A0A077ZH07_TRITR Loading...

G-patch domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZH07, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 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
1M43.3Very low65.2Low217 Ų21799.5 Ų99.5100%1.06955%0.547SS*.  0122.40-70.1-173.7-177.200106.1Q3M1-Q3 PolarHBondContact O-N 2.97Å
2G48.4Very low67.1Low72 Ų7291.2 Ų91.274%0.74250%0.501SS*.  trans-59.6111.4-17900000109I4G2-I4 VanDerWaalsContact C-N 3.31Å; G2-I4 PolarHBondContact O-N 3.32Å
3Q49.3Very low68.9Low183 Ų18385.6 Ų85.686%0.85547%0.471SS*.  trans-66.3102167.4-168.6169.6-2.600104.4M1 D5M1-Q3 PolarHBondContact O-N 2.97Å; Q3-D5 PolarHBondContact O-N 3.05Å; Q3-D5 VanDerWaalsContact O-N 3.13Å
4I55.4Low70.5Confident56 Ų5679.6 Ų79.629%0.28744%0.438SS..  trans-68.7112.5-178.6-66.3162000105.9G2 T78G2-I4 VanDerWaalsContact C-N 3.31Å; G2-I4 PolarHBondContact O-N 3.32Å; I4-T78 HydrophobicContact CG2-CG2 3.34Å
5D59Low71.8Confident106 Ų10676.8 Ų76.857%0.56742%0.421SS*.  trans-59.6131-178.6-69.2-44.3000109.7Q3 Q7 D8Q3-D5 PolarHBondContact O-N 3.05Å; Q3-D5 VanDerWaalsContact O-N 3.13Å; D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 VanDerWaalsContact O-N 3.1Å; D5-D8 PolarHBondContact O-N 3.28Å
6P61.3Low72.8Confident94 Ų9473 Ų7361%0.6140%0.4SS*.G310 helixtrans-62.8-20.1-176.523.6-32.4000112.7D8 S9P6-D8 VanDerWaalsContact C-N 3.31Å; P6-D8 PolarHBondContact O-N 2.71Å; P6-S9 VanDerWaalsContact O-CB 3.32Å; P6-S9 WeakPolarHBondContact O-CB 3.35Å; P6-S9 PolarHBondContact O-N 3.32Å; P6-S9 PolarHBondContact O-OG 3.41Å
7Q65Low73.9Confident186 Ų18668.7 Ų68.787%0.86938%0.376SS*.G310 helixtrans-68.7-25.2-177.2-62.2-158.7-3.200113.8D5 S9D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 VanDerWaalsContact O-N 3.1Å; Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 3.22Å
8D77.3Confident74.8Confident106 Ų10665.1 Ų65.157%0.56736%0.357SS*.G310 helixtrans-95.518178.6-73.4-19000113.4D5 P6 C10 T78 H79D5-D8 PolarHBondContact O-N 3.28Å; P6-D8 VanDerWaalsContact C-N 3.31Å; P6-D8 PolarHBondContact O-N 2.71Å; D8-C10 PolarHBondContact O-N 3.24Å; D8-T78 WeakPolarHBondContact O-CA 3.37Å; D8-H79 PolarHBondContact O-N 2.78Å
9S81.8Confident75.5Confident25 Ų2564.7 Ų64.718%0.17536%0.359CS..EExtended strand (participates in β ladder)trans-69.4114.2-179.3-59.20000111.2P6 Q7 Q40 K76P6-S9 VanDerWaalsContact O-CB 3.32Å; P6-S9 WeakPolarHBondContact O-CB 3.35Å; P6-S9 PolarHBondContact O-N 3.32Å; P6-S9 PolarHBondContact O-OG 3.41Å; Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 3.22Å; S9-Q40 PolarHBondContact OG-OE1 3.32Å; S9-Q40 VanDerWaalsContact OG-OE1 3.14Å; S9-K76 VanDerWaalsContact CB-CE 3.43Å; S9-K76 VanDerWaalsContact OG-CE 3.28Å; S9-K76 WeakPolarHBondContact OG-CE 3.47Å
10C87.5Confident76.1Confident28 Ų2866.1 Ų66.119%0.18937%0.369CS..EExtended strand (participates in β ladder)trans-110.6156.5171.5-75.50000111.1D8 L77D8-C10 PolarHBondContact O-N 3.24Å; C10-L77 CarbonylContact C-O 3.51Å; C10-L77 WeakPolarHBondContact CA-O 3.41Å; C10-L77 WeakPolarHBondContact CB-O 3.5Å; C10-L77 PolarHBondContact N-O 3.23Å; C10-L77 PolarHBondContact O-N 3.46Å
11Y88.3Confident76.8Confident21 Ų2163 Ų638%0.08235%0.352CS..EExtended strand (participates in β ladder)trans-115.4140.3177.6-59.4-85000111.2V74 V75 K76 V111 A114 V117 L123Y11-V74 HydrophobicContact CD1-CG1 4.43Å; Y11-V75 WeakPolarHBondContact CA-O 3.35Å; Y11-K76 HydrophobicContact CD1-CB 4.09Å; Y11-K76 HydrophobicContact CD1-CG 4.15Å; Y11-K76 HydrophobicContact CE1-CB 3.89Å; Y11-K76 HydrophobicContact CE1-CD 3.99Å; Y11-K76 HydrophobicContact CE1-CG 3.64Å; Y11-V111 PolarHBondContact O-N 3.03Å; Y11-A114 HydrophobicContact CD2-CB 3.81Å; Y11-A114 HydrophobicContact CE2-CB 3.56Å; Y11-V117 HydrophobicContact CD1-CG1 3.73Å; Y11-V117 HydrophobicContact CE1-CG1 4.24Å; Y11-V117 HydrophobicContact CG-CG1 3.98Å; Y11-L123 HydrophobicContact CD1-CD1 4.16Å; Y11-L123 HydrophobicContact CE1-CD1 3.48Å; Y11-L123 VanDerWaalsContact CE1-CD1 3.48Å; Y11-L123 HydrophobicContact CE1-CD2 4.24Å
12A89.1Confident79Confident0 Ų057.3 Ų57.30%032%0.323CS..EExtended strand (participates in β ladder)trans-132.7147.1171.300000108.9V75 L77 R82 I108 S109A12-V75 PolarHBondContact N-O 2.99Å; A12-V75 PolarHBondContact O-N 3.32Å; A12-L77 HydrophobicContact CB-CD2 4.3Å; A12-R82 HydrophobicContact CB-CG 4.25Å; A12-I108 HydrophobicContact CB-CG2 4.11Å; A12-S109 WeakPolarHBondContact CA-O 3.39Å
13V90.1Very high81Confident19 Ų1955 Ų5512%0.11530%0.295CS..EExtended strand (participates in β ladder)trans-113.1127.1177.2179.90000108.6H15 C72 V74 I108 S109 V111V13-H15 VanDerWaalsContact CB-CE1 3.49Å; V13-H15 WeakPolarHBondContact CB-CE1 3.32Å; V13-H15 WeakPolarHBondContact CG1-CE1 3.13Å; V13-H15 WeakPolarHBondContact CG1-NE2 3.38Å; V13-H15 PolarHBondContact O-CE1 3.49Å; V13-H15 PolarHBondContact O-ND1 2.87Å; V13-H15 VanDerWaalsContact O-ND1 3.08Å; V13-C72 HydrophobicContact CG1-CB 4.49Å; V13-V74 HydrophobicContact CG2-CG2 4.15Å; V13-I108 WeakPolarHBondContact O-CA 3.48Å; V13-S109 PolarHBondContact N-O 3.41Å; V13-S109 PolarHBondContact O-N 3.15Å; V13-V111 HydrophobicContact CB-CG2 4.21Å; V13-V111 HydrophobicContact CG2-CG2 3.37Å
14V91.1Very high82.9Confident1 Ų150.3 Ų50.31%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-95.7122.7175.9-176.90000107.7I17 F30 C72 A73 V75 W94 I108V14-I17 HydrophobicContact CB-CD1 4.36Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.02Å; V14-F30 HydrophobicContact CG1-CZ 4.24Å; V14-F30 HydrophobicContact CG2-CZ 4.49Å; V14-C72 CarbonylContact O-C 3.55Å; V14-C72 VanDerWaalsContact O-CA 3.26Å; V14-C72 WeakPolarHBondContact O-CA 3.47Å; V14-A73 PolarHBondContact N-O 3.02Å; V14-A73 PolarHBondContact O-N 2.91Å; V14-V75 HydrophobicContact CG2-CG2 3.69Å; V14-W94 HydrophobicContact CG1-CH2 3.69Å; V14-W94 HydrophobicContact CG1-CZ2 3.93Å; V14-I108 HydrophobicContact CG2-CG1 4.36Å
15H89.9Confident84.7Confident38 Ų3848.2 Ų48.218%0.17626%0.261CS..EExtended strand (participates in β ladder)trans-111.1173.1-176.9-53.374.5000110.5V13 I17 E49 E107 S109V13-H15 VanDerWaalsContact CB-CE1 3.49Å; V13-H15 WeakPolarHBondContact CB-CE1 3.32Å; V13-H15 WeakPolarHBondContact CG1-CE1 3.13Å; V13-H15 WeakPolarHBondContact CG1-NE2 3.38Å; V13-H15 PolarHBondContact O-CE1 3.49Å; V13-H15 PolarHBondContact O-ND1 2.87Å; V13-H15 VanDerWaalsContact O-ND1 3.08Å; H15-I17 PolarHBondContact O-N 3.1Å; H15-E49 IonicContact CD2-OE1 3.96Å; H15-E107 HydrophobicContact CB-CB 4.25Å; H15-E107 PolarHBondContact N-O 3.23Å; H15-E107 PolarHBondContact ND1-O 2.53Å; H15-S109 PolarHBondContact CE1-OG 3.16Å
16N88.5Confident86.2Confident16 Ų1643.1 Ų43.19%0.08623%0.234CC..EExtended strand (participates in β ladder)trans61.125.7172.5-154.225.4000113.8E49 R51 T70 W94 K105N16-E49 WeakPolarHBondContact CA-OE2 3.45Å; N16-E49 PolarHBondContact N-OE2 3.25Å; N16-R51 VanDerWaalsContact CB-NH2 3.28Å; N16-R51 PolarHBondContact OD1-NH2 3.49Å; N16-T70 VanDerWaalsContact OD1-CG2 3.28Å; N16-T70 WeakPolarHBondContact OD1-CG2 2.98Å; N16-W94 PolarHBondContact O-NE1 3.14Å; N16-K105 WeakPolarHBondContact CB-O 3.42Å; N16-K105 PolarHBondContact ND2-N 3.47Å; N16-K105 PolarHBondContact ND2-O 3.22Å
17I91.1Very high87.6Confident0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-71.9125.2176.2-58.6169.1000107.2V14 H15 L26 F44 T70 C71 A73 W94V14-I17 HydrophobicContact CB-CD1 4.36Å; V14-I17 HydrophobicContact CG1-CD1 3.97Å; V14-I17 HydrophobicContact CG1-CG1 4.02Å; H15-I17 PolarHBondContact O-N 3.1Å; I17-L26 HydrophobicContact CD1-CD1 4.39Å; I17-L26 HydrophobicContact CD1-CD2 4.46Å; I17-L26 HydrophobicContact CG2-CD2 4.05Å; I17-F44 HydrophobicContact CD1-CD2 4.25Å; I17-F44 HydrophobicContact CD1-CE2 3.8Å; I17-F44 HydrophobicContact CG2-CE2 4.18Å; I17-F44 HydrophobicContact CG2-CZ 3.93Å; I17-T70 CarbonylContact O-C 3.55Å; I17-T70 VanDerWaalsContact O-CA 3.3Å; I17-T70 WeakPolarHBondContact O-CA 3.5Å; I17-C71 HydrophobicContact CB-CB 4.16Å; I17-C71 WeakPolarHBondContact CB-O 3.48Å; I17-C71 PolarHBondContact N-O 2.76Å; I17-C71 PolarHBondContact O-N 3.23Å; I17-A73 HydrophobicContact CD1-CB 3.84Å; I17-W94 HydrophobicContact CB-CZ2 4.38Å; I17-W94 HydrophobicContact CG1-CH2 3.91Å; I17-W94 HydrophobicContact CG1-CZ2 3.62Å
18P90.3Very high88.8Confident4 Ų432.8 Ų32.83%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-62.1141.1179.1-19.331000111.1T20 Y21 W94 L104P18-T20 PolarHBondContact O-N 3.33Å; P18-Y21 HydrophobicContact CB-CD2 3.59Å; P18-Y21 HydrophobicContact CB-CE2 3.98Å; P18-Y21 HydrophobicContact CB-CG 4.29Å; P18-Y21 HydrophobicContact CG-CD2 3.58Å; P18-Y21 HydrophobicContact CG-CE2 3.6Å; P18-Y21 HydrophobicContact CG-CG 4.13Å; P18-Y21 WeakPolarHBondContact O-CB 3.25Å; P18-Y21 PolarHBondContact O-N 3.1Å; P18-W94 HydrophobicContact CG-CB 4.47Å; P18-W94 HydrophobicContact CG-CG 4.31Å; P18-L104 HydrophobicContact CB-CD1 4.35Å; P18-L104 HydrophobicContact CG-CD1 4.12Å
19S87Confident89.5Confident57 Ų5728.2 Ų28.240%0.39916%0.157SC..THydrogen-bonded Turntrans-60.6-21.6-179.759.80000114.4Y21 K69S19-Y21 VanDerWaalsContact C-N 3.32Å; S19-K69 WeakPolarHBondContact CB-O 3.39Å; S19-K69 PolarHBondContact N-O 3.49Å; S19-K69 VanDerWaalsContact N-O 3.15Å; S19-K69 PolarHBondContact OG-O 2.86Å
20T88.5Confident90Very high92 Ų9227 Ų2756%0.56415%0.149SC*.THydrogen-bonded Turntrans-77.3-16.9177.353.50000113.2P18 H22P18-T20 PolarHBondContact O-N 3.33Å; T20-H22 PolarHBondContact O-CE1 3.35Å; T20-H22 PolarHBondContact O-ND1 3.4Å
21Y90.2Very high90.1Very high1 Ų128.1 Ų28.10%0.00416%0.157CC..  trans-75.2138-177.4-86.3-132.6000110.6P18 S19 D25 L26 H46 W94 A95 N96 H102P18-Y21 HydrophobicContact CB-CD2 3.59Å; P18-Y21 HydrophobicContact CB-CE2 3.98Å; P18-Y21 HydrophobicContact CB-CG 4.29Å; P18-Y21 HydrophobicContact CG-CD2 3.58Å; P18-Y21 HydrophobicContact CG-CE2 3.6Å; P18-Y21 HydrophobicContact CG-CG 4.13Å; P18-Y21 WeakPolarHBondContact O-CB 3.25Å; P18-Y21 PolarHBondContact O-N 3.1Å; S19-Y21 VanDerWaalsContact C-N 3.32Å; Y21-D25 HydrophobicContact CD1-CB 3.67Å; Y21-D25 HydrophobicContact CE1-CB 4.08Å; Y21-D25 HydrophobicContact CG-CB 4.14Å; Y21-L26 HydrophobicContact CD1-CD2 4.32Å; Y21-H46 PolarHBondContact O-CE1 2.68Å; Y21-W94 HydrophobicContact CD1-CE3 4.48Å; Y21-W94 HydrophobicContact CE1-CB 3.76Å; Y21-W94 HydrophobicContact CE1-CD2 4.39Å; Y21-W94 HydrophobicContact CE1-CE3 4.14Å; Y21-W94 HydrophobicContact CE1-CG 4.29Å; Y21-W94 VanDerWaalsContact OH-C 3.28Å; Y21-W94 WeakPolarHBondContact OH-CB 3.49Å; Y21-A95 WeakPolarHBondContact CE1-O 3.37Å; Y21-A95 WeakPolarHBondContact OH-CA 3.12Å; Y21-A95 PolarHBondContact OH-N 3.07Å; Y21-A95 PolarHBondContact OH-O 3.31Å; Y21-N96 WeakPolarHBondContact CE2-OD1 3.18Å; Y21-N96 PolarHBondContact OH-N 3.02Å; Y21-N96 PolarHBondContact OH-OD1 3.07Å; Y21-H102 HydrophobicContact CE2-CB 4.39Å
22H90.7Very high90.3Very high99 Ų9930.6 Ų30.646%0.45817%0.174SC..  trans-113.6175.3175.6-70.871.6000110.8T20 K24 D25 L26 H46T20-H22 PolarHBondContact O-CE1 3.35Å; T20-H22 PolarHBondContact O-ND1 3.4Å; H22-K24 HydrophobicContact CB-CG 4.36Å; H22-K24 PolarHBondContact O-N 3.38Å; H22-K24 VanDerWaalsContact O-N 3.1Å; H22-D25 PolarHBondContact N-OD2 3.41Å; H22-D25 PolarHBondContact O-N 3.05Å; H22-L26 PolarHBondContact O-N 3.42Å; H22-H46 AromaticContact CD2-NE2 3.84Å
23S89.2Confident90.4Very high23 Ų2331 Ų3116%0.16118%0.176CC..Hα-helixtrans-54-32.7178.5-650000113.1R27S23-R27 WeakPolarHBondContact O-CB 3.35Å; S23-R27 VanDerWaalsContact O-CG 3.25Å; S23-R27 WeakPolarHBondContact O-CG 3.42Å; S23-R27 PolarHBondContact O-N 3.5Å
24K90.1Very high90.4Very high84 Ų8430.1 Ų30.137%0.36517%0.171SC..Hα-helixtrans-65.4-36.3177.170.2180-175.9174.70113.3H22 S28H22-K24 HydrophobicContact CB-CG 4.36Å; H22-K24 PolarHBondContact O-N 3.38Å; H22-K24 VanDerWaalsContact O-N 3.1Å; K24-S28 PolarHBondContact O-N 2.79Å; K24-S28 VanDerWaalsContact O-N 3.15Å
25D91.9Very high90.4Very high12 Ų1234.5 Ų34.56%0.06419%0.191CC..Hα-helixtrans-74.7-43.5-177.7-55-61.6000109.6Y21 H22 R27 S28 F29 F97Y21-D25 HydrophobicContact CD1-CB 3.67Å; Y21-D25 HydrophobicContact CE1-CB 4.08Å; Y21-D25 HydrophobicContact CG-CB 4.14Å; H22-D25 PolarHBondContact N-OD2 3.41Å; H22-D25 PolarHBondContact O-N 3.05Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 PolarHBondContact O-N 2.94Å; D25-S28 WeakPolarHBondContact O-CB 3.41Å; D25-S28 PolarHBondContact O-N 3.35Å; D25-S28 VanDerWaalsContact O-N 3.16Å; D25-F29 PolarHBondContact O-N 3.07Å; D25-F97 VanDerWaalsContact OD1-CB 3.23Å; D25-F97 WeakPolarHBondContact OD1-CB 3.45Å; D25-F97 PolarHBondContact OD1-N 3.21Å
26L91.5Very high90.4Very high0 Ų034.9 Ų34.90%020%0.198CC..Hα-helixtrans-61.6-38.3173.8-63.2-179.6000112.2I17 Y21 H22 F29 F30 F42 F44 W94 V134I17-L26 HydrophobicContact CD1-CD1 4.39Å; I17-L26 HydrophobicContact CD1-CD2 4.46Å; I17-L26 HydrophobicContact CG2-CD2 4.05Å; Y21-L26 HydrophobicContact CD1-CD2 4.32Å; H22-L26 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.34Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CB 3.42Å; L26-F30 VanDerWaalsContact O-CD2 3.3Å; L26-F30 WeakPolarHBondContact O-CD2 3.49Å; L26-F30 PolarHBondContact O-N 3.09Å; L26-F42 HydrophobicContact CD1-CZ 4.24Å; L26-F44 HydrophobicContact CD1-CB 3.9Å; L26-F44 HydrophobicContact CD1-CD1 3.74Å; L26-F44 HydrophobicContact CD1-CD2 3.78Å; L26-F44 HydrophobicContact CD1-CE1 4.15Å; L26-F44 HydrophobicContact CD1-CE2 4.2Å; L26-F44 HydrophobicContact CD1-CG 3.52Å; L26-F44 HydrophobicContact CD1-CZ 4.37Å; L26-W94 HydrophobicContact CD2-CE3 4.34Å; L26-W94 HydrophobicContact CD2-CH2 3.98Å; L26-W94 HydrophobicContact CD2-CZ3 3.61Å; L26-V134 HydrophobicContact CB-CG1 4.02Å; L26-V134 HydrophobicContact CB-CG2 3.93Å; L26-V134 HydrophobicContact CD1-CG2 4.28Å
27R90.3Very high90.5Very high16 Ų1636.4 Ų36.46%0.0621%0.206CC..Hα-helixtrans-60.4-44.3173.3-80.1173.6168.1-77.2-20.4112.3S23 D25 S31 N133 V134 T136 F141S23-R27 WeakPolarHBondContact O-CB 3.35Å; S23-R27 VanDerWaalsContact O-CG 3.25Å; S23-R27 WeakPolarHBondContact O-CG 3.42Å; S23-R27 PolarHBondContact O-N 3.5Å; D25-R27 VanDerWaalsContact C-N 3.31Å; D25-R27 PolarHBondContact O-N 2.94Å; R27-S31 VanDerWaalsContact O-CA 3.31Å; R27-S31 WeakPolarHBondContact O-CA 3.29Å; R27-S31 PolarHBondContact O-N 3.44Å; R27-N133 PolarHBondContact NE-O 3.39Å; R27-N133 VanDerWaalsContact NH2-C 3.27Å; R27-N133 PolarHBondContact NH2-O 3.12Å; R27-V134 HydrophobicContact CG-CB 4.31Å; R27-V134 HydrophobicContact CG-CG1 3.93Å; R27-T136 VanDerWaalsContact CZ-O 3.29Å; R27-T136 PolarHBondContact NH1-O 3.36Å; R27-T136 PolarHBondContact NH2-O 2.89Å; R27-F141 VanDerWaalsContact CZ-CE2 3.41Å; R27-F141 VanDerWaalsContact NH1-CE2 3.27Å; R27-F141 VanDerWaalsContact NH2-CZ 3.3Å
28S90.2Very high90.4Very high47 Ų4741 Ų4133%0.32922%0.224SC..Hα-helixtrans-63.8-46.4177.9-171.30000111K24 D25 S31K24-S28 PolarHBondContact O-N 2.79Å; K24-S28 VanDerWaalsContact O-N 3.15Å; D25-S28 WeakPolarHBondContact O-CB 3.41Å; D25-S28 PolarHBondContact O-N 3.35Å; D25-S28 VanDerWaalsContact O-N 3.16Å; S28-S31 WeakPolarHBondContact O-CB 3.35Å; S28-S31 PolarHBondContact O-N 3.11Å; S28-S31 PolarHBondContact O-OG 2.92Å
29F92.1Very high90.3Very high9 Ų941 Ų414%0.03922%0.223CC..Hα-helixtrans-62.7-50.9179.5-174.5-102.3000112.3D25 L26 S31 Y89 R92 R93 W94 A95 C106D25-F29 PolarHBondContact O-N 3.07Å; L26-F29 PolarHBondContact O-N 3.34Å; F29-S31 PolarHBondContact O-N 2.84Å; F29-Y89 AromaticContact CD1-CD1 3.91Å; F29-Y89 HydrophobicContact CD1-CD1 3.91Å; F29-Y89 HydrophobicContact CD1-CE1 4.01Å; F29-Y89 AromaticContact CE1-CD1 3.34Å; F29-Y89 HydrophobicContact CE1-CD1 3.34Å; F29-Y89 AromaticContact CE1-CE1 3.9Å; F29-Y89 HydrophobicContact CE1-CE1 3.9Å; F29-Y89 HydrophobicContact CE1-CG 4.28Å; F29-Y89 AromaticContact CZ-CD1 3.74Å; F29-Y89 HydrophobicContact CZ-CD1 3.74Å; F29-Y89 HydrophobicContact CZ-CE1 4.33Å; F29-Y89 WeakPolarHBondContact O-CE1 3.21Å; F29-Y89 PolarHBondContact O-OH 2.84Å; F29-Y89 VanDerWaalsContact O-OH 3.12Å; F29-R92 HydrophobicContact CE2-CG 4.02Å; F29-R92 HydrophobicContact CZ-CB 4.07Å; F29-R92 HydrophobicContact CZ-CG 4.06Å; F29-R93 VanDerWaalsContact CE2-O 3.28Å; F29-R93 WeakPolarHBondContact CE2-O 3.25Å; F29-W94 HydrophobicContact CB-CZ3 4.49Å; F29-W94 AromaticContact CD1-CE3 3.7Å; F29-W94 HydrophobicContact CD1-CE3 3.7Å; F29-W94 HydrophobicContact CD1-CH2 4.31Å; F29-W94 AromaticContact CD1-CZ3 3.32Å; F29-W94 HydrophobicContact CD1-CZ3 3.32Å; F29-W94 HydrophobicContact CD2-CE3 4.08Å; F29-W94 AromaticContact CE1-CE3 3.74Å; F29-W94 HydrophobicContact CE1-CE3 3.74Å; F29-W94 HydrophobicContact CE1-CH2 4.15Å; F29-W94 AromaticContact CE1-CZ3 3.44Å; F29-W94 HydrophobicContact CE1-CZ3 3.44Å; F29-W94 VanDerWaalsContact CE1-CZ3 3.44Å; F29-W94 HydrophobicContact CE2-CE3 4.16Å; F29-W94 AromaticContact CG-CE3 3.84Å; F29-W94 HydrophobicContact CG-CE3 3.84Å; F29-W94 AromaticContact CG-CZ3 3.88Å; F29-W94 HydrophobicContact CG-CZ3 3.88Å; F29-W94 AromaticContact CZ-CE3 3.97Å; F29-W94 HydrophobicContact CZ-CE3 3.97Å; F29-W94 HydrophobicContact CZ-CZ3 4.14Å; F29-A95 HydrophobicContact CD2-CB 4.36Å; F29-C106 HydrophobicContact CE1-CB 4.08Å; F29-C106 HydrophobicContact CZ-CB 3.99Å
30F92.4Very high90.3Very high1 Ų139.9 Ų39.90%0.00421%0.212CC..THydrogen-bonded Turntrans-85.619.4178.5-63.9-68.3000113.8V14 L26 T32 F33 T34 F39 F42 L85 Y89 W94V14-F30 HydrophobicContact CG1-CZ 4.24Å; V14-F30 HydrophobicContact CG2-CZ 4.49Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CE2 4.31Å; L26-F30 WeakPolarHBondContact O-CB 3.42Å; L26-F30 VanDerWaalsContact O-CD2 3.3Å; L26-F30 WeakPolarHBondContact O-CD2 3.49Å; L26-F30 PolarHBondContact O-N 3.09Å; F30-T32 PolarHBondContact O-N 2.94Å; F30-T32 VanDerWaalsContact O-N 3.08Å; F30-F33 PolarHBondContact O-N 2.93Å; F30-T34 HydrophobicContact CB-CG2 4.07Å; F30-T34 WeakPolarHBondContact O-CG2 3.44Å; F30-T34 PolarHBondContact O-N 3.08Å; F30-T34 PolarHBondContact O-OG1 3.1Å; F30-F39 HydrophobicContact CB-CE2 4.13Å; F30-F39 HydrophobicContact CB-CZ 4.32Å; F30-F39 HydrophobicContact CD1-CZ 4.44Å; F30-F39 HydrophobicContact CG-CZ 4.43Å; F30-F42 AromaticContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CZ 4.43Å; F30-F42 HydrophobicContact CE2-CE1 4.02Å; F30-F42 HydrophobicContact CE2-CZ 4.25Å; F30-L85 HydrophobicContact CD1-CD1 4.15Å; F30-L85 HydrophobicContact CE1-CD1 4.21Å; F30-Y89 WeakPolarHBondContact CA-OH 3.04Å; F30-Y89 AromaticContact CD1-CD1 3.82Å; F30-Y89 HydrophobicContact CD1-CD1 3.82Å; F30-Y89 HydrophobicContact CD1-CD2 4Å; F30-Y89 AromaticContact CD1-CE1 3.79Å; F30-Y89 HydrophobicContact CD1-CE1 3.79Å; F30-Y89 AromaticContact CD1-CE2 3.99Å; F30-Y89 HydrophobicContact CD1-CE2 3.99Å; F30-Y89 AromaticContact CD1-CG 3.89Å; F30-Y89 HydrophobicContact CD1-CG 3.89Å; F30-Y89 AromaticContact CD1-CZ 3.85Å; F30-Y89 AromaticContact CE1-CD1 3.76Å; F30-Y89 HydrophobicContact CE1-CD1 3.76Å; F30-Y89 HydrophobicContact CE1-CD2 4.11Å; F30-Y89 HydrophobicContact CE1-CE1 4.21Å; F30-Y89 AromaticContact CE1-CG 3.67Å; F30-Y89 HydrophobicContact CE1-CG 3.67Å; F30-W94 AromaticContact CE2-CH2 3.95Å; F30-W94 HydrophobicContact CE2-CH2 3.95Å; F30-W94 AromaticContact CE2-CZ3 3.85Å; F30-W94 HydrophobicContact CE2-CZ3 3.85Å; F30-W94 AromaticContact CZ-CH2 3.92Å; F30-W94 HydrophobicContact CZ-CH2 3.92Å; F30-W94 HydrophobicContact CZ-CZ3 4.04Å
31S90.5Very high90.3Very high51 Ų5135.9 Ų35.936%0.35719%0.187SC..Hα-helixtrans-49.1-40.3-17549.40000113.8R27 S28 F29 F33 T34 E35R27-S31 VanDerWaalsContact O-CA 3.31Å; R27-S31 WeakPolarHBondContact O-CA 3.29Å; R27-S31 PolarHBondContact O-N 3.44Å; S28-S31 WeakPolarHBondContact O-CB 3.35Å; S28-S31 PolarHBondContact O-N 3.11Å; S28-S31 PolarHBondContact O-OG 2.92Å; F29-S31 PolarHBondContact O-N 2.84Å; S31-F33 VanDerWaalsContact C-N 3.32Å; S31-F33 PolarHBondContact O-N 3.19Å; S31-T34 VanDerWaalsContact CA-OG1 3.29Å; S31-T34 WeakPolarHBondContact CA-OG1 3.38Å; S31-T34 PolarHBondContact O-OG1 3.14Å; S31-E35 WeakPolarHBondContact O-CB 3.28Å; S31-E35 VanDerWaalsContact O-CG 3.32Å; S31-E35 WeakPolarHBondContact O-CG 3.19Å; S31-E35 PolarHBondContact O-N 3.41Å
32T91.6Very high90.3Very high73 Ų7335.9 Ų35.945%0.44819%0.187SC..Hα-helixtrans-63.5-35.7179.870.20000112.8F30 S36 Y89F30-T32 PolarHBondContact O-N 2.94Å; F30-T32 VanDerWaalsContact O-N 3.08Å; T32-S36 WeakPolarHBondContact O-CB 3.41Å; T32-S36 PolarHBondContact O-OG 2.81Å; T32-Y89 PolarHBondContact OG1-OH 3.08Å
33F91.4Very high90.3Very high7 Ų732 Ų323%0.03117%0.169CC..Hα-helixtrans-87.8-36.4179.4-87.8-112.6000113F30 S31 N37 R38 F39 N81 K84 L85 Y89F30-F33 PolarHBondContact O-N 2.93Å; S31-F33 VanDerWaalsContact C-N 3.32Å; S31-F33 PolarHBondContact O-N 3.19Å; F33-N37 PolarHBondContact O-N 3.13Å; F33-R38 HydrophobicContact CB-CB 4.48Å; F33-R38 HydrophobicContact CD1-CB 3.73Å; F33-R38 HydrophobicContact CD1-CG 4.35Å; F33-R38 HydrophobicContact CE1-CB 4.38Å; F33-R38 HydrophobicContact CG-CB 4.38Å; F33-R38 PolarHBondContact O-N 3.06Å; F33-R38 VanDerWaalsContact O-N 3.08Å; F33-F39 HydrophobicContact CB-CD2 4.11Å; F33-F39 HydrophobicContact CB-CE1 4.44Å; F33-F39 HydrophobicContact CB-CE2 3.37Å; F33-F39 HydrophobicContact CB-CZ 3.57Å; F33-F39 HydrophobicContact CD1-CE1 4.32Å; F33-F39 HydrophobicContact CD1-CZ 4.17Å; F33-F39 HydrophobicContact CG-CE2 4.39Å; F33-F39 HydrophobicContact CG-CZ 4.15Å; F33-N81 HydrophobicContact CE1-CB 4.38Å; F33-N81 WeakPolarHBondContact CE1-O 3.45Å; F33-K84 HydrophobicContact CZ-CB 3.88Å; F33-L85 HydrophobicContact CD1-CB 4.47Å; F33-L85 HydrophobicContact CD1-CD1 3.73Å; F33-L85 HydrophobicContact CD2-CD1 4.16Å; F33-L85 HydrophobicContact CE1-CB 3.76Å; F33-L85 HydrophobicContact CE1-CD1 3.81Å; F33-L85 HydrophobicContact CE1-CG 4.41Å; F33-L85 HydrophobicContact CE2-CD1 4.2Å; F33-L85 HydrophobicContact CG-CD1 3.91Å; F33-L85 VanDerWaalsContact CZ-CA 3.49Å; F33-L85 HydrophobicContact CZ-CB 3.9Å; F33-L85 HydrophobicContact CZ-CD1 4.04Å; F33-Y89 HydrophobicContact CD2-CD2 4.32Å; F33-Y89 AromaticContact CD2-CE2 3.49Å; F33-Y89 HydrophobicContact CD2-CE2 3.49Å; F33-Y89 VanDerWaalsContact CD2-CE2 3.49Å; F33-Y89 HydrophobicContact CE2-CD2 4.19Å; F33-Y89 AromaticContact CE2-CE2 3.68Å; F33-Y89 HydrophobicContact CE2-CE2 3.68Å; F33-Y89 HydrophobicContact CG-CE2 4.42Å
34T90.4Very high90.4Very high1 Ų131.1 Ų31.11%0.00616%0.163CC..Hα-helixtrans-67.8-47.617955.90000110.5F30 S31 S36 N37 F39 V134 P137F30-T34 HydrophobicContact CB-CG2 4.07Å; F30-T34 WeakPolarHBondContact O-CG2 3.44Å; F30-T34 PolarHBondContact O-N 3.08Å; F30-T34 PolarHBondContact O-OG1 3.1Å; S31-T34 VanDerWaalsContact CA-OG1 3.29Å; S31-T34 WeakPolarHBondContact CA-OG1 3.38Å; S31-T34 PolarHBondContact O-OG1 3.14Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 2.97Å; T34-N37 PolarHBondContact O-N 3.14Å; T34-N37 VanDerWaalsContact O-N 3.15Å; T34-F39 HydrophobicContact CG2-CD2 3.97Å; T34-F39 HydrophobicContact CG2-CE2 3.77Å; T34-V134 HydrophobicContact CG2-CG1 4.02Å; T34-V134 WeakPolarHBondContact CG2-O 3.41Å; T34-P137 WeakPolarHBondContact O-CB 3.42Å
35E91Very high90.1Very high94 Ų9429.7 Ų29.744%0.43916%0.159SC..Hα-helixtrans-71-29.2-179.4-61.9-53.5154.700113.2S31 N37 T138S31-E35 WeakPolarHBondContact O-CB 3.28Å; S31-E35 VanDerWaalsContact O-CG 3.32Å; S31-E35 WeakPolarHBondContact O-CG 3.19Å; S31-E35 PolarHBondContact O-N 3.41Å; E35-N37 PolarHBondContact O-N 3.01Å; E35-T138 WeakPolarHBondContact OE1-CB 3.49Å; E35-T138 PolarHBondContact OE1-OG1 3.4Å; E35-T138 WeakPolarHBondContact OE2-CB 3.35Å; E35-T138 PolarHBondContact OE2-N 2.84Å
36S90.5Very high89.9Confident45 Ų4532.6 Ų32.632%0.31517%0.172SC..THydrogen-bonded Turntrans-83.87.9174.3640000114T32 T34 R38T32-S36 WeakPolarHBondContact O-CB 3.41Å; T32-S36 PolarHBondContact O-OG 2.81Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-S36 PolarHBondContact O-N 2.97Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.96Å; S36-R38 PolarHBondContact O-NE 3.45Å; S36-R38 WeakPolarHBondContact OG-CG 3.13Å
37N88.9Confident89.7Confident48 Ų4838.2 Ų38.226%0.25719%0.193SC..THydrogen-bonded Turntrans50.746.9177.2-162.742.9000113.3F33 T34 E35F33-N37 PolarHBondContact O-N 3.13Å; T34-N37 PolarHBondContact O-N 3.14Å; T34-N37 VanDerWaalsContact O-N 3.15Å; E35-N37 PolarHBondContact O-N 3.01Å
38R88.9Confident89.4Confident98 Ų9842 Ų4237%0.3722%0.22SC..  trans-91.6-18.5-176.1-61.7-68167.670.70.7113.7F33 S36 N81F33-R38 HydrophobicContact CB-CB 4.48Å; F33-R38 HydrophobicContact CD1-CB 3.73Å; F33-R38 HydrophobicContact CD1-CG 4.35Å; F33-R38 HydrophobicContact CE1-CB 4.38Å; F33-R38 HydrophobicContact CG-CB 4.38Å; F33-R38 PolarHBondContact O-N 3.06Å; F33-R38 VanDerWaalsContact O-N 3.08Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.96Å; S36-R38 PolarHBondContact O-NE 3.45Å; S36-R38 WeakPolarHBondContact OG-CG 3.13Å; R38-N81 HydrophobicContact CB-CB 4.48Å; R38-N81 PolarHBondContact O-ND2 3.36Å; R38-N81 VanDerWaalsContact O-ND2 3.1Å
39F89.6Confident88.9Confident2 Ų241.3 Ų41.31%0.00921%0.211CC..EExtended strand (participates in β ladder)trans-82.5135.1174.1-63.6-60.5000110.1F30 F33 T34 F42 V75 L77 L85F30-F39 HydrophobicContact CB-CE2 4.13Å; F30-F39 HydrophobicContact CB-CZ 4.32Å; F30-F39 HydrophobicContact CD1-CZ 4.44Å; F30-F39 HydrophobicContact CG-CZ 4.43Å; F33-F39 HydrophobicContact CB-CD2 4.11Å; F33-F39 HydrophobicContact CB-CE1 4.44Å; F33-F39 HydrophobicContact CB-CE2 3.37Å; F33-F39 HydrophobicContact CB-CZ 3.57Å; F33-F39 HydrophobicContact CD1-CE1 4.32Å; F33-F39 HydrophobicContact CD1-CZ 4.17Å; F33-F39 HydrophobicContact CG-CE2 4.39Å; F33-F39 HydrophobicContact CG-CZ 4.15Å; T34-F39 HydrophobicContact CG2-CD2 3.97Å; T34-F39 HydrophobicContact CG2-CE2 3.77Å; F39-F42 HydrophobicContact CB-CB 4.37Å; F39-F42 HydrophobicContact CD2-CD1 4.44Å; F39-F42 HydrophobicContact CE2-CD1 4.27Å; F39-F42 HydrophobicContact CG-CB 4.29Å; F39-F42 HydrophobicContact CZ-CD1 4.37Å; F39-V75 HydrophobicContact CD1-CG1 3.44Å; F39-V75 VanDerWaalsContact CD1-CG1 3.44Å; F39-V75 HydrophobicContact CE1-CG1 3.65Å; F39-V75 HydrophobicContact CG-CG1 4.42Å; F39-L77 HydrophobicContact CD1-CB 4.46Å; F39-L77 HydrophobicContact CD1-CD2 4.44Å; F39-L85 HydrophobicContact CE1-CD1 3.95Å; F39-L85 HydrophobicContact CE1-CD2 4.1Å; F39-L85 HydrophobicContact CZ-CD1 3.81Å
40Q87.1Confident88.1Confident35 Ų3547.1 Ų47.116%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-85.3-41170.1-171.1-178.110.600110.3S9 K76S9-Q40 PolarHBondContact OG-OE1 3.32Å; S9-Q40 VanDerWaalsContact OG-OE1 3.14Å; Q40-K76 HydrophobicContact CB-CD 4.47Å; Q40-K76 HydrophobicContact CB-CG 4.28Å; Q40-K76 WeakPolarHBondContact CB-O 3.28Å; Q40-K76 HydrophobicContact CG-CD 4.23Å; Q40-K76 PolarHBondContact N-O 3.43Å
41C88Confident86.7Confident8 Ų853.4 Ų53.45%0.05427%0.271CS..EExtended strand (participates in β ladder)trans-150.9127.5168.6-173.90000110.2K76 L123 W131C41-K76 HydrophobicContact CB-CB 4.06Å; C41-K76 PolarHBondContact N-O 3.13Å; C41-K76 PolarHBondContact O-N 3.17Å; C41-L123 HydrophobicContact CB-CD2 4.32Å; C41-W131 WeakPolarHBondContact CA-O 3.34Å
42F91Very high85.3Confident1 Ų159 Ų590%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-141.4103169.7-174.4-161.3000110.2L26 F30 F39 A73 V75 W131 G132 N133 V134 G135L26-F42 HydrophobicContact CD1-CZ 4.24Å; F30-F42 AromaticContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CE1 3.78Å; F30-F42 HydrophobicContact CD2-CZ 4.43Å; F30-F42 HydrophobicContact CE2-CE1 4.02Å; F30-F42 HydrophobicContact CE2-CZ 4.25Å; F39-F42 HydrophobicContact CB-CB 4.37Å; F39-F42 HydrophobicContact CD2-CD1 4.44Å; F39-F42 HydrophobicContact CE2-CD1 4.27Å; F39-F42 HydrophobicContact CG-CB 4.29Å; F39-F42 HydrophobicContact CZ-CD1 4.37Å; F42-A73 HydrophobicContact CE2-CB 3.83Å; F42-V75 HydrophobicContact CB-CG1 3.98Å; F42-V75 HydrophobicContact CD2-CB 4.44Å; F42-V75 HydrophobicContact CD2-CG1 4.31Å; F42-V75 HydrophobicContact CD2-CG2 3.64Å; F42-V75 HydrophobicContact CE2-CG2 3.74Å; F42-V75 HydrophobicContact CG-CG1 4.05Å; F42-V75 HydrophobicContact CG-CG2 4.12Å; F42-V75 HydrophobicContact CZ-CG2 4.27Å; F42-W131 PolarHBondContact N-O 2.76Å; F42-G132 CarbonylContact O-C 3.47Å; F42-G132 WeakPolarHBondContact O-CA 3.44Å; F42-N133 PolarHBondContact O-N 2.75Å; F42-V134 HydrophobicContact CD1-CB 3.49Å; F42-V134 VanDerWaalsContact CD1-CB 3.49Å; F42-V134 HydrophobicContact CD1-CG1 3.38Å; F42-V134 HydrophobicContact CD1-CG2 4.44Å; F42-V134 HydrophobicContact CE1-CB 3.73Å; F42-V134 HydrophobicContact CE1-CG1 3.35Å; F42-V134 HydrophobicContact CE1-CG2 4.29Å; F42-V134 HydrophobicContact CG-CB 3.96Å; F42-V134 HydrophobicContact CG-CG1 4.33Å; F42-V134 HydrophobicContact CZ-CB 4.38Å; F42-V134 HydrophobicContact CZ-CG1 4.29Å; F42-V134 PolarHBondContact O-N 3Å; F42-G135 PolarHBondContact O-N 2.9Å
43H90.4Very high83Confident18 Ų1859.5 Ų59.58%0.08331%0.308CS..  trans-124.6119.5-179.9-169.883.9000109.9L45 E122 P125 N133H43-L45 VanDerWaalsContact CD2-CD2 3.5Å; H43-L45 WeakPolarHBondContact CD2-CD2 3.22Å; H43-L45 VanDerWaalsContact NE2-CD2 3.29Å; H43-L45 WeakPolarHBondContact NE2-CD2 3.26Å; H43-E122 VanDerWaalsContact CB-O 3.25Å; H43-E122 WeakPolarHBondContact CB-O 3.35Å; H43-P125 HydrophobicContact CB-CB 4.42Å; H43-N133 PolarHBondContact CE1-ND2 3.03Å; H43-N133 PolarHBondContact CE1-OD1 3.16Å; H43-N133 PolarHBondContact ND1-N 3.32Å; H43-N133 PolarHBondContact ND1-OD1 3.11Å; H43-N133 VanDerWaalsContact ND1-OD1 3.11Å
44F90.9Very high80.8Confident4 Ų464.7 Ų64.72%0.01834%0.342CS..  trans-94.4123.9-176.3-179.2-121.3000111.1I17 L26 H46 C71 A73 V134I17-F44 HydrophobicContact CD1-CD2 4.25Å; I17-F44 HydrophobicContact CD1-CE2 3.8Å; I17-F44 HydrophobicContact CG2-CE2 4.18Å; I17-F44 HydrophobicContact CG2-CZ 3.93Å; L26-F44 HydrophobicContact CD1-CB 3.9Å; L26-F44 HydrophobicContact CD1-CD1 3.74Å; L26-F44 HydrophobicContact CD1-CD2 3.78Å; L26-F44 HydrophobicContact CD1-CE1 4.15Å; L26-F44 HydrophobicContact CD1-CE2 4.2Å; L26-F44 HydrophobicContact CD1-CG 3.52Å; L26-F44 HydrophobicContact CD1-CZ 4.37Å; F44-H46 AromaticContact CD1-CD2 3.75Å; F44-H46 AromaticContact CD1-NE2 3.91Å; F44-H46 HydrophobicContact CE1-CB 4.49Å; F44-H46 AromaticContact CE1-CD2 3.34Å; F44-H46 WeakPolarHBondContact CE1-CD2 3.43Å; F44-H46 AromaticContact CE1-CE1 3.69Å; F44-H46 AromaticContact CE1-CG 3.63Å; F44-H46 AromaticContact CE1-ND1 3.83Å; F44-H46 AromaticContact CE1-NE2 3.39Å; F44-H46 WeakPolarHBondContact CE1-NE2 3.44Å; F44-H46 HydrophobicContact CZ-CB 4.43Å; F44-H46 AromaticContact CZ-CG 3.94Å; F44-C71 HydrophobicContact CE2-CB 4.04Å; F44-C71 HydrophobicContact CZ-CB 4Å; F44-A73 HydrophobicContact CD2-CB 3.8Å; F44-A73 HydrophobicContact CE2-CB 4.35Å; F44-V134 HydrophobicContact CB-CG2 4.23Å
45L84Confident78.2Confident54 Ų5469.5 Ų69.528%0.28338%0.376SS..  trans-115.119.7-178.4-69.5-176000114.7H43 R47 R121 E122H43-L45 VanDerWaalsContact CD2-CD2 3.5Å; H43-L45 WeakPolarHBondContact CD2-CD2 3.22Å; H43-L45 VanDerWaalsContact NE2-CD2 3.29Å; H43-L45 WeakPolarHBondContact NE2-CD2 3.26Å; L45-R47 PolarHBondContact O-N 3.2Å; L45-R47 VanDerWaalsContact O-N 3.14Å; L45-R121 HydrophobicContact CD1-CB 4.04Å; L45-R121 HydrophobicContact CD1-CG 3.89Å; L45-E122 HydrophobicContact CB-CG 4.19Å; L45-E122 HydrophobicContact CD1-CG 3.66Å; L45-E122 HydrophobicContact CG-CG 3.97Å
46H87.4Confident75.9Confident72 Ų7272 Ų7233%0.33339%0.392SS..  trans4840.1-176.1-72-107.2000112.8Y21 H22 F44 P48Y21-H46 PolarHBondContact O-CE1 2.68Å; H22-H46 AromaticContact CD2-NE2 3.84Å; F44-H46 AromaticContact CD1-CD2 3.75Å; F44-H46 AromaticContact CD1-NE2 3.91Å; F44-H46 HydrophobicContact CE1-CB 4.49Å; F44-H46 AromaticContact CE1-CD2 3.34Å; F44-H46 WeakPolarHBondContact CE1-CD2 3.43Å; F44-H46 AromaticContact CE1-CE1 3.69Å; F44-H46 AromaticContact CE1-CG 3.63Å; F44-H46 AromaticContact CE1-ND1 3.83Å; F44-H46 AromaticContact CE1-NE2 3.39Å; F44-H46 WeakPolarHBondContact CE1-NE2 3.44Å; F44-H46 HydrophobicContact CZ-CB 4.43Å; F44-H46 AromaticContact CZ-CG 3.94Å; H46-P48 WeakPolarHBondContact O-CD 3.26Å
47R86.2Confident73.3Confident118 Ų11874.4 Ų74.445%0.44542%0.424SS..EExtended strand (participates in β ladder)trans-69.3122.9176.2176.1-176.8-82.9-103.3-2.8108.5L45 C71 C72 E122L45-R47 PolarHBondContact O-N 3.2Å; L45-R47 VanDerWaalsContact O-N 3.14Å; R47-C71 CarbonylContact O-C 3.33Å; R47-C71 WeakPolarHBondContact O-CA 3.37Å; R47-C71 WeakPolarHBondContact O-CB 3.32Å; R47-C72 PolarHBondContact O-N 3Å; R47-E122 WeakPolarHBondContact CD-OE1 3.13Å; R47-E122 IonicContact CZ-OE1 3.99Å; R47-E122 IonicContact NE-OE1 2.8Å; R47-E122 PolarHBondContact NE-OE1 2.92Å
48P85.5Confident70.6Confident97 Ų9776.1 Ų76.163%0.6344%0.44SS*.EExtended strand (participates in β ladder)trans-67.8141.4177.427.9-33.4000110.8H46 T70H46-P48 WeakPolarHBondContact O-CD 3.26Å; P48-T70 WeakPolarHBondContact CA-O 3.33Å
49E79.9Confident68Low32 Ų3277.4 Ų77.415%0.1546%0.464CS..PPolyproline II helixtrans-86.4123176.3-172.6-170.2165.300109.6H15 N16 R51 T70 C72H15-E49 IonicContact CD2-OE1 3.96Å; N16-E49 WeakPolarHBondContact CA-OE2 3.45Å; N16-E49 PolarHBondContact N-OE2 3.25Å; E49-R51 HydrophobicContact CG-CG 4.21Å; E49-R51 WeakPolarHBondContact OE1-CG 3.33Å; E49-R51 IonicContact OE1-CZ 3.87Å; E49-R51 IonicContact OE1-NE 3.48Å; E49-R51 PolarHBondContact OE1-NE 2.78Å; E49-R51 IonicContact OE1-NH2 3.28Å; E49-R51 PolarHBondContact OE1-NH2 2.73Å; E49-R51 IonicContact OE2-CZ 2.71Å; E49-R51 IonicContact OE2-NE 3.32Å; E49-R51 IonicContact OE2-NH2 3Å; E49-R51 PolarHBondContact OE2-NH2 3.46Å; E49-T70 PolarHBondContact N-O 2.82Å; E49-T70 WeakPolarHBondContact OE2-CB 3.48Å; E49-T70 PolarHBondContact OE2-OG1 2.99Å; E49-C72 HydrophobicContact CB-CB 4.18Å; E49-C72 HydrophobicContact CG-CB 4.32Å
50T74.5Confident65.3Low130 Ų13081.6 Ų81.680%0.79849%0.489SS*.  trans-94.8101.4167.951.60000108.7L52T50-L52 PolarHBondContact O-N 3.41Å
51R63.5Low63Low133 Ų13386 Ų8650%0.50252%0.522SS..  trans-76.9119.7171.6-69.8-172.7178.5157.813.8109N16 E49 A53N16-R51 VanDerWaalsContact CB-NH2 3.28Å; N16-R51 PolarHBondContact OD1-NH2 3.49Å; E49-R51 HydrophobicContact CG-CG 4.21Å; E49-R51 WeakPolarHBondContact OE1-CG 3.33Å; E49-R51 IonicContact OE1-CZ 3.87Å; E49-R51 IonicContact OE1-NE 3.48Å; E49-R51 PolarHBondContact OE1-NE 2.78Å; E49-R51 IonicContact OE1-NH2 3.28Å; E49-R51 PolarHBondContact OE1-NH2 2.73Å; E49-R51 IonicContact OE2-CZ 2.71Å; E49-R51 IonicContact OE2-NE 3.32Å; E49-R51 IonicContact OE2-NH2 3Å; E49-R51 PolarHBondContact OE2-NH2 3.46Å; R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.62Å
52L59.7Low60.6Low169 Ų16989 Ų8989%0.88554%0.542SS*.  trans-6997163.1-65.8170.8000106.3T50T50-L52 PolarHBondContact O-N 3.41Å
53A45.1Very low58.2Low83 Ų8397.8 Ų97.869%0.68658%0.583SS**  trans-56.9128.7167.300000107.7R51 S55R51-A53 VanDerWaalsContact C-N 3.32Å; R51-A53 PolarHBondContact O-N 2.62Å; A53-S55 PolarHBondContact O-N 2.78Å
54P43.9Very low56Low117 Ų117102.6 Ų102.676%0.7661%0.609SS**SBendtrans-68.5117.8175.627.8-30.2000108
55S36.3Very low53.7Low101 Ų101110.1 Ų110.171%0.70665%0.648SS**SBendtrans51.6107.8177.258.90000114.6A53A53-S55 PolarHBondContact O-N 2.78Å
56D42.6Very low52Low148 Ų148113.5 Ų113.579%0.79168%0.675SS**  -154.2142.573.5-74.9-42.4000111.1S58D56-S58 PolarHBondContact O-N 3.36Å
57G36.1Very low50.5Low95 Ų95114.7 Ų114.798%0.97969%0.692SS**  trans-63.792.5174.900000111.4
58S31.4Very low49.4Very low83 Ų83112.8 Ų112.858%0.5869%0.694SS**  trans-141.7103.9158.1-172.60000108.7D56 T60D56-S58 PolarHBondContact O-N 3.36Å; S58-T60 PolarHBondContact O-N 3.19Å; S58-T60 PolarHBondContact OG-OG1 2.82Å
59S34.7Very low49.1Very low126 Ų126116.4 Ų116.488%0.88170%0.7SS**  trans-67.773.8165.552.90000108.9
60T34.2Very low49.4Very low89 Ų89115.5 Ų115.555%0.54670%0.697SS.*  trans-131.6122.4160.850.10000107.3S58 S62S58-T60 PolarHBondContact O-N 3.19Å; S58-T60 PolarHBondContact OG-OG1 2.82Å; T60-S62 PolarHBondContact O-N 3.32Å
61P38.2Very low50.1Low129 Ų129109.7 Ų109.784%0.83866%0.661SS**  trans-73.972.416931.7-30.3000106.3Q63P61-Q63 PolarHBondContact O-N 3.48Å
62S37.8Very low51.2Low69 Ų69104.3 Ų104.348%0.48364%0.644SS.*  trans-62.1115.4169.755.20000105.9T60 D64T60-S62 PolarHBondContact O-N 3.32Å; S62-D64 WeakPolarHBondContact CB-OD2 3.28Å; S62-D64 PolarHBondContact O-N 2.88Å; S62-D64 PolarHBondContact OG-OD2 2.85Å
63Q40.8Very low52.6Low187 Ų18796.3 Ų96.387%0.87460%0.602SS**  trans-70.259.8172.4-67-178.2-12.700108.2P61 I65P61-Q63 PolarHBondContact O-N 3.48Å; Q63-I65 VanDerWaalsContact C-N 3.3Å; Q63-I65 PolarHBondContact O-N 2.68Å
64D43.3Very low54.7Low118 Ų11892.9 Ų92.963%0.63157%0.572SS**  trans-77.291.1178.7-71-34.2000107.7S62 C66S62-D64 WeakPolarHBondContact CB-OD2 3.28Å; S62-D64 PolarHBondContact O-N 2.88Å; S62-D64 PolarHBondContact OG-OD2 2.85Å; D64-C66 PolarHBondContact O-N 3.34Å
65I43.6Very low56.9Low163 Ų16387.3 Ų87.384%0.83654%0.537SS*.THydrogen-bonded Turntrans9.5104138.5-56.2170.4000112.5Q63Q63-I65 VanDerWaalsContact C-N 3.3Å; Q63-I65 PolarHBondContact O-N 2.68Å
66C47.8Very low59.4Low124 Ų12484.6 Ų84.684%0.83851%0.512SS*.THydrogen-bonded Turntrans80.733.6153-123.10000119.6D64D64-C66 PolarHBondContact O-N 3.34Å
67S55Low61.6Low98 Ų9877.5 Ų77.569%0.68547%0.474SS*.  trans-81.3127.5147.263.30000109.1K69S67-K69 PolarHBondContact O-N 3.08Å
68P62.8Low64.2Low77 Ų7774 Ų7450%0.543%0.434SS..  trans-64126.217725.4-31.5000108.3T70 L104P68-T70 PolarHBondContact O-N 2.93Å; P68-L104 HydrophobicContact CB-CD1 4.36Å; P68-L104 HydrophobicContact CG-CD1 4.12Å; P68-L104 HydrophobicContact CG-CD2 4.14Å
69K79Confident66.8Low174 Ų17474 Ų7476%0.75743%0.425SS*.  trans-59.2113.5173-65.7179.6-178.4178.50107.7S19 S67S19-K69 WeakPolarHBondContact CB-O 3.39Å; S19-K69 PolarHBondContact N-O 3.49Å; S19-K69 VanDerWaalsContact N-O 3.15Å; S19-K69 PolarHBondContact OG-O 2.86Å; S67-K69 PolarHBondContact O-N 3.08Å
70T86.6Confident69.4Low13 Ų1374 Ų748%0.0841%0.414CS..EExtended strand (participates in β ladder)trans-98.6154.5175.756.90000110.3N16 I17 P48 E49 P68 L104N16-T70 VanDerWaalsContact OD1-CG2 3.28Å; N16-T70 WeakPolarHBondContact OD1-CG2 2.98Å; I17-T70 CarbonylContact O-C 3.55Å; I17-T70 VanDerWaalsContact O-CA 3.3Å; I17-T70 WeakPolarHBondContact O-CA 3.5Å; P48-T70 WeakPolarHBondContact CA-O 3.33Å; E49-T70 PolarHBondContact N-O 2.82Å; E49-T70 WeakPolarHBondContact OE2-CB 3.48Å; E49-T70 PolarHBondContact OE2-OG1 2.99Å; P68-T70 PolarHBondContact O-N 2.93Å; T70-L104 HydrophobicContact CG2-CD1 3.81Å
71C89.2Confident72Confident8 Ų870.6 Ų70.65%0.05439%0.392CS..EExtended strand (participates in β ladder)trans-111.9155.8173.8-65.60000110.1I17 F44 R47I17-C71 HydrophobicContact CB-CB 4.16Å; I17-C71 WeakPolarHBondContact CB-O 3.48Å; I17-C71 PolarHBondContact N-O 2.76Å; I17-C71 PolarHBondContact O-N 3.23Å; F44-C71 HydrophobicContact CE2-CB 4.04Å; F44-C71 HydrophobicContact CZ-CB 4Å; R47-C71 CarbonylContact O-C 3.33Å; R47-C71 WeakPolarHBondContact O-CA 3.37Å; R47-C71 WeakPolarHBondContact O-CB 3.32Å
72C87.4Confident74.5Confident20 Ų2066.1 Ų66.114%0.13536%0.359CS..EExtended strand (participates in β ladder)trans-120.6158.9170.862.70000110.7V13 V14 R47 E49V13-C72 HydrophobicContact CG1-CB 4.49Å; V14-C72 CarbonylContact O-C 3.55Å; V14-C72 VanDerWaalsContact O-CA 3.26Å; V14-C72 WeakPolarHBondContact O-CA 3.47Å; R47-C72 PolarHBondContact O-N 3Å; E49-C72 HydrophobicContact CB-CB 4.18Å; E49-C72 HydrophobicContact CG-CB 4.32Å
73A87.9Confident76.9Confident0 Ų064.7 Ų64.70%035%0.345CS..EExtended strand (participates in β ladder)trans-147.9138177.900000111V14 I17 F42 F44V14-A73 PolarHBondContact N-O 3.02Å; V14-A73 PolarHBondContact O-N 2.91Å; I17-A73 HydrophobicContact CD1-CB 3.84Å; F42-A73 HydrophobicContact CE2-CB 3.83Å; F44-A73 HydrophobicContact CD2-CB 3.8Å; F44-A73 HydrophobicContact CE2-CB 4.35Å
74V89.6Confident79.3Confident11 Ų1160.4 Ų60.47%0.06732%0.324CS..EExtended strand (participates in β ladder)trans-90.5139.2174.9-174.50000110.6Y11 V13 V117 L120 E122Y11-V74 HydrophobicContact CD1-CG1 4.43Å; V13-V74 HydrophobicContact CG2-CG2 4.15Å; V74-V117 HydrophobicContact CG1-CG1 3.36Å; V74-L120 HydrophobicContact CG2-CD1 3.76Å; V74-E122 PolarHBondContact N-OE2 2.87Å
75V90Very high81.6Confident1 Ų154.9 Ų54.91%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-126.3133.6-179.5-164.50000110.3Y11 A12 V14 F39 F42 L77Y11-V75 WeakPolarHBondContact CA-O 3.35Å; A12-V75 PolarHBondContact N-O 2.99Å; A12-V75 PolarHBondContact O-N 3.32Å; V14-V75 HydrophobicContact CG2-CG2 3.69Å; F39-V75 HydrophobicContact CD1-CG1 3.44Å; F39-V75 VanDerWaalsContact CD1-CG1 3.44Å; F39-V75 HydrophobicContact CE1-CG1 3.65Å; F39-V75 HydrophobicContact CG-CG1 4.42Å; F42-V75 HydrophobicContact CB-CG1 3.98Å; F42-V75 HydrophobicContact CD2-CB 4.44Å; F42-V75 HydrophobicContact CD2-CG1 4.31Å; F42-V75 HydrophobicContact CD2-CG2 3.64Å; F42-V75 HydrophobicContact CE2-CG2 3.74Å; F42-V75 HydrophobicContact CG-CG1 4.05Å; F42-V75 HydrophobicContact CG-CG2 4.12Å; F42-V75 HydrophobicContact CZ-CG2 4.27Å; V75-L77 HydrophobicContact CB-CD2 3.81Å; V75-L77 HydrophobicContact CG1-CD2 3.43Å; V75-L77 VanDerWaalsContact CG1-CD2 3.43Å
76K89.7Confident83.8Confident43 Ų4348.3 Ų48.319%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-105.6126.4172.7-169.8-173.7-172.1-169.90110.4S9 Y11 Q40 C41 L123S9-K76 VanDerWaalsContact CB-CE 3.43Å; S9-K76 VanDerWaalsContact OG-CE 3.28Å; S9-K76 WeakPolarHBondContact OG-CE 3.47Å; Y11-K76 HydrophobicContact CD1-CB 4.09Å; Y11-K76 HydrophobicContact CD1-CG 4.15Å; Y11-K76 HydrophobicContact CE1-CB 3.89Å; Y11-K76 HydrophobicContact CE1-CD 3.99Å; Y11-K76 HydrophobicContact CE1-CG 3.64Å; Q40-K76 HydrophobicContact CB-CD 4.47Å; Q40-K76 HydrophobicContact CB-CG 4.28Å; Q40-K76 WeakPolarHBondContact CB-O 3.28Å; Q40-K76 HydrophobicContact CG-CD 4.23Å; Q40-K76 PolarHBondContact N-O 3.43Å; C41-K76 HydrophobicContact CB-CB 4.06Å; C41-K76 PolarHBondContact N-O 3.13Å; C41-K76 PolarHBondContact O-N 3.17Å; K76-L123 HydrophobicContact CB-CD2 3.83Å
77L89.6Confident85.8Confident0 Ų049.8 Ų49.80%026%0.257CS..EExtended strand (participates in β ladder)trans-160.9174.2-178.656.2146.8000111.6C10 A12 F39 V75 N81 R82 L85C10-L77 CarbonylContact C-O 3.51Å; C10-L77 WeakPolarHBondContact CA-O 3.41Å; C10-L77 WeakPolarHBondContact CB-O 3.5Å; C10-L77 PolarHBondContact N-O 3.23Å; C10-L77 PolarHBondContact O-N 3.46Å; A12-L77 HydrophobicContact CB-CD2 4.3Å; F39-L77 HydrophobicContact CD1-CB 4.46Å; F39-L77 HydrophobicContact CD1-CD2 4.44Å; V75-L77 HydrophobicContact CB-CD2 3.81Å; V75-L77 HydrophobicContact CG1-CD2 3.43Å; V75-L77 VanDerWaalsContact CG1-CD2 3.43Å; L77-N81 VanDerWaalsContact CD1-C 3.46Å; L77-N81 HydrophobicContact CD1-CB 3.87Å; L77-R82 HydrophobicContact CD1-CB 3.67Å; L77-R82 VanDerWaalsContact CD1-N 3.27Å; L77-R82 HydrophobicContact CG-CB 4.21Å; L77-L85 HydrophobicContact CD1-CD2 4.3Å; L77-L85 HydrophobicContact CD2-CD2 4.45Å
78T90.3Very high87.4Confident22 Ų2250.3 Ų50.314%0.13525%0.248CC..EExtended strand (participates in β ladder)trans-75.4157177.6630000112.6I4 D8 L80 N81 R82I4-T78 HydrophobicContact CG2-CG2 3.34Å; D8-T78 WeakPolarHBondContact O-CA 3.37Å; T78-L80 VanDerWaalsContact C-N 3.32Å; T78-L80 PolarHBondContact O-N 3.44Å; T78-N81 PolarHBondContact O-N 3.02Å; T78-N81 VanDerWaalsContact O-N 3.14Å; T78-N81 WeakPolarHBondContact OG1-CB 3.48Å; T78-N81 PolarHBondContact OG1-N 2.92Å; T78-N81 PolarHBondContact OG1-ND2 2.92Å; T78-N81 VanDerWaalsContact OG1-ND2 3.09Å; T78-R82 PolarHBondContact O-N 2.98Å
79H85.8Confident88.8Confident83 Ų8346.8 Ų46.838%0.38423%0.225SC..Hα-helixtrans-52.7-47.3177.3-172.4-74.1000112.8D8 N81 R82 D83D8-H79 PolarHBondContact O-N 2.78Å; H79-N81 VanDerWaalsContact C-N 3.33Å; H79-N81 PolarHBondContact O-N 3.48Å; H79-R82 PolarHBondContact CD2-NH2 3.26Å; H79-R82 PolarHBondContact NE2-NH1 3.08Å; H79-R82 PolarHBondContact NE2-NH2 3.26Å; H79-R82 WeakPolarHBondContact O-CB 3.29Å; H79-R82 PolarHBondContact O-N 3.12Å; H79-R82 VanDerWaalsContact O-N 3.1Å; H79-D83 IonicContact CE1-OD2 3.13Å; H79-D83 PolarHBondContact CE1-OD2 2.77Å; H79-D83 IonicContact ND1-OD2 3.7Å; H79-D83 PolarHBondContact ND1-OD2 2.89Å; H79-D83 IonicContact NE2-OD2 3.58Å; H79-D83 PolarHBondContact O-N 3.08Å
80L88.6Confident89.4Confident125 Ų12542.2 Ų42.265%0.65421%0.209SC*.Hα-helixtrans-62.7-39179.9-62.3177000112.6T78 R82 K84T78-L80 VanDerWaalsContact C-N 3.32Å; T78-L80 PolarHBondContact O-N 3.44Å; L80-R82 VanDerWaalsContact C-N 3.3Å; L80-K84 WeakPolarHBondContact O-CG 3.31Å; L80-K84 PolarHBondContact O-N 3.38Å
81N89.9Confident89.4Confident17 Ų1743.7 Ų43.79%0.09123%0.226CC..Hα-helixtrans-72.9-28.2177.5-68.4-19.2000110.9F33 R38 L77 T78 H79 L85F33-N81 HydrophobicContact CE1-CB 4.38Å; F33-N81 WeakPolarHBondContact CE1-O 3.45Å; R38-N81 HydrophobicContact CB-CB 4.48Å; R38-N81 PolarHBondContact O-ND2 3.36Å; R38-N81 VanDerWaalsContact O-ND2 3.1Å; L77-N81 VanDerWaalsContact CD1-C 3.46Å; L77-N81 HydrophobicContact CD1-CB 3.87Å; T78-N81 PolarHBondContact O-N 3.02Å; T78-N81 VanDerWaalsContact O-N 3.14Å; T78-N81 WeakPolarHBondContact OG1-CB 3.48Å; T78-N81 PolarHBondContact OG1-N 2.92Å; T78-N81 PolarHBondContact OG1-ND2 2.92Å; T78-N81 VanDerWaalsContact OG1-ND2 3.09Å; H79-N81 VanDerWaalsContact C-N 3.33Å; H79-N81 PolarHBondContact O-N 3.48Å; N81-L85 VanDerWaalsContact O-CB 3.25Å; N81-L85 WeakPolarHBondContact O-CB 3.32Å; N81-L85 PolarHBondContact O-N 2.72Å
82R88.7Confident89.6Confident36 Ų3649.7 Ų49.714%0.13625%0.248CC..Hα-helixtrans-68.9-42.9-179.5176.4-95.6-80.6158.4-0.1111.7A12 L77 T78 H79 L80 L85 V86A12-R82 HydrophobicContact CB-CG 4.25Å; L77-R82 HydrophobicContact CD1-CB 3.67Å; L77-R82 VanDerWaalsContact CD1-N 3.27Å; L77-R82 HydrophobicContact CG-CB 4.21Å; T78-R82 PolarHBondContact O-N 2.98Å; H79-R82 PolarHBondContact CD2-NH2 3.26Å; H79-R82 PolarHBondContact NE2-NH1 3.08Å; H79-R82 PolarHBondContact NE2-NH2 3.26Å; H79-R82 WeakPolarHBondContact O-CB 3.29Å; H79-R82 PolarHBondContact O-N 3.12Å; H79-R82 VanDerWaalsContact O-N 3.1Å; L80-R82 VanDerWaalsContact C-N 3.3Å; R82-L85 PolarHBondContact O-N 3.01Å; R82-V86 WeakPolarHBondContact O-CG2 3.3Å; R82-V86 PolarHBondContact O-N 2.81Å; R82-V86 VanDerWaalsContact O-N 3.07Å
83D90Very high89.8Confident38 Ų3854.2 Ų54.220%0.20326%0.262CS..Hα-helixtrans-65.8-44.6176-66.3-36.1000111.3H79 L85 V86 E87 K110H79-D83 IonicContact CE1-OD2 3.13Å; H79-D83 PolarHBondContact CE1-OD2 2.77Å; H79-D83 IonicContact ND1-OD2 3.7Å; H79-D83 PolarHBondContact ND1-OD2 2.89Å; H79-D83 IonicContact NE2-OD2 3.58Å; H79-D83 PolarHBondContact O-N 3.08Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 3.25Å; D83-V86 PolarHBondContact O-N 3.05Å; D83-E87 WeakPolarHBondContact O-CG 3.45Å; D83-E87 PolarHBondContact O-N 3.03Å; D83-K110 IonicContact OD1-NZ 3.87Å; D83-K110 PolarHBondContact OD1-NZ 3.22Å
84K91.4Very high90Very high98 Ų9854.2 Ų54.243%0.42626%0.262SS..Hα-helixtrans-59.6-37.8173.8-69.2175.2-179.5176.90113.1F33 L80 E87 Q88F33-K84 HydrophobicContact CZ-CB 3.88Å; L80-K84 WeakPolarHBondContact O-CG 3.31Å; L80-K84 PolarHBondContact O-N 3.38Å; K84-E87 PolarHBondContact O-N 3.24Å; K84-Q88 WeakPolarHBondContact O-CB 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.42Å; K84-Q88 PolarHBondContact O-N 2.93Å
85L89.8Confident90.1Very high1 Ų154.7 Ų54.71%0.00527%0.267CS..Hα-helixtrans-65.5-46179.3-174.676.7000110.3F30 F33 F39 L77 N81 R82 D83 Q88 Y89 I108F30-L85 HydrophobicContact CD1-CD1 4.15Å; F30-L85 HydrophobicContact CE1-CD1 4.21Å; F33-L85 HydrophobicContact CD1-CB 4.47Å; F33-L85 HydrophobicContact CD1-CD1 3.73Å; F33-L85 HydrophobicContact CD2-CD1 4.16Å; F33-L85 HydrophobicContact CE1-CB 3.76Å; F33-L85 HydrophobicContact CE1-CD1 3.81Å; F33-L85 HydrophobicContact CE1-CG 4.41Å; F33-L85 HydrophobicContact CE2-CD1 4.2Å; F33-L85 HydrophobicContact CG-CD1 3.91Å; F33-L85 VanDerWaalsContact CZ-CA 3.49Å; F33-L85 HydrophobicContact CZ-CB 3.9Å; F33-L85 HydrophobicContact CZ-CD1 4.04Å; F39-L85 HydrophobicContact CE1-CD1 3.95Å; F39-L85 HydrophobicContact CE1-CD2 4.1Å; F39-L85 HydrophobicContact CZ-CD1 3.81Å; L77-L85 HydrophobicContact CD1-CD2 4.3Å; L77-L85 HydrophobicContact CD2-CD2 4.45Å; N81-L85 VanDerWaalsContact O-CB 3.25Å; N81-L85 WeakPolarHBondContact O-CB 3.32Å; N81-L85 PolarHBondContact O-N 2.72Å; R82-L85 PolarHBondContact O-N 3.01Å; D83-L85 VanDerWaalsContact C-N 3.29Å; D83-L85 PolarHBondContact O-N 3.25Å; L85-Q88 PolarHBondContact O-N 2.75Å; L85-Y89 HydrophobicContact CD1-CD2 3.72Å; L85-Y89 HydrophobicContact CD1-CE2 4.18Å; L85-Y89 HydrophobicContact CG-CD2 4.47Å; L85-Y89 WeakPolarHBondContact O-CB 3.16Å; L85-Y89 PolarHBondContact O-N 3.34Å; L85-I108 HydrophobicContact CD2-CD1 4.26Å; L85-I108 HydrophobicContact CG-CD1 4.01Å
86V90.8Very high89.9Confident26 Ų2656.9 Ų56.916%0.15828%0.279CS..Hα-helixtrans-62.9-44.1177.2173.40000110.5R82 D83 Q88 N90 I108 K110R82-V86 WeakPolarHBondContact O-CG2 3.3Å; R82-V86 PolarHBondContact O-N 2.81Å; R82-V86 VanDerWaalsContact O-N 3.07Å; D83-V86 PolarHBondContact O-N 3.05Å; V86-Q88 PolarHBondContact O-N 3.15Å; V86-N90 HydrophobicContact CG1-CB 4.13Å; V86-N90 WeakPolarHBondContact O-CB 3.49Å; V86-N90 PolarHBondContact O-N 2.86Å; V86-N90 VanDerWaalsContact O-N 3.12Å; V86-I108 HydrophobicContact CG2-CB 4.31Å; V86-I108 HydrophobicContact CG2-CG2 3.87Å; V86-K110 HydrophobicContact CG2-CG 4.47Å
87E90Very high89.7Confident155 Ų15557.9 Ų57.972%0.72428%0.283SS*.Hα-helixtrans-62.1-38.7178.4-73.4170.5-17400113.3D83 K84D83-E87 WeakPolarHBondContact O-CG 3.45Å; D83-E87 PolarHBondContact O-N 3.03Å; K84-E87 PolarHBondContact O-N 3.24Å
88Q89.1Confident89.5Confident109 Ų10963.9 Ų63.951%0.50932%0.315SS..Hα-helixtrans-87.8-30.2-174.9-70.2-171.67.200114.6K84 L85 V86K84-Q88 WeakPolarHBondContact O-CB 3.3Å; K84-Q88 WeakPolarHBondContact O-CG 3.42Å; K84-Q88 PolarHBondContact O-N 2.93Å; L85-Q88 PolarHBondContact O-N 2.75Å; V86-Q88 PolarHBondContact O-N 3.15Å
89Y91.1Very high89.1Confident2 Ų265.2 Ų65.21%0.00833%0.334CS..Hα-helixtrans-117.1-20.6-168.3-72.1-78.2000114.9F29 F30 T32 F33 L85 G91 R92F29-Y89 AromaticContact CD1-CD1 3.91Å; F29-Y89 HydrophobicContact CD1-CD1 3.91Å; F29-Y89 HydrophobicContact CD1-CE1 4.01Å; F29-Y89 AromaticContact CE1-CD1 3.34Å; F29-Y89 HydrophobicContact CE1-CD1 3.34Å; F29-Y89 AromaticContact CE1-CE1 3.9Å; F29-Y89 HydrophobicContact CE1-CE1 3.9Å; F29-Y89 HydrophobicContact CE1-CG 4.28Å; F29-Y89 AromaticContact CZ-CD1 3.74Å; F29-Y89 HydrophobicContact CZ-CD1 3.74Å; F29-Y89 HydrophobicContact CZ-CE1 4.33Å; F29-Y89 WeakPolarHBondContact O-CE1 3.21Å; F29-Y89 PolarHBondContact O-OH 2.84Å; F29-Y89 VanDerWaalsContact O-OH 3.12Å; F30-Y89 WeakPolarHBondContact CA-OH 3.04Å; F30-Y89 AromaticContact CD1-CD1 3.82Å; F30-Y89 HydrophobicContact CD1-CD1 3.82Å; F30-Y89 HydrophobicContact CD1-CD2 4Å; F30-Y89 AromaticContact CD1-CE1 3.79Å; F30-Y89 HydrophobicContact CD1-CE1 3.79Å; F30-Y89 AromaticContact CD1-CE2 3.99Å; F30-Y89 HydrophobicContact CD1-CE2 3.99Å; F30-Y89 AromaticContact CD1-CG 3.89Å; F30-Y89 HydrophobicContact CD1-CG 3.89Å; F30-Y89 AromaticContact CD1-CZ 3.85Å; F30-Y89 AromaticContact CE1-CD1 3.76Å; F30-Y89 HydrophobicContact CE1-CD1 3.76Å; F30-Y89 HydrophobicContact CE1-CD2 4.11Å; F30-Y89 HydrophobicContact CE1-CE1 4.21Å; F30-Y89 AromaticContact CE1-CG 3.67Å; F30-Y89 HydrophobicContact CE1-CG 3.67Å; T32-Y89 PolarHBondContact OG1-OH 3.08Å; F33-Y89 HydrophobicContact CD2-CD2 4.32Å; F33-Y89 AromaticContact CD2-CE2 3.49Å; F33-Y89 HydrophobicContact CD2-CE2 3.49Å; F33-Y89 VanDerWaalsContact CD2-CE2 3.49Å; F33-Y89 HydrophobicContact CE2-CD2 4.19Å; F33-Y89 AromaticContact CE2-CE2 3.68Å; F33-Y89 HydrophobicContact CE2-CE2 3.68Å; F33-Y89 HydrophobicContact CG-CE2 4.42Å; L85-Y89 HydrophobicContact CD1-CD2 3.72Å; L85-Y89 HydrophobicContact CD1-CE2 4.18Å; L85-Y89 HydrophobicContact CG-CD2 4.47Å; L85-Y89 WeakPolarHBondContact O-CB 3.16Å; L85-Y89 PolarHBondContact O-N 3.34Å; Y89-G91 PolarHBondContact O-N 2.9Å; Y89-R92 WeakPolarHBondContact O-CB 3.4Å; Y89-R92 PolarHBondContact O-N 2.85Å
90N90.9Very high89.3Confident79 Ų7966.1 Ų66.142%0.42234%0.342SS..THydrogen-bonded Turntrans-66.2128.4-179.7-164.532.3000110.5V86 R92 E107 I108V86-N90 HydrophobicContact CG1-CB 4.13Å; V86-N90 WeakPolarHBondContact O-CB 3.49Å; V86-N90 PolarHBondContact O-N 2.86Å; V86-N90 VanDerWaalsContact O-N 3.12Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 PolarHBondContact O-N 3.05Å; N90-E107 WeakPolarHBondContact OD1-CA 3.43Å; N90-I108 PolarHBondContact OD1-N 3.06Å; N90-I108 VanDerWaalsContact OD1-N 3.11Å
91G88.2Confident89.3Confident43 Ų4366.6 Ų66.644%0.44334%0.341SS..THydrogen-bonded Turntrans80-3.4-177.600000115.5Y89 C106Y89-G91 PolarHBondContact O-N 2.9Å; G91-C106 WeakPolarHBondContact CA-O 3.45Å; G91-C106 PolarHBondContact N-O 3.5Å
92R91.7Very high89.1Confident134 Ų13468.1 Ų68.151%0.50635%0.347SS..PPolyproline II helixtrans-74.1139.2177-172.6174.9-179.7177.80.1110.7F29 Y89 N90 K105 C106F29-R92 HydrophobicContact CE2-CG 4.02Å; F29-R92 HydrophobicContact CZ-CB 4.07Å; F29-R92 HydrophobicContact CZ-CG 4.06Å; Y89-R92 WeakPolarHBondContact O-CB 3.4Å; Y89-R92 PolarHBondContact O-N 2.85Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 PolarHBondContact O-N 3.05Å; R92-K105 CarbonylContact O-C 3.43Å; R92-K105 WeakPolarHBondContact O-CA 2.94Å; R92-C106 WeakPolarHBondContact O-CB 3.15Å; R92-C106 PolarHBondContact O-N 3.28Å
93R92.4Very high89Confident115 Ų11570.5 Ų70.543%0.43437%0.369SS..EExtended strand (participates in β ladder)trans-66.7137.5175.6-58.5-179.888.7-17715.3110.2F29 E101 H102 K105F29-R93 VanDerWaalsContact CE2-O 3.28Å; F29-R93 WeakPolarHBondContact CE2-O 3.25Å; R93-E101 IonicContact CZ-OE2 2.79Å; R93-E101 IonicContact NE-OE2 3.94Å; R93-E101 IonicContact NH1-OE2 2.62Å; R93-E101 PolarHBondContact NH1-OE2 2.93Å; R93-H102 PolarHBondContact NE-O 3.02Å; R93-K105 HydrophobicContact CG-CG 4.12Å
94W93Very high88.9Confident0 Ų070 Ų700%037%0.366CS..EExtended strand (participates in β ladder)trans-62.5144.8176.2-70.5112.8000110.8V14 N16 I17 P18 Y21 L26 F29 F30 E101 H102 L104 C106V14-W94 HydrophobicContact CG1-CH2 3.69Å; V14-W94 HydrophobicContact CG1-CZ2 3.93Å; N16-W94 PolarHBondContact O-NE1 3.14Å; I17-W94 HydrophobicContact CB-CZ2 4.38Å; I17-W94 HydrophobicContact CG1-CH2 3.91Å; I17-W94 HydrophobicContact CG1-CZ2 3.62Å; P18-W94 HydrophobicContact CG-CB 4.47Å; P18-W94 HydrophobicContact CG-CG 4.31Å; Y21-W94 HydrophobicContact CD1-CE3 4.48Å; Y21-W94 HydrophobicContact CE1-CB 3.76Å; Y21-W94 HydrophobicContact CE1-CD2 4.39Å; Y21-W94 HydrophobicContact CE1-CE3 4.14Å; Y21-W94 HydrophobicContact CE1-CG 4.29Å; Y21-W94 VanDerWaalsContact OH-C 3.28Å; Y21-W94 WeakPolarHBondContact OH-CB 3.49Å; L26-W94 HydrophobicContact CD2-CE3 4.34Å; L26-W94 HydrophobicContact CD2-CH2 3.98Å; L26-W94 HydrophobicContact CD2-CZ3 3.61Å; F29-W94 HydrophobicContact CB-CZ3 4.49Å; F29-W94 AromaticContact CD1-CE3 3.7Å; F29-W94 HydrophobicContact CD1-CE3 3.7Å; F29-W94 HydrophobicContact CD1-CH2 4.31Å; F29-W94 AromaticContact CD1-CZ3 3.32Å; F29-W94 HydrophobicContact CD1-CZ3 3.32Å; F29-W94 HydrophobicContact CD2-CE3 4.08Å; F29-W94 AromaticContact CE1-CE3 3.74Å; F29-W94 HydrophobicContact CE1-CE3 3.74Å; F29-W94 HydrophobicContact CE1-CH2 4.15Å; F29-W94 AromaticContact CE1-CZ3 3.44Å; F29-W94 HydrophobicContact CE1-CZ3 3.44Å; F29-W94 VanDerWaalsContact CE1-CZ3 3.44Å; F29-W94 HydrophobicContact CE2-CE3 4.16Å; F29-W94 AromaticContact CG-CE3 3.84Å; F29-W94 HydrophobicContact CG-CE3 3.84Å; F29-W94 AromaticContact CG-CZ3 3.88Å; F29-W94 HydrophobicContact CG-CZ3 3.88Å; F29-W94 AromaticContact CZ-CE3 3.97Å; F29-W94 HydrophobicContact CZ-CE3 3.97Å; F29-W94 HydrophobicContact CZ-CZ3 4.14Å; F30-W94 AromaticContact CE2-CH2 3.95Å; F30-W94 HydrophobicContact CE2-CH2 3.95Å; F30-W94 AromaticContact CE2-CZ3 3.85Å; F30-W94 HydrophobicContact CE2-CZ3 3.85Å; F30-W94 AromaticContact CZ-CH2 3.92Å; F30-W94 HydrophobicContact CZ-CH2 3.92Å; F30-W94 HydrophobicContact CZ-CZ3 4.04Å; W94-E101 CarbonylContact O-C 3.56Å; W94-E101 WeakPolarHBondContact O-CA 3.25Å; W94-H102 HydrophobicContact CB-CB 4.02Å; W94-H102 PolarHBondContact O-N 3.29Å; W94-L104 PolarHBondContact N-O 3.21Å; W94-L104 VanDerWaalsContact N-O 3.08Å; W94-C106 HydrophobicContact CD2-CB 4.17Å; W94-C106 HydrophobicContact CE3-CB 4.49Å; W94-C106 HydrophobicContact CH2-CB 3.91Å; W94-C106 VanDerWaalsContact CH2-SG 3.56Å; W94-C106 HydrophobicContact CZ2-CB 3.55Å; W94-C106 VanDerWaalsContact CZ2-SG 3.57Å; W94-C106 HydrophobicContact CZ3-CB 4.38Å
95A90.2Very high88.9Confident22 Ų2271 Ų7118%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-126.6134.917500000109.9Y21 F29 N100Y21-A95 WeakPolarHBondContact CE1-O 3.37Å; Y21-A95 WeakPolarHBondContact OH-CA 3.12Å; Y21-A95 PolarHBondContact OH-N 3.07Å; Y21-A95 PolarHBondContact OH-O 3.31Å; F29-A95 HydrophobicContact CD2-CB 4.36Å; A95-N100 WeakPolarHBondContact CA-O 3.44Å
96N87Confident88.9Confident47 Ų4771 Ų7125%0.25137%0.37SS..  trans-71.3170176.8-67.1-0000110.8Y21 D98 G99 N100Y21-N96 WeakPolarHBondContact CE2-OD1 3.18Å; Y21-N96 PolarHBondContact OH-N 3.02Å; Y21-N96 PolarHBondContact OH-OD1 3.07Å; N96-D98 PolarHBondContact O-N 2.85Å; N96-G99 PolarHBondContact O-N 2.91Å; N96-N100 PolarHBondContact N-O 3.42Å
97F84.7Confident88.9Confident63 Ų6374.5 Ų74.528%0.27639%0.385SS..THydrogen-bonded Turntrans-53.5-33.8171-178.3-98.6000113.5D25 G99 G159D25-F97 VanDerWaalsContact OD1-CB 3.23Å; D25-F97 WeakPolarHBondContact OD1-CB 3.45Å; D25-F97 PolarHBondContact OD1-N 3.21Å; F97-G99 PolarHBondContact O-N 2.9Å; F97-G159 WeakPolarHBondContact CE2-O 3.49Å
98D85.8Confident89Confident126 Ų12667.5 Ų67.567%0.67435%0.353SS*.THydrogen-bonded Turntrans-76.7-5.5177.4-55.6-48.7000113.5N96N96-D98 PolarHBondContact O-N 2.85Å
99G82.5Confident88.9Confident51 Ų5164.4 Ų64.453%0.52634%0.343SS..  trans88.7-0.6-178.400000114.8N96 F97N96-G99 PolarHBondContact O-N 2.91Å; F97-G99 PolarHBondContact O-N 2.9Å
100N88.9Confident88.8Confident102 Ų10269.3 Ų69.355%0.54536%0.364SS..PPolyproline II helixtrans-71129.2178-64.2-26000111.2A95 N96A95-N100 WeakPolarHBondContact CA-O 3.44Å; N96-N100 PolarHBondContact N-O 3.42Å
101E88.5Confident88.4Confident135 Ų13567.6 Ų67.663%0.63136%0.357SS*.EExtended strand (participates in β ladder)trans-74.4137.6176.5-63.3-171.3172.900111.9R93 W94R93-E101 IonicContact CZ-OE2 2.79Å; R93-E101 IonicContact NE-OE2 3.94Å; R93-E101 IonicContact NH1-OE2 2.62Å; R93-E101 PolarHBondContact NH1-OE2 2.93Å; W94-E101 CarbonylContact O-C 3.56Å; W94-E101 WeakPolarHBondContact O-CA 3.25Å
102H85.5Confident87.7Confident49 Ų4975 Ų7523%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-94.6161173.5-165.7-96.2000111Y21 R93 W94 L104Y21-H102 HydrophobicContact CE2-CB 4.39Å; R93-H102 PolarHBondContact NE-O 3.02Å; W94-H102 HydrophobicContact CB-CB 4.02Å; W94-H102 PolarHBondContact O-N 3.29Å; H102-L104 PolarHBondContact ND1-N 3.29Å
103S88Confident86.6Confident85 Ų8574.3 Ų74.359%0.59438%0.383SS*.EExtended strand (participates in β ladder)trans-66.6-36.9179.6560000112.9
104L88.3Confident85.3Confident28 Ų2870.5 Ų70.515%0.14738%0.376CS..EExtended strand (participates in β ladder)trans-73.3150.4-179.4-59.8178.9000113P18 P68 T70 W94 H102P18-L104 HydrophobicContact CB-CD1 4.35Å; P18-L104 HydrophobicContact CG-CD1 4.12Å; P68-L104 HydrophobicContact CB-CD1 4.36Å; P68-L104 HydrophobicContact CG-CD1 4.12Å; P68-L104 HydrophobicContact CG-CD2 4.14Å; T70-L104 HydrophobicContact CG2-CD1 3.81Å; W94-L104 PolarHBondContact N-O 3.21Å; W94-L104 VanDerWaalsContact N-O 3.08Å; H102-L104 PolarHBondContact ND1-N 3.29Å
105K90.5Very high84.3Confident118 Ų11877 Ų7751%0.51341%0.411SS..EExtended strand (participates in β ladder)trans-110.5140.6179-66.2175.5179.6-1800111N16 R92 R93 E107N16-K105 WeakPolarHBondContact CB-O 3.42Å; N16-K105 PolarHBondContact ND2-N 3.47Å; N16-K105 PolarHBondContact ND2-O 3.22Å; R92-K105 CarbonylContact O-C 3.43Å; R92-K105 WeakPolarHBondContact O-CA 2.94Å; R93-K105 HydrophobicContact CG-CG 4.12Å; K105-E107 PolarHBondContact O-N 2.68Å
106C90Very high83.5Confident1 Ų183.7 Ų83.71%0.00744%0.439CS..  trans-64.4130.3173-178.80000110.1F29 G91 R92 W94F29-C106 HydrophobicContact CE1-CB 4.08Å; F29-C106 HydrophobicContact CZ-CB 3.99Å; G91-C106 WeakPolarHBondContact CA-O 3.45Å; G91-C106 PolarHBondContact N-O 3.5Å; R92-C106 WeakPolarHBondContact O-CB 3.15Å; R92-C106 PolarHBondContact O-N 3.28Å; W94-C106 HydrophobicContact CD2-CB 4.17Å; W94-C106 HydrophobicContact CE3-CB 4.49Å; W94-C106 HydrophobicContact CH2-CB 3.91Å; W94-C106 VanDerWaalsContact CH2-SG 3.56Å; W94-C106 HydrophobicContact CZ2-CB 3.55Å; W94-C106 VanDerWaalsContact CZ2-SG 3.57Å; W94-C106 HydrophobicContact CZ3-CB 4.38Å
107E91.4Very high82.9Confident100 Ų10082.4 Ų82.447%0.46743%0.432SS..EExtended strand (participates in β ladder)trans-124.1125.9174.7178.7175.7-174.700109.1H15 N90 K105H15-E107 HydrophobicContact CB-CB 4.25Å; H15-E107 PolarHBondContact N-O 3.23Å; H15-E107 PolarHBondContact ND1-O 2.53Å; N90-E107 WeakPolarHBondContact OD1-CA 3.43Å; K105-E107 PolarHBondContact O-N 2.68Å
108I91.2Very high82.3Confident9 Ų981.4 Ų81.45%0.04644%0.435CS..EExtended strand (participates in β ladder)trans-120.1116.1-175.5-54.6175.2000108.6A12 V13 V14 L85 V86 N90A12-I108 HydrophobicContact CB-CG2 4.11Å; V13-I108 WeakPolarHBondContact O-CA 3.48Å; V14-I108 HydrophobicContact CG2-CG1 4.36Å; L85-I108 HydrophobicContact CD2-CD1 4.26Å; L85-I108 HydrophobicContact CG-CD1 4.01Å; V86-I108 HydrophobicContact CG2-CB 4.31Å; V86-I108 HydrophobicContact CG2-CG2 3.87Å; N90-I108 PolarHBondContact OD1-N 3.06Å; N90-I108 VanDerWaalsContact OD1-N 3.11Å
109S87.7Confident81.9Confident44 Ų4484 Ų8431%0.30844%0.441SS..EExtended strand (participates in β ladder)trans-102.9146.8174.987.30000110.9A12 V13 H15A12-S109 WeakPolarHBondContact CA-O 3.39Å; V13-S109 PolarHBondContact N-O 3.41Å; V13-S109 PolarHBondContact O-N 3.15Å; H15-S109 PolarHBondContact CE1-OG 3.16Å
110K88.3Confident81.6Confident104 Ų10483.7 Ų83.745%0.45243%0.427SS..EExtended strand (participates in β ladder)trans-88.9124.8178.2-53.9-173.2179.5-176.10108.2D83 V86D83-K110 IonicContact OD1-NZ 3.87Å; D83-K110 PolarHBondContact OD1-NZ 3.22Å; V86-K110 HydrophobicContact CG2-CG 4.47Å
111V83.5Confident81.2Confident43 Ų4388 Ų8826%0.26144%0.436SS..EExtended strand (participates in β ladder)trans-96.2131.4175.8179.60000109.3Y11 V13 D113 V117Y11-V111 PolarHBondContact O-N 3.03Å; V13-V111 HydrophobicContact CB-CG2 4.21Å; V13-V111 HydrophobicContact CG2-CG2 3.37Å; V111-D113 WeakPolarHBondContact CG1-O 3.37Å; V111-V117 HydrophobicContact CG1-CG2 3.99Å
112K72.8Confident80.8Confident198 Ų19881.7 Ų81.786%0.86141%0.406SS*.  trans-87-39.7177.5-68.7-179.9178.9178.40111.6A114K112-A114 PolarHBondContact O-N 3.4Å
113D68.5Low80.4Confident121 Ų12180.3 Ų80.365%0.64740%0.4SS*.  trans-86.5107-173-55.7-45.5000111.2V111 V117V111-D113 WeakPolarHBondContact CG1-O 3.37Å; D113-V117 WeakPolarHBondContact O-CG2 3.17Å
114A66.3Low80.1Confident34 Ų3481.5 Ų81.528%0.28140%0.4SS..  trans-82.2-32.2-174.400000113.7Y11 K112 V117 A118Y11-A114 HydrophobicContact CD2-CB 3.81Å; Y11-A114 HydrophobicContact CE2-CB 3.56Å; K112-A114 PolarHBondContact O-N 3.4Å; A114-V117 PolarHBondContact O-N 3.27Å; A114-A118 PolarHBondContact O-N 2.98Å
115D69.9Low79.8Confident138 Ų13881.6 Ų81.674%0.73840%0.402SS*.Hα-helixtrans-75-41.2-162.3-64.7-27.5000113.7V117D115-V117 VanDerWaalsContact C-N 3.34Å
116E73.5Confident79.4Confident162 Ų16278.9 Ų78.976%0.75740%0.396SS*.Hα-helixtrans-69.8-37.3175.6-64.5-170.8173.700111.4A118 K119E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.32Å; E116-K119 PolarHBondContact O-N 3.07Å
117V74.3Confident79Confident19 Ų1990.4 Ų90.412%0.11544%0.44CS..Hα-helixtrans-65.6-38.1-177.7-178.80000110.5Y11 V74 V111 D113 A114 D115 K119 L120 L123Y11-V117 HydrophobicContact CD1-CG1 3.73Å; Y11-V117 HydrophobicContact CE1-CG1 4.24Å; Y11-V117 HydrophobicContact CG-CG1 3.98Å; V74-V117 HydrophobicContact CG1-CG1 3.36Å; V111-V117 HydrophobicContact CG1-CG2 3.99Å; D113-V117 WeakPolarHBondContact O-CG2 3.17Å; A114-V117 PolarHBondContact O-N 3.27Å; D115-V117 VanDerWaalsContact C-N 3.34Å; V117-K119 PolarHBondContact O-N 3.15Å; V117-L120 HydrophobicContact CG1-CD1 4.17Å; V117-L120 WeakPolarHBondContact O-CB 3.27Å; V117-L120 VanDerWaalsContact O-CG 3.26Å; V117-L120 WeakPolarHBondContact O-CG 3.49Å; V117-L120 PolarHBondContact O-N 3.35Å; V117-L120 VanDerWaalsContact O-N 3.13Å; V117-L123 HydrophobicContact CG1-CD1 4.23Å; V117-L123 WeakPolarHBondContact O-CD1 3.35Å
118A73.5Confident78.7Confident42 Ų4287.8 Ų87.835%0.34743%0.429SS..Hα-helixtrans-56.4-30.6178.800000114.2A114 E116 L120A114-A118 PolarHBondContact O-N 2.98Å; E116-A118 VanDerWaalsContact C-N 3.31Å; E116-A118 PolarHBondContact O-N 3.32Å; A118-L120 VanDerWaalsContact C-N 3.3Å; A118-L120 PolarHBondContact O-N 3.17Å
119K76.6Confident78.6Confident180 Ų18088 Ų8878%0.78343%0.43SS*.THydrogen-bonded Turntrans-81.2-7.6-177.2-63.5177.4-175.2172.50113.5E116 V117E116-K119 PolarHBondContact O-N 3.07Å; V117-K119 PolarHBondContact O-N 3.15Å
120L77Confident78.4Confident46 Ų4688.5 Ų88.524%0.24143%0.432CS..SBendtrans-67.8142-178.7-62.7173.8000111.5V74 V117 A118 E122 L123V74-L120 HydrophobicContact CG2-CD1 3.76Å; V117-L120 HydrophobicContact CG1-CD1 4.17Å; V117-L120 WeakPolarHBondContact O-CB 3.27Å; V117-L120 VanDerWaalsContact O-CG 3.26Å; V117-L120 WeakPolarHBondContact O-CG 3.49Å; V117-L120 PolarHBondContact O-N 3.35Å; V117-L120 VanDerWaalsContact O-N 3.13Å; A118-L120 VanDerWaalsContact C-N 3.3Å; A118-L120 PolarHBondContact O-N 3.17Å; L120-E122 PolarHBondContact O-N 2.81Å; L120-L123 PolarHBondContact O-N 3.38Å
121R80.5Confident78.4Confident193 Ų19386.7 Ų86.773%0.72842%0.422SS*.G310 helixtrans-56.3-25.7176.1-172.5179.9173-146.60.3113.2L45 L123 N124L45-R121 HydrophobicContact CD1-CB 4.04Å; L45-R121 HydrophobicContact CD1-CG 3.89Å; R121-L123 PolarHBondContact O-N 2.66Å; R121-N124 PolarHBondContact O-N 3.35Å
122E78.9Confident78.7Confident2 Ų284.6 Ų84.61%0.00941%0.41CS..G310 helixtrans-66.7-19.6178.5-63.5169.9-143.200113.2H43 L45 R47 V74 L120H43-E122 VanDerWaalsContact CB-O 3.25Å; H43-E122 WeakPolarHBondContact CB-O 3.35Å; L45-E122 HydrophobicContact CB-CG 4.19Å; L45-E122 HydrophobicContact CD1-CG 3.66Å; L45-E122 HydrophobicContact CG-CG 3.97Å; R47-E122 WeakPolarHBondContact CD-OE1 3.13Å; R47-E122 IonicContact CZ-OE1 3.99Å; R47-E122 IonicContact NE-OE1 2.8Å; R47-E122 PolarHBondContact NE-OE1 2.92Å; V74-E122 PolarHBondContact N-OE2 2.87Å; L120-E122 PolarHBondContact O-N 2.81Å
123L77.9Confident79.5Confident19 Ų1976.6 Ų76.610%0.09938%0.376CS..G310 helixtrans-98.30.5177.2-64.2179.4000113.7Y11 C41 K76 V117 L120 R121 P125Y11-L123 HydrophobicContact CD1-CD1 4.16Å; Y11-L123 HydrophobicContact CE1-CD1 3.48Å; Y11-L123 VanDerWaalsContact CE1-CD1 3.48Å; Y11-L123 HydrophobicContact CE1-CD2 4.24Å; C41-L123 HydrophobicContact CB-CD2 4.32Å; K76-L123 HydrophobicContact CB-CD2 3.83Å; V117-L123 HydrophobicContact CG1-CD1 4.23Å; V117-L123 WeakPolarHBondContact O-CD1 3.35Å; L120-L123 PolarHBondContact O-N 3.38Å; R121-L123 PolarHBondContact O-N 2.66Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å
124N82.5Confident80.5Confident111 Ų11170.9 Ų70.959%0.59435%0.346SS*.SBendtrans-113.970.8177.5-65.6-41000109.6R121R121-N124 PolarHBondContact O-N 3.35Å
125P81.5Confident81.5Confident30 Ų3069.2 Ų69.220%0.19533%0.332CS..  trans-71.3157.9-177.933.5-37.9000111.5H43 L123 M129 P130H43-P125 HydrophobicContact CB-CB 4.42Å; L123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-M129 WeakPolarHBondContact CB-O 3.39Å; P125-P130 VanDerWaalsContact CG-O 3.25Å; P125-P130 WeakPolarHBondContact CG-O 3.34Å
126P81.5Confident82.6Confident60 Ų6062.7 Ų62.739%0.3930%0.297SS..  trans-64.1151.1178.926.8-34.6000111.8L128 M129P126-L128 PolarHBondContact O-N 2.67Å; P126-M129 HydrophobicContact CG-CE 4.2Å; P126-M129 CarbonylContact O-C 3.32Å; P126-M129 VanDerWaalsContact O-C 3.32Å; P126-M129 PolarHBondContact O-N 3.1Å
127R82.9Confident83.4Confident244 Ų24455.5 Ų55.592%0.92127%0.265SS*.THydrogen-bonded Turntrans-52.2-30.9-178.2-176.1176.2173.6132-2.2114.2M129R127-M129 VanDerWaalsContact C-N 3.28Å; R127-M129 PolarHBondContact O-N 2.94Å
128L85.3Confident84.1Confident45 Ų4556 Ų5624%0.23627%0.268CS..THydrogen-bonded Turntrans-65.5-30.6178.4-168.363.9000113P126 Y140 M150 V154P126-L128 PolarHBondContact O-N 2.67Å; L128-Y140 WeakPolarHBondContact O-CE1 3.32Å; L128-M150 HydrophobicContact CD1-CB 4.46Å; L128-M150 HydrophobicContact CD1-CG 3.74Å; L128-M150 HydrophobicContact CD1-SD 3.72Å; L128-M150 HydrophobicContact CD2-CG 4.39Å; L128-M150 HydrophobicContact CD2-SD 3.67Å; L128-M150 HydrophobicContact CG-CG 4.28Å; L128-M150 HydrophobicContact CG-SD 3.58Å; L128-M150 VanDerWaalsContact CG-SD 3.58Å; L128-V154 HydrophobicContact CD2-CG1 4.41Å
129M87.1Confident84.9Confident13 Ų1357.3 Ų57.36%0.06428%0.279CS..SBendtrans-128.379.1-175.7-73.8-177.7-77.100109.7P125 P126 R127 W131 G132 N133 F141 L158P125-M129 WeakPolarHBondContact CB-O 3.39Å; P126-M129 HydrophobicContact CG-CE 4.2Å; P126-M129 CarbonylContact O-C 3.32Å; P126-M129 VanDerWaalsContact O-C 3.32Å; P126-M129 PolarHBondContact O-N 3.1Å; R127-M129 VanDerWaalsContact C-N 3.28Å; R127-M129 PolarHBondContact O-N 2.94Å; M129-W131 PolarHBondContact O-N 3.49Å; M129-G132 PolarHBondContact O-N 3.18Å; M129-N133 WeakPolarHBondContact CE-OD1 3Å; M129-F141 HydrophobicContact CG-CE1 3.44Å; M129-F141 VanDerWaalsContact CG-CE1 3.44Å; M129-F141 HydrophobicContact CG-CZ 3.62Å; M129-F141 HydrophobicContact SD-CE1 3.66Å; M129-F141 HydrophobicContact SD-CZ 3.56Å; M129-F141 VanDerWaalsContact SD-CZ 3.56Å; M129-L158 HydrophobicContact SD-CD2 4.08Å
130P85.1Confident85.6Confident54 Ų5451.5 Ų51.535%0.35125%0.252SS..THydrogen-bonded Turntrans-60.4-26.8-168.123.1-33.8000113.8P125 Y140P125-P130 VanDerWaalsContact CG-O 3.25Å; P125-P130 WeakPolarHBondContact CG-O 3.34Å; P130-Y140 HydrophobicContact CG-CE1 4.35Å; P130-Y140 HydrophobicContact CG-CE2 4.39Å
131W88Confident86.2Confident66 Ų6649.3 Ų49.325%0.2524%0.241CC..THydrogen-bonded Turntrans-104.712.7178.5-49.6-62.9000112.8C41 F42 M129 G135 T136 P137 Y140C41-W131 WeakPolarHBondContact CA-O 3.34Å; F42-W131 PolarHBondContact N-O 2.76Å; M129-W131 PolarHBondContact O-N 3.49Å; W131-G135 WeakPolarHBondContact O-CA 3.5Å; W131-T136 HydrophobicContact CE3-CG2 4Å; W131-T136 HydrophobicContact CZ3-CG2 4.39Å; W131-T136 PolarHBondContact N-OG1 3.18Å; W131-P137 HydrophobicContact CE3-CG 4.48Å; W131-P137 HydrophobicContact CZ3-CG 4.11Å; W131-Y140 HydrophobicContact CH2-CD2 4.13Å; W131-Y140 HydrophobicContact CH2-CE2 4.5Å; W131-Y140 AromaticContact CZ3-CD2 3.77Å; W131-Y140 HydrophobicContact CZ3-CD2 3.77Å; W131-Y140 HydrophobicContact CZ3-CE2 4.3Å; W131-Y140 AromaticContact CZ3-CG 3.97Å; W131-Y140 HydrophobicContact CZ3-CG 3.97Å
132G88.7Confident86.7Confident0 Ų042.8 Ų42.80%022%0.218CC..  trans91.1173.2177.600000115.5F42 M129 V134 T136F42-G132 CarbonylContact O-C 3.47Å; F42-G132 WeakPolarHBondContact O-CA 3.44Å; M129-G132 PolarHBondContact O-N 3.18Å; G132-V134 PolarHBondContact O-N 3.1Å; G132-T136 PolarHBondContact N-OG1 3.27Å; G132-T136 WeakPolarHBondContact O-CB 3.39Å; G132-T136 PolarHBondContact O-N 3.01Å; G132-T136 PolarHBondContact O-OG1 2.86Å
133N90.5Very high87.2Confident30 Ų3044.4 Ų44.416%0.1623%0.231CC..THydrogen-bonded Turntrans-66.3-23.4-172.3-73.5-2.8000113.1R27 F42 H43 M129R27-N133 PolarHBondContact NE-O 3.39Å; R27-N133 VanDerWaalsContact NH2-C 3.27Å; R27-N133 PolarHBondContact NH2-O 3.12Å; F42-N133 PolarHBondContact O-N 2.75Å; H43-N133 PolarHBondContact CE1-ND2 3.03Å; H43-N133 PolarHBondContact CE1-OD1 3.16Å; H43-N133 PolarHBondContact ND1-N 3.32Å; H43-N133 PolarHBondContact ND1-OD1 3.11Å; H43-N133 VanDerWaalsContact ND1-OD1 3.11Å; M129-N133 WeakPolarHBondContact CE-OD1 3Å
134V89.2Confