å; F715-Y723 AromaticContact CE2-CE1 3.73Å; F715-Y723 HydrophobicContact CE2-CE1 3.73Å; F715-Y723 AromaticContact CE2-CZ 3.85Å; E720-Y723 HydrophobicContact CB-CD2 3.84Å; E720-Y723 HydrophobicContact CB-CE2 4.27Å; E720-Y723 HydrophobicContact CG-CD2 4.02Å; E720-Y723 HydrophobicContact CG-CE2 3.95Å; E720-Y723 WeakPolarHBondContact O-CB 3.45Å; E720-Y723 PolarHBondContact O-N 2.92Å; D721-Y723 VanDerWaalsContact C-N 3.27Å; D721-Y723 PolarHBondContact O-N 3.46Å; Y723-Y760 WeakPolarHBondContact O-CE1 3.3Å; Y723-Y760 PolarHBondContact O-OH 3.35Å; Y723-A764 HydrophobicContact CE2-CB 4.35Å; Y723-A772 HydrophobicContact CD1-CB 4.07Å; Y723-A772 HydrophobicContact CD2-CB 3.81Å; Y723-A772 HydrophobicContact CE1-CB 4.25Å; Y723-A772 HydrophobicContact CE2-CB 4Å; Y723-A772 HydrophobicContact CG-CB 3.85Å
724T84.7Confident67.3Low33 Ų3347.2 Ų47.220%0.20226%0.256CS..Hα-helixtrans-103.2-4177.260.70000112.4D721 V722 F726 E727 K771D721-T724 PolarHBondContact O-N 3.47Å; D721-T724 PolarHBondContact O-OG1 3.13Å; V722-T724 VanDerWaalsContact C-N 3.29Å; V722-T724 PolarHBondContact O-N 3.16Å; T724-F726 VanDerWaalsContact C-N 3.33Å; T724-F726 PolarHBondContact O-N 2.94Å; T724-E727 PolarHBondContact O-N 3.43Å; T724-E727 VanDerWaalsContact O-N 3.16Å; T724-K771 HydrophobicContact CG2-CB 4.06Å; T724-K771 HydrophobicContact CG2-CD 4.38Å
725F84.6Confident64.8Low57 Ų5753.5 Ų53.525%0.2528%0.28CS..THydrogen-bonded Turntrans-57.7-39.3-173-172.8-86.1000113.9E690 L693 D721 V722 V748E690-F725 HydrophobicContact CB-CE2 3.92Å; E690-F725 HydrophobicContact CB-CZ 3.99Å; E690-F725 HydrophobicContact CG-CZ 4.5Å; L693-F725 HydrophobicContact CD1-CD1 4.44Å; L693-F725 HydrophobicContact CD1-CE1 3.42Å; L693-F725 VanDerWaalsContact CD1-CE1 3.42Å; L693-F725 HydrophobicContact CD1-CZ 3.96Å; D721-F725 PolarHBondContact O-N 3.2Å; V722-F725 WeakPolarHBondContact O-CB 3.31Å; V722-F725 PolarHBondContact O-N 3.23Å; F725-V748 HydrophobicContact CE1-CG2 4.28Å; F725-V748 HydrophobicContact CZ-CG2 4.12Å
726F82Confident62.5Low19 Ų1957.9 Ų57.98%0.08331%0.311CS..THydrogen-bonded Turntrans-100.110.9-178.5-63.7-86.9000114.1L512 I514 M689 L693 V709 T724 P728 V753 L755 Y760L512-F726 HydrophobicContact CD2-CE1 4.17Å; L512-F726 HydrophobicContact CD2-CE2 4.23Å; L512-F726 HydrophobicContact CD2-CZ 3.55Å; I514-F726 HydrophobicContact CD1-CD2 4.23Å; I514-F726 HydrophobicContact CD1-CE2 3.42Å; I514-F726 VanDerWaalsContact CD1-CE2 3.42Å; I514-F726 HydrophobicContact CD1-CZ 4.15Å; M689-F726 HydrophobicContact CE-CE2 4.4Å; M689-F726 HydrophobicContact CE-CZ 4.29Å; L693-F726 HydrophobicContact CD1-CE1 3.82Å; L693-F726 HydrophobicContact CD1-CZ 3.73Å; L693-F726 HydrophobicContact CD2-CE1 4.49Å; L693-F726 HydrophobicContact CD2-CZ 4.34Å; L693-F726 HydrophobicContact CG-CZ 4.45Å; V709-F726 HydrophobicContact CG1-CD2 3.83Å; V709-F726 HydrophobicContact CG1-CE2 4.09Å; V709-F726 HydrophobicContact CG1-CG 4.19Å; V709-F726 HydrophobicContact CG2-CD1 4.06Å; V709-F726 HydrophobicContact CG2-CE1 4.24Å; V709-F726 HydrophobicContact CG2-CG 4.21Å; T724-F726 VanDerWaalsContact C-N 3.33Å; T724-F726 PolarHBondContact O-N 2.94Å; F726-P728 WeakPolarHBondContact O-CD 3.25Å; F726-V753 HydrophobicContact CD1-CG1 4.37Å; F726-V753 HydrophobicContact CD1-CG2 4.41Å; F726-V753 HydrophobicContact CE1-CG2 4.15Å; F726-L755 HydrophobicContact CB-CD2 3.92Å; F726-Y760 HydrophobicContact CB-CD2 3.95Å; F726-Y760 HydrophobicContact CB-CE1 4.39Å; F726-Y760 HydrophobicContact CB-CE2 3.71Å; F726-Y760 HydrophobicContact CB-CG 4.37Å; F726-Y760 HydrophobicContact CD2-CE2 4.13Å; F726-Y760 HydrophobicContact CG-CE2 4.31Å
727E73.8Confident60.7Low20 Ų2064.1 Ų64.19%0.09334%0.344CS..  trans-68.6126-176.7-73.5-157.3127.100112.7T724 E729 L730 Y760 R773T724-E727 PolarHBondContact O-N 3.43Å; T724-E727 VanDerWaalsContact O-N 3.16Å; E727-E729 PolarHBondContact O-N 2.93Å; E727-L730 PolarHBondContact O-N 3.24Å; E727-Y760 HydrophobicContact CG-CD1 3.99Å; E727-Y760 HydrophobicContact CG-CE1 3.61Å; E727-R773 IonicContact OE1-CZ 2.56Å; E727-R773 VanDerWaalsContact OE1-CZ 3.27Å; E727-R773 IonicContact OE1-NE 2.77Å; E727-R773 PolarHBondContact OE1-NE 3.39Å; E727-R773 IonicContact OE1-NH2 3.93Å; E727-R773 PolarHBondContact OE1-NH2 3.34Å
728P56.4Low58.9Low37 Ų3766.5 Ų66.524%0.2435%0.352CS..Hα-helixtrans-61.3-21.4-172.6-24.531.9000115.7F726 L730 T731F726-P728 WeakPolarHBondContact O-CD 3.25Å; P728-L730 VanDerWaalsContact C-N 3.35Å; P728-L730 PolarHBondContact O-N 3.5Å; P728-T731 PolarHBondContact O-N 2.93Å; P728-T731 PolarHBondContact O-OG1 2.8Å
729E52.6Low57Low96 Ų9668.1 Ų68.145%0.44937%0.374SS..Hα-helixtrans-71.6-27.1-173.9-67.8-122.1151.200113.1A484 E727A484-E729 VanDerWaalsContact CB-OE2 3.23Å; A484-E729 WeakPolarHBondContact CB-OE2 3.44Å; E727-E729 PolarHBondContact O-N 2.93Å
730L41.2Very low54.9Low76 Ų7673.8 Ų73.840%0.39841%0.414SS..Hα-helixtrans-75.7-29.9177.3-74.1162.4000112.4T481 E727 P728 K732T481-L730 HydrophobicContact CG2-CD2 3.64Å; E727-L730 PolarHBondContact O-N 3.24Å; P728-L730 VanDerWaalsContact C-N 3.35Å; P728-L730 PolarHBondContact O-N 3.5Å; L730-K732 PolarHBondContact O-N 2.98Å
731T34.9Very low52.4Low95 Ų9576.7 Ų76.758%0.58345%0.446SS*.Hα-helixtrans-72.3-21.9-178.823.70000115P728P728-T731 PolarHBondContact O-N 2.93Å; P728-T731 PolarHBondContact O-OG1 2.8Å
732K32.6Very low49.8Very low172 Ų17280.2 Ų80.275%0.74847%0.474SS*.Hα-helixtrans-89-32.6-178.4-75.2-179-179.6173.20114.1L730 A734L730-K732 PolarHBondContact O-N 2.98Å; K732-A734 PolarHBondContact O-N 2.92Å
733K34Very low47.1Very low90 Ų9088.3 Ų88.339%0.39152%0.518SS..Hα-helixtrans-73-24-179.1-82.4170.8178151.70113.9I480 S736I480-K733 PolarHBondContact O-NZ 3.01Å; K733-S736 PolarHBondContact O-OG 3.3Å
734A31.7Very low44.3Very low55 Ų5593 Ų9346%0.45555%0.551SS.*G310 helixtrans-74.9-2417800000114.1K732 S736 S738K732-A734 PolarHBondContact O-N 2.92Å; A734-S736 VanDerWaalsContact C-N 3.32Å; A734-S736 PolarHBondContact O-N 3.28Å; A734-S738 PolarHBondContact O-OG 2.87Å
735K32.4Very low42Very low163 Ų16397.7 Ų97.771%0.70958%0.582SS**G310 helixtrans-76.2-15.7179.6-77.3-177.4175.8177.40113.8
736S34.8Very low39.6Very low96 Ų96104.6 Ų104.667%0.67161%0.612SS**G310 helixtrans-95-1.8-179.561.30000114.7K733 A734K733-S736 PolarHBondContact O-OG 3.3Å; A734-S736 VanDerWaalsContact C-N 3.32Å; A734-S736 PolarHBondContact O-N 3.28Å
737L37.5Very low37.8Very low152 Ų152111.9 Ų111.980%0.79664%0.643SS**SBendtrans-126.53.9-171.8-83.5140.7000115
738S33.1Very low36.6Very low98 Ų98113.3 Ų113.369%0.68565%0.653SS**  trans-121.978.7-178.351.10000112.7A734A734-S738 PolarHBondContact O-OG 2.87Å
739S31.5Very low36Very low112 Ų112114.2 Ų114.278%0.78366%0.661SS**  trans-123.289160.664.50000109.1
740S35Very low35.9Very low125 Ų125114.2 Ų114.287%0.87467%0.671SS**SBendtrans136.6127160.4610000112.2
741G30.3Very low36.6Very low72 Ų72115.8 Ų115.874%0.74268%0.684SS**  trans96.898.1155.200000118.7
742S29.3Very low38.1Very low115 Ų115112.5 Ų112.580%0.80466%0.662SS**  trans47.8118.9143.363.80000122.4
743D28.7Very low40Very low171 Ų171105.7 Ų105.791%0.91464%0.635SS**  trans40.884.9144.5-70.5-14.1000119.2
744S29.1Very low42Very low100 Ų100106.4 Ų106.470%0.69964%0.644SS**  trans-137.7147.4149.151.20000108.8K746S744-K746 PolarHBondContact O-N 3.02Å
745P35.7Very low44.2Very low131 Ų131105 Ų10585%0.85163%0.628SS**PPolyproline II helixtrans-63.2126.6-169.623.4-30.3000110.9K747P745-K747 PolarHBondContact O-N 2.83Å
746K35.8Very low46.2Very low201 Ų201103.4 Ų103.487%0.87462%0.621SS**PPolyproline II helixtrans-66.9116.3-173.2-68.2173.9178.6172.80110.9S744S744-K746 PolarHBondContact O-N 3.02Å
747K42.7Very low47.9Very low173 Ų173100.6 Ų100.675%0.75261%0.608SS**PPolyproline II helixtrans-47.2139.1164.1-83.2-178.3172.6-177.10111P745 S749P745-K747 PolarHBondContact O-N 2.83Å; K747-S749 PolarHBondContact O-N 3.16Å
748V49.5Very low49.8Very low50 Ų5098.6 Ų98.630%0.30359%0.594SS.*SBendtrans-18.3106.6-176.2-174.50000113L693 F725 I752 V753L693-V748 HydrophobicContact CD1-CG2 4.39Å; F725-V748 HydrophobicContact CE1-CG2 4.28Å; F725-V748 HydrophobicContact CZ-CG2 4.12Å; V748-I752 HydrophobicContact CG1-CB 4.09Å; V748-I752 HydrophobicContact CG1-CD1 4.05Å; V748-I752 HydrophobicContact CG1-CG2 4.46Å; V748-V753 HydrophobicContact CG1-CG2 4.07Å
749S43.1Very low52.3Low56 Ų5694.6 Ų94.639%0.39257%0.565SS.*  trans-54138.7177.5-174.80000110.9K747 T751 I752K747-S749 PolarHBondContact O-N 3.16Å; S749-T751 PolarHBondContact O-N 2.92Å; S749-T751 PolarHBondContact OG-N 2.9Å; S749-T751 PolarHBondContact OG-OG1 3.06Å; S749-I752 PolarHBondContact O-N 3.37Å
750S50.4Low55Low95 Ų9589.3 Ų89.366%0.66453%0.528SS*.THydrogen-bonded Turntrans-59.5-1.8172.854.90000114.1
751T56.6Low57.7Low110 Ų11083.7 Ų83.768%0.67549%0.488SS*.THydrogen-bonded Turntrans-80.4-17.9171.2-9.40000113.4S749S749-T751 PolarHBondContact O-N 2.92Å; S749-T751 PolarHBondContact OG-N 2.9Å; S749-T751 PolarHBondContact OG-OG1 3.06Å
752I65.8Low60.5Low25 Ų2580.2 Ų80.213%0.12845%0.453CS..THydrogen-bonded Turntrans-97.9-38.1-170.1-55163.6000111.1V697 M702 P705 I706 V748 S749V697-I752 HydrophobicContact CG2-CB 4.25Å; V697-I752 HydrophobicContact CG2-CD1 3.6Å; V697-I752 HydrophobicContact CG2-CG1 3.58Å; V697-I752 HydrophobicContact CG2-CG2 3.63Å; M702-I752 HydrophobicContact CE-CG2 4.31Å; M702-I752 VanDerWaalsContact CE-O 3.27Å; M702-I752 WeakPolarHBondContact CE-O 3.19Å; M702-I752 HydrophobicContact SD-CG2 4.41Å; P705-I752 WeakPolarHBondContact CA-O 3.46Å; I706-I752 PolarHBondContact N-O 2.52Å; V748-I752 HydrophobicContact CG1-CB 4.09Å; V748-I752 HydrophobicContact CG1-CD1 4.05Å; V748-I752 HydrophobicContact CG1-CG2 4.46Å; S749-I752 PolarHBondContact O-N 3.37Å
753V72.3Confident63.4Low30 Ų3074.8 Ų74.818%0.18241%0.414CS..BIsolated β-bridgetrans-129.9123-173.9-179.30000108.9I706 F726 V748 L755I706-V753 HydrophobicContact CB-CG2 4.4Å; F726-V753 HydrophobicContact CD1-CG1 4.37Å; F726-V753 HydrophobicContact CD1-CG2 4.41Å; F726-V753 HydrophobicContact CE1-CG2 4.15Å; V748-V753 HydrophobicContact CG1-CG2 4.07Å; V753-L755 HydrophobicContact CG1-CB 3.6Å
754D76.6Confident66.1Low105 Ų10566.7 Ų66.756%0.56137%0.371SS*.  trans-118.662.5172.6-172.119000109P705 I706P705-D754 HydrophobicContact CB-CB 3.89Å; P705-D754 HydrophobicContact CG-CB 3.68Å; I706-D754 CarbonylContact O-C 3.6Å; I706-D754 PolarHBondContact O-N 3.05Å
755L77.2Confident68.6Low26 Ų2662.3 Ų62.314%0.13634%0.34CS..  trans-92.1116.3-172.9-154.272.5000110.5V709 F726 V753 N759 Y760V709-L755 HydrophobicContact CB-CD1 4.15Å; V709-L755 HydrophobicContact CB-CD2 4.07Å; V709-L755 HydrophobicContact CG2-CD1 3.73Å; V709-L755 HydrophobicContact CG2-CD2 3.86Å; V709-L755 HydrophobicContact CG2-CG 4.48Å; F726-L755 HydrophobicContact CB-CD2 3.92Å; V753-L755 HydrophobicContact CG1-CB 3.6Å; L755-N759 HydrophobicContact CD1-CB 4.12Å; L755-N759 HydrophobicContact CG-CB 4.49Å; L755-Y760 HydrophobicContact CD2-CD2 3.98Å; L755-Y760 HydrophobicContact CD2-CG 3.95Å
756K74.9Confident70.1Confident128 Ų12858.8 Ų58.856%0.55733%0.327SS*.  trans-72.9149.4164.2-64.6-178.6-178.7175.50109.2E758 N759K756-E758 HydrophobicContact CB-CG 3.89Å; K756-E758 WeakPolarHBondContact CD-OE1 3.47Å; K756-E758 PolarHBondContact O-N 2.91Å; K756-E758 VanDerWaalsContact O-N 3.1Å; K756-N759 PolarHBondContact O-N 3.29Å
757G70.9Confident71.5Confident38 Ų3852 Ų5239%0.39230%0.299SS..G310 helixtrans-57.1-29.2-178.900000114.3N759 R773G757-N759 VanDerWaalsContact C-N 3.31Å; G757-R773 PolarHBondContact O-NH1 3.44Å
758E78.6Confident72.2Confident110 Ų11048.6 Ų48.651%0.51429%0.292SS..G310 helixtrans-75.1-11.5174.959.9-177.8169.300114.6Q504 K756 F761Q504-E758 PolarHBondContact NE2-OE2 3.14Å; K756-E758 HydrophobicContact CB-CG 3.89Å; K756-E758 WeakPolarHBondContact CD-OE1 3.47Å; K756-E758 PolarHBondContact O-N 2.91Å; K756-E758 VanDerWaalsContact O-N 3.1Å; E758-F761 WeakPolarHBondContact O-CE2 3.18Å; E758-F761 WeakPolarHBondContact O-CZ 3.3Å
759N84.7Confident73Confident14 Ų1454.1 Ų54.18%0.07532%0.315CS..G310 helixtrans-104.510179.5-67.6-7000112.4Q504 D707 V709 L755 K756 G757Q504-N759 VanDerWaalsContact CD-OD1 3.29Å; Q504-N759 WeakPolarHBondContact CG-OD1 3.44Å; D707-N759 VanDerWaalsContact O-CB 3.25Å; D707-N759 WeakPolarHBondContact O-CB 3.43Å; D707-N759 PolarHBondContact O-ND2 2.95Å; V709-N759 PolarHBondContact N-O 3.27Å; L755-N759 HydrophobicContact CD1-CB 4.12Å; L755-N759 HydrophobicContact CG-CB 4.49Å; K756-N759 PolarHBondContact O-N 3.29Å; G757-N759 VanDerWaalsContact C-N 3.31Å
760Y89Confident74.4Confident1 Ų152.9 Ų52.90%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-113117.8174.9-174.4-131.5000111.9V709 V722 Y723 F726 E727 L755 R773V709-Y760 HydrophobicContact CB-CD2 3.76Å; V709-Y760 HydrophobicContact CB-CE2 4.17Å; V709-Y760 HydrophobicContact CG1-CD2 3.78Å; V709-Y760 HydrophobicContact CG1-CE2 3.65Å; V722-Y760 PolarHBondContact O-OH 2.9Å; Y723-Y760 WeakPolarHBondContact O-CE1 3.3Å; Y723-Y760 PolarHBondContact O-OH 3.35Å; F726-Y760 HydrophobicContact CB-CD2 3.95Å; F726-Y760 HydrophobicContact CB-CE1 4.39Å; F726-Y760 HydrophobicContact CB-CE2 3.71Å; F726-Y760 HydrophobicContact CB-CG 4.37Å; F726-Y760 HydrophobicContact CD2-CE2 4.13Å; F726-Y760 HydrophobicContact CG-CE2 4.31Å; E727-Y760 HydrophobicContact CG-CD1 3.99Å; E727-Y760 HydrophobicContact CG-CE1 3.61Å; L755-Y760 HydrophobicContact CD2-CD2 3.98Å; L755-Y760 HydrophobicContact CD2-CG 3.95Å; Y760-R773 PolarHBondContact O-NH1 2.86Å
761F90.4Very high75.8Confident6 Ų653.6 Ų53.63%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-122.7109.4178.5-57-84000109.5V501 Q504 Y708 V709 L710 C711 E758 Y774V501-F761 HydrophobicContact CG2-CD1 3.56Å; V501-F761 HydrophobicContact CG2-CD2 4.36Å; V501-F761 HydrophobicContact CG2-CE1 3.69Å; V501-F761 HydrophobicContact CG2-CE2 4.48Å; V501-F761 HydrophobicContact CG2-CG 3.91Å; V501-F761 HydrophobicContact CG2-CZ 4.16Å; Q504-F761 HydrophobicContact CB-CE2 4.36Å; Q504-F761 HydrophobicContact CG-CZ 4.45Å; Y708-F761 HydrophobicContact CD2-CE2 4.38Å; Y708-F761 AromaticContact CE2-CD2 3.85Å; Y708-F761 HydrophobicContact CE2-CD2 3.85Å; Y708-F761 AromaticContact CE2-CE2 3.66Å; Y708-F761 HydrophobicContact CE2-CE2 3.66Å; V709-F761 PolarHBondContact O-N 2.97Å; L710-F761 CarbonylContact C-O 3.59Å; L710-F761 WeakPolarHBondContact CA-O 3.37Å; L710-F761 HydrophobicContact CD1-CB 3.65Å; C711-F761 PolarHBondContact N-O 3.38Å; E758-F761 WeakPolarHBondContact O-CE2 3.18Å; E758-F761 WeakPolarHBondContact O-CZ 3.3Å; F761-Y774 HydrophobicContact CD1-CD2 4.33Å; F761-Y774 AromaticContact CD1-CE2 3.72Å; F761-Y774 HydrophobicContact CD1-CE2 3.72Å; F761-Y774 HydrophobicContact CE1-CE2 4.49Å
762S90.5Very high77Confident0 Ų048.7 Ų48.70%027%0.267CS..EExtended strand (participates in β ladder)trans-102.3127.1168.254.70000109.6C711 R773 Y774C711-S762 CarbonylContact O-C 3.58Å; C711-S762 WeakPolarHBondContact O-CA 3.33Å; S762-R773 PolarHBondContact O-N 3.12Å; S762-R773 PolarHBondContact OG-N 3.01Å; S762-Y774 PolarHBondContact O-N 3.06Å
763V89Confident77.8Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-131.8118.9-170-167.90000110L496 L710 C711 I712 G713 Y774 L776L496-V763 HydrophobicContact CD1-CG2 3.62Å; L496-V763 HydrophobicContact CD2-CG2 4.33Å; L710-V763 HydrophobicContact CD1-CG2 4.01Å; C711-V763 PolarHBondContact O-N 3.12Å; I712-V763 WeakPolarHBondContact CA-O 3.49Å; I712-V763 HydrophobicContact CB-CB 4.46Å; I712-V763 HydrophobicContact CG1-CB 4.11Å; I712-V763 HydrophobicContact CG1-CG2 4.22Å; I712-V763 HydrophobicContact CG2-CB 4.32Å; G713-V763 PolarHBondContact N-O 3.38Å; V763-Y774 WeakPolarHBondContact CA-O 3.25Å; V763-L776 HydrophobicContact CG1-CB 4.24Å; V763-L776 HydrophobicContact CG1-CD1 3.87Å; V763-L776 HydrophobicContact CG1-CG 3.69Å
764A85.7Confident78.5Confident1 Ų151.5 Ų51.51%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-93.614917100000111.4G713 Y723 T770 A772 Y774 F775 L776G713-A764 WeakPolarHBondContact O-CA 3.35Å; Y723-A764 HydrophobicContact CE2-CB 4.35Å; A764-T770 HydrophobicContact CB-CG2 3.55Å; A764-T770 WeakPolarHBondContact CB-OG1 3.46Å; A764-A772 HydrophobicContact CB-CB 3.77Å; A764-Y774 PolarHBondContact N-O 3.5Å; A764-F775 CarbonylContact O-C 3.39Å; A764-F775 VanDerWaalsContact O-CA 3.24Å; A764-F775 WeakPolarHBondContact O-CA 3.19Å; A764-L776 PolarHBondContact O-N 3.1Å
765I81Confident78.8Confident8 Ų848.8 Ų48.84%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-106.6125.1176.9-54.9176.3000110.5T520 I712 G713 C714 Q767 L776 V782T520-I765 VanDerWaalsContact CA-CD1 3.46Å; T520-I765 HydrophobicContact CG2-CD1 3.68Å; T520-I765 WeakPolarHBondContact OG1-CD1 3.43Å; I712-I765 HydrophobicContact CG2-CD1 3.97Å; I712-I765 HydrophobicContact CG2-CG1 4.1Å; G713-I765 PolarHBondContact O-N 3.09Å; C714-I765 HydrophobicContact CB-CB 4.43Å; I765-Q767 PolarHBondContact O-N 2.82Å; I765-L776 WeakPolarHBondContact CA-O 3.43Å; I765-V782 HydrophobicContact CD1-CG2 3.45Å; I765-V782 VanDerWaalsContact CD1-CG2 3.45Å; I765-V782 HydrophobicContact CG1-CG2 4.14Å
766G68.5Low79.1Confident57 Ų5748.2 Ų48.259%0.58825%0.253SS*.SBendtrans66.314.1170.400000115.4L776G766-L776 PolarHBondContact N-O 3.49Å
767Q64.8Low79.2Confident60 Ų6047.8 Ų47.828%0.2826%0.257SS..  trans-123.6122.9178.1-63.7-172.621.100110.6F715 I765F715-Q767 PolarHBondContact O-NE2 2.97Å; F715-Q767 VanDerWaalsContact O-NE2 3.15Å; I765-Q767 PolarHBondContact O-N 2.82Å
768T57.6Low79.6Confident100 Ų10047.8 Ų47.861%0.61325%0.25SS*.SBendtrans-85.9-14177.155.40000113.2T493T493-T768 PolarHBondContact OG1-O 3.07Å; T493-T768 VanDerWaalsContact OG1-O 3.06Å
769H65.8Low79.7Confident167 Ų16742.9 Ų42.977%0.77323%0.228SC*.SBendtrans-120.497.2176.5-62.5-65.8000108.7
770T71.9Confident79.7Confident29 Ų2945.3 Ų45.318%0.17824%0.241CC..  trans-147.3159.3-174.1178.20000109.8T493 E720 A764 A772T493-T770 HydrophobicContact CG2-CG2 3.92Å; E720-T770 WeakPolarHBondContact OE1-CA 3.22Å; E720-T770 WeakPolarHBondContact OE1-CB 3.48Å; E720-T770 PolarHBondContact OE1-OG1 2.85Å; E720-T770 WeakPolarHBondContact OE2-CA 3.35Å; A764-T770 HydrophobicContact CB-CG2 3.55Å; A764-T770 WeakPolarHBondContact CB-OG1 3.46Å; T770-A772 VanDerWaalsContact C-N 3.26Å; T770-A772 HydrophobicContact CG2-CB 3.97Å; T770-A772 PolarHBondContact OG1-N 3.17Å; T770-A772 VanDerWaalsContact OG1-N 3.15Å
771K80Confident79.5Confident111 Ų11146.7 Ų46.748%0.48325%0.249SC..SBendtrans-77.2-5.7167.2-63.2177.8-176.31680114E720 T724E720-K771 HydrophobicContact CB-CB 4.22Å; E720-K771 HydrophobicContact CB-CD 3.98Å; E720-K771 HydrophobicContact CB-CG 4.27Å; E720-K771 PolarHBondContact OE2-N 3.41Å; T724-K771 HydrophobicContact CG2-CB 4.06Å; T724-K771 HydrophobicContact CG2-CD 4.38Å
772A82Confident79.3Confident7 Ų746.4 Ų46.46%0.05825%0.248CC..SBendtrans-71.7148.6176.400000111.9Y723 A764 T770Y723-A772 HydrophobicContact CD1-CB 4.07Å; Y723-A772 HydrophobicContact CD2-CB 3.81Å; Y723-A772 HydrophobicContact CE1-CB 4.25Å; Y723-A772 HydrophobicContact CE2-CB 4Å; Y723-A772 HydrophobicContact CG-CB 3.85Å; A764-A772 HydrophobicContact CB-CB 3.77Å; T770-A772 VanDerWaalsContact C-N 3.26Å; T770-A772 HydrophobicContact CG2-CB 3.97Å; T770-A772 PolarHBondContact OG1-N 3.17Å; T770-A772 VanDerWaalsContact OG1-N 3.15Å
773R83.6Confident79.2Confident72 Ų7246.6 Ų46.627%0.27225%0.248SC..SBendtrans-71-34.3178.9-70.6177.6179.7-167.3-7.2113.1E727 G757 Y760 S762E727-R773 IonicContact OE1-CZ 2.56Å; E727-R773 VanDerWaalsContact OE1-CZ 3.27Å; E727-R773 IonicContact OE1-NE 2.77Å; E727-R773 PolarHBondContact OE1-NE 3.39Å; E727-R773 IonicContact OE1-NH2 3.93Å; E727-R773 PolarHBondContact OE1-NH2 3.34Å; G757-R773 PolarHBondContact O-NH1 3.44Å; Y760-R773 PolarHBondContact O-NH1 2.86Å; S762-R773 PolarHBondContact O-N 3.12Å; S762-R773 PolarHBondContact OG-N 3.01Å
774Y86.4Confident79.1Confident42 Ų4251.9 Ų51.917%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-127.7163.8-174.8-52.8-76000110.9L494 L496 P497 F761 S762 V763 A764L494-Y774 HydrophobicContact CB-CD1 3.99Å; L494-Y774 HydrophobicContact CB-CE1 4.26Å; L494-Y774 VanDerWaalsContact O-CA 3.24Å; L494-Y774 WeakPolarHBondContact O-CA 3.38Å; L496-Y774 HydrophobicContact CD1-CD1 4.46Å; L496-Y774 HydrophobicContact CD1-CD2 3.83Å; L496-Y774 HydrophobicContact CD1-CG 3.75Å; P497-Y774 VanDerWaalsContact CD-CD1 3.48Å; P497-Y774 HydrophobicContact CG-CE1 3.9Å; F761-Y774 HydrophobicContact CD1-CD2 4.33Å; F761-Y774 AromaticContact CD1-CE2 3.72Å; F761-Y774 HydrophobicContact CD1-CE2 3.72Å; F761-Y774 HydrophobicContact CE1-CE2 4.49Å; S762-Y774 PolarHBondContact O-N 3.06Å; V763-Y774 WeakPolarHBondContact CA-O 3.25Å; A764-Y774 PolarHBondContact N-O 3.5Å
775F82.4Confident79.3Confident48 Ų4851.9 Ų51.921%0.21127%0.271CS..EExtended strand (participates in β ladder)trans-127.1156.5171.978.1-76.4000112.2T493 L494 E495 A764 D777T493-F775 HydrophobicContact CG2-CB 3.84Å; T493-F775 HydrophobicContact CG2-CD1 4.15Å; T493-F775 HydrophobicContact CG2-CG 4.44Å; T493-F775 WeakPolarHBondContact O-CD1 3.42Å; T493-F775 WeakPolarHBondContact O-CE1 2.91Å; L494-F775 WeakPolarHBondContact O-CD1 3.43Å; L494-F775 PolarHBondContact O-N 2.95Å; L494-F775 VanDerWaalsContact O-N 3.14Å; E495-F775 HydrophobicContact CB-CE1 4.27Å; A764-F775 CarbonylContact O-C 3.39Å; A764-F775 VanDerWaalsContact O-CA 3.24Å; A764-F775 WeakPolarHBondContact O-CA 3.19Å; F775-D777 WeakPolarHBondContact CE2-OD1 3.5Å
776L83.3Confident79.7Confident13 Ų1351.6 Ų51.67%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-126.2147.4162.2-72.2172.7000108.4L496 V763 A764 I765 G766 D781 V782 L785L496-L776 HydrophobicContact CB-CD2 4.21Å; L496-L776 HydrophobicContact CD2-CD1 4.27Å; L496-L776 HydrophobicContact CD2-CD2 4.24Å; L496-L776 HydrophobicContact CD2-CG 4.38Å; V763-L776 HydrophobicContact CG1-CB 4.24Å; V763-L776 HydrophobicContact CG1-CD1 3.87Å; V763-L776 HydrophobicContact CG1-CG 3.69Å; A764-L776 PolarHBondContact O-N 3.1Å; I765-L776 WeakPolarHBondContact CA-O 3.43Å; G766-L776 PolarHBondContact N-O 3.49Å; L776-D781 HydrophobicContact CB-CB 4.42Å; L776-D781 HydrophobicContact CD2-CB 4.14Å; L776-V782 HydrophobicContact CD1-CG2 3.97Å; L776-L785 HydrophobicContact CD1-CD2 4.31Å
777D76.8Confident80.7Confident120 Ų12049.2 Ų49.264%0.64225%0.245SC*.SBendtrans-72.8-38.1-175.6-72.6-36.8000112.6F775F775-D777 WeakPolarHBondContact CE2-OD1 3.5Å
778S79.8Confident81.8Confident37 Ų3750.2 Ų50.226%0.25925%0.249SC..  trans-147.3164.1-170.175.10000113.8D780 D781S778-D780 PolarHBondContact O-N 2.91Å; S778-D780 PolarHBondContact OG-N 3.06Å; S778-D781 PolarHBondContact N-OD2 3.4Å; S778-D781 PolarHBondContact O-N 2.92Å; S778-D781 PolarHBondContact OG-OD2 3.19Å
779S81.5Confident83.3Confident7 Ų745.5 Ų45.55%0.04922%0.22CC..Hα-helixtrans-58.8-29.117057.20000112.6T522 P524 D781 V782 V783T522-S779 WeakPolarHBondContact O-CB 3.46Å; T522-S779 PolarHBondContact O-OG 2.95Å; P524-S779 VanDerWaalsContact CD-OG 3.32Å; P524-S779 WeakPolarHBondContact CD-OG 3.42Å; P524-S779 WeakPolarHBondContact CG-OG 3.14Å; S779-D781 PolarHBondContact O-N 3.49Å; S779-V782 WeakPolarHBondContact O-CB 3.22Å; S779-V782 PolarHBondContact O-N 3.43Å; S779-V782 VanDerWaalsContact O-N 3.15Å; S779-V783 WeakPolarHBondContact O-CG2 3.41Å; S779-V783 PolarHBondContact O-N 3.46Å
780D83Confident84.3Confident65 Ų6537.8 Ų37.835%0.34818%0.184SC..Hα-helixtrans-66.8-29.8-180-65.3-14.4000111.4H540 S778 V783 K784H540-D780 IonicContact NE2-OD1 2.8Å; S778-D780 PolarHBondContact O-N 2.91Å; S778-D780 PolarHBondContact OG-N 3.06Å; D780-V783 WeakPolarHBondContact O-CB 3.38Å; D780-V783 PolarHBondContact O-N 3.44Å; D780-K784 WeakPolarHBondContact O-CG 3.27Å; D780-K784 PolarHBondContact O-N 2.91Å; D780-K784 VanDerWaalsContact O-N 3.1Å
781D84.8Confident84.8Confident31 Ų3140.7 Ų40.717%0.16620%0.202CC..Hα-helixtrans-74-32.4175.8-54.9-51.2000111.3L776 S778 S779 V783 K784 L785L776-D781 HydrophobicContact CB-CB 4.42Å; L776-D781 HydrophobicContact CD2-CB 4.14Å; S778-D781 PolarHBondContact N-OD2 3.4Å; S778-D781 PolarHBondContact O-N 2.92Å; S778-D781 PolarHBondContact OG-OD2 3.19Å; S779-D781 PolarHBondContact O-N 3.49Å; D781-V783 VanDerWaalsContact C-N 3.33Å; D781-V783 PolarHBondContact O-N 2.87Å; D781-K784 PolarHBondContact O-N 2.77Å; D781-K784 IonicContact OD1-NZ 3.92Å; D781-K784 PolarHBondContact OD1-NZ 3.1Å; D781-L785 WeakPolarHBondContact O-CB 3.42Å; D781-L785 PolarHBondContact O-N 3.5Å
782V87Confident84.6Confident0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-62.5-41.5168.4-175.80000111T520 I712 I765 L776 S779 K784 L785 I786T520-V782 HydrophobicContact CG2-CG1 4.21Å; T520-V782 HydrophobicContact CG2-CG2 4.46Å; I712-V782 HydrophobicContact CD1-CG1 4.38Å; I712-V782 HydrophobicContact CG2-CG1 4.36Å; I712-V782 HydrophobicContact CG2-CG2 3.86Å; I765-V782 HydrophobicContact CD1-CG2 3.45Å; I765-V782 VanDerWaalsContact CD1-CG2 3.45Å; I765-V782 HydrophobicContact CG1-CG2 4.14Å; L776-V782 HydrophobicContact CD1-CG2 3.97Å; S779-V782 WeakPolarHBondContact O-CB 3.22Å; S779-V782 PolarHBondContact O-N 3.43Å; S779-V782 VanDerWaalsContact O-N 3.15Å; V782-K784 VanDerWaalsContact C-N 3.32Å; V782-K784 PolarHBondContact O-N 3.46Å; V782-L785 PolarHBondContact O-N 2.97Å; V782-I786 HydrophobicContact CG1-CD1 3.83Å; V782-I786 HydrophobicContact CG1-CG1 4.3Å; V782-I786 WeakPolarHBondContact O-CB 3.48Å; V782-I786 WeakPolarHBondContact O-CG1 3.17Å; V782-I786 PolarHBondContact O-N 3.09Å
783V87.6Confident84Confident3 Ų341.2 Ų41.22%0.01821%0.206CC..Hα-helixtrans-59.1-44.5175.5179.50000110.9H540 Q542 L543 R546 S779 D780 D781 G787H540-V783 HydrophobicContact CB-CG2 4.39Å; Q542-V783 HydrophobicContact CB-CG1 3.85Å; L543-V783 HydrophobicContact CD1-CG2 4.1Å; L543-V783 HydrophobicContact CD2-CB 4.24Å; L543-V783 HydrophobicContact CD2-CG1 4.17Å; L543-V783 HydrophobicContact CD2-CG2 4.01Å; L543-V783 HydrophobicContact CG-CG1 4.49Å; L543-V783 HydrophobicContact CG-CG2 3.89Å; R546-V783 PolarHBondContact NH1-O 2.9Å; S779-V783 WeakPolarHBondContact O-CG2 3.41Å; S779-V783 PolarHBondContact O-N 3.46Å; D780-V783 WeakPolarHBondContact O-CB 3.38Å; D780-V783 PolarHBondContact O-N 3.44Å; D781-V783 VanDerWaalsContact C-N 3.33Å; D781-V783 PolarHBondContact O-N 2.87Å; V783-G787 PolarHBondContact O-N 2.93Å
784K87.9Confident82.8Confident112 Ų11243.7 Ų43.749%0.48723%0.225SC..Hα-helixtrans-63.1-47.4176.5-66.6170.6-160.6154.30111.5D780 D781 V782 G787 K788D780-K784 WeakPolarHBondContact O-CG 3.27Å; D780-K784 PolarHBondContact O-N 2.91Å; D780-K784 VanDerWaalsContact O-N 3.1Å; D781-K784 PolarHBondContact O-N 2.77Å; D781-K784 IonicContact OD1-NZ 3.92Å; D781-K784 PolarHBondContact OD1-NZ 3.1Å; V782-K784 VanDerWaalsContact C-N 3.32Å; V782-K784 PolarHBondContact O-N 3.46Å; K784-G787 WeakPolarHBondContact O-CA 3.3Å; K784-G787 PolarHBondContact O-N 3.4Å; K784-G787 VanDerWaalsContact O-N 3.16Å; K784-K788 WeakPolarHBondContact O-CG 3.21Å; K784-K788 PolarHBondContact O-N 3.23Å
785L89.6Confident80.7Confident0 Ų047.7 Ų47.70%027%0.266CS..Hα-helixtrans-60.3-49.9-179.7-179.264.6000111.7L496 E498 V501 L710 I712 L776 D781 V782 G787 K788 L789L496-L785 HydrophobicContact CD2-CD1 4.29Å; L496-L785 HydrophobicContact CD2-CD2 3.59Å; E498-L785 HydrophobicContact CG-CD1 4.42Å; V501-L785 HydrophobicContact CG1-CD1 4.29Å; L710-L785 HydrophobicContact CD2-CD2 4.46Å; I712-L785 HydrophobicContact CD1-CD2 3.76Å; L776-L785 HydrophobicContact CD1-CD2 4.31Å; D781-L785 WeakPolarHBondContact O-CB 3.42Å; D781-L785 PolarHBondContact O-N 3.5Å; V782-L785 PolarHBondContact O-N 2.97Å; L785-G787 PolarHBondContact O-N 3.14Å; L785-K788 WeakPolarHBondContact O-CB 3.36Å; L785-K788 PolarHBondContact O-N 3.18Å; L785-L789 WeakPolarHBondContact O-CG 3.19Å; L785-L789 PolarHBondContact O-N 3.14Å
786I89.7Confident80.7Confident3 Ų347.7 Ų47.72%0.01527%0.269CS..Hα-helixtrans-57.9-39.5175.6-73.7175.8000110.8L515 L521 L543 R546 L547 L550 V782 L789 C790L515-I786 HydrophobicContact CD1-CD1 4.42Å; L521-I786 HydrophobicContact CD2-CD1 4.08Å; L543-I786 HydrophobicContact CD2-CB 4.1Å; L543-I786 HydrophobicContact CD2-CD1 3.85Å; L543-I786 HydrophobicContact CD2-CG2 3.91Å; R546-I786 HydrophobicContact CB-CG2 3.88Å; L547-I786 HydrophobicContact CD2-CD1 4.47Å; L550-I786 HydrophobicContact CD1-CG2 3.76Å; V782-I786 HydrophobicContact CG1-CD1 3.83Å; V782-I786 HydrophobicContact CG1-CG1 4.3Å; V782-I786 WeakPolarHBondContact O-CB 3.48Å; V782-I786 WeakPolarHBondContact O-CG1 3.17Å; V782-I786 PolarHBondContact O-N 3.09Å; I786-L789 PolarHBondContact O-N 2.8Å; I786-C790 PolarHBondContact O-N 3.38Å; I786-C790 VanDerWaalsContact O-N 3.09Å; I786-C790 PolarHBondContact O-SG 2.94Å
787G88.5Confident80.5Confident6 Ų649.5 Ų49.56%0.06228%0.28CS..Hα-helixtrans-58.8-45.7173.200000113.6R546 V783 K784 L785 C790 T791R546-G787 VanDerWaalsContact CZ-CA 3.48Å; R546-G787 VanDerWaalsContact NH1-CA 3.25Å; V783-G787 PolarHBondContact O-N 2.93Å; K784-G787 WeakPolarHBondContact O-CA 3.3Å; K784-G787 PolarHBondContact O-N 3.4Å; K784-G787 VanDerWaalsContact O-N 3.16Å; L785-G787 PolarHBondContact O-N 3.14Å; G787-C790 PolarHBondContact O-N 2.77Å; G787-T791 PolarHBondContact O-N 3.19Å; G787-T791 VanDerWaalsContact O-N 3.09Å; G787-T791 PolarHBondContact O-OG1 3.26Å
788K88.7Confident80.7Confident82 Ų8245.6 Ų45.636%0.35726%0.26SS..Hα-helixtrans-64.5-40.4178.2-68177.4-176.6-1800111.8E498 I502 K784 L785 C790 T791 H792E498-K788 IonicContact OE2-NZ 2.96Å; E498-K788 PolarHBondContact OE2-NZ 3.34Å; I502-K788 HydrophobicContact CD1-CB 3.65Å; I502-K788 HydrophobicContact CD1-CD 3.88Å; I502-K788 HydrophobicContact CD1-CG 4.34Å; I502-K788 HydrophobicContact CG1-CB 4.32Å; K784-K788 WeakPolarHBondContact O-CG 3.21Å; K784-K788 PolarHBondContact O-N 3.23Å; L785-K788 WeakPolarHBondContact O-CB 3.36Å; L785-K788 PolarHBondContact O-N 3.18Å; K788-C790 VanDerWaalsContact C-N 3.34Å; K788-C790 PolarHBondContact O-N 2.8Å; K788-T791 WeakPolarHBondContact CA-OG1 3.46Å; K788-T791 PolarHBondContact O-N 2.78Å; K788-T791 PolarHBondContact O-OG1 2.91Å; K788-H792 PolarHBondContact O-CD2 2.86Å; K788-H792 PolarHBondContact O-N 3.32Å; K788-H792 VanDerWaalsContact O-N 3.1Å
789L88.8Confident80.8Confident1 Ų146.1 Ų46.11%0.00526%0.26CS..Hα-helixtrans-60.4-42175.5-66.7175.8000112I502 Y505 L710 L785 I786 N793I502-L789 HydrophobicContact CG1-CD2 4.17Å; Y505-L789 HydrophobicContact CD1-CD2 3.88Å; Y505-L789 HydrophobicContact CD2-CD2 3.94Å; Y505-L789 HydrophobicContact CE1-CB 4.37Å; Y505-L789 HydrophobicContact CE1-CD2 4.44Å; Y505-L789 HydrophobicContact CG-CD2 3.61Å; L710-L789 HydrophobicContact CD2-CD1 3.83Å; L785-L789 WeakPolarHBondContact O-CG 3.19Å; L785-L789 PolarHBondContact O-N 3.14Å; I786-L789 PolarHBondContact O-N 2.8Å; L789-N793 PolarHBondContact O-N 3.17Å
790C86.2Confident80.7Confident4 Ų448.5 Ų48.53%0.02727%0.273CS..Hα-helixtrans-64-47.5176.1-60.50000111.5I786 G787 K788 H792 N793I786-C790 PolarHBondContact O-N 3.38Å; I786-C790 VanDerWaalsContact O-N 3.09Å; I786-C790 PolarHBondContact O-SG 2.94Å; G787-C790 PolarHBondContact O-N 2.77Å; K788-C790 VanDerWaalsContact C-N 3.34Å; K788-C790 PolarHBondContact O-N 2.8Å; C790-H792 VanDerWaalsContact C-N 3.29Å; C790-H792 PolarHBondContact O-N 3.4Å; C790-N793 WeakPolarHBondContact O-CB 3.5Å; C790-N793 PolarHBondContact O-N 2.87Å; C790-N793 VanDerWaalsContact O-N 3.09Å
791T82.4Confident80.6Confident91 Ų9147.4 Ų47.456%0.55827%0.268SS*.Hα-helixtrans-62-34.3-178.550.30000113.6G787 K788G787-T791 PolarHBondContact O-N 3.19Å; G787-T791 VanDerWaalsContact O-N 3.09Å; G787-T791 PolarHBondContact O-OG1 3.26Å; K788-T791 WeakPolarHBondContact CA-OG1 3.46Å; K788-T791 PolarHBondContact O-N 2.78Å; K788-T791 PolarHBondContact O-OG1 2.91Å
792H76.8Confident80.3Confident89 Ų8948.6 Ų48.641%0.41228%0.275SS..THydrogen-bonded Turntrans-87.8-3.6178.4-80.6-77.4000114I502 S506 K788 C790I502-H792 HydrophobicContact CG2-CB 3.78Å; I502-H792 VanDerWaalsContact CG2-CD2 3.41Å; I502-H792 WeakPolarHBondContact CG2-CD2 3.41Å; S506-H792 PolarHBondContact OG-O 2.79Å; K788-H792 PolarHBondContact O-CD2 2.86Å; K788-H792 PolarHBondContact O-N 3.32Å; K788-H792 VanDerWaalsContact O-N 3.1Å; C790-H792 VanDerWaalsContact C-N 3.29Å; C790-H792 PolarHBondContact O-N 3.4Å
793N69.5Low79.8Confident40 Ų4052.3 Ų52.321%0.21430%0.296CS..THydrogen-bonded Turntrans-83.2-26.1171.5-151.124.5000111.9Y505 R511 D553 L789 C790Y505-N793 HydrophobicContact CE1-CB 4.38Å; R511-N793 PolarHBondContact NH1-OD1 3.29Å; D553-N793 PolarHBondContact OD2-ND2 3.08Å; L789-N793 PolarHBondContact O-N 3.17Å; C790-N793 WeakPolarHBondContact O-CB 3.5Å; C790-N793 PolarHBondContact O-N 2.87Å; C790-N793 VanDerWaalsContact O-N 3.09Å
794N58.2Low79.1Confident123 Ų12356.4 Ų56.466%0.65832%0.32SS*.  trans-93.8-2.7179.2-65.4-29000113.8E549E549-N794 PolarHBondContact OE1-ND2 3.33Å
795A43.1Very low78.3Confident126 Ų12651.4 Ų51.4100%1.04130%0.304SS*.  trans-103.20175.300000109.4

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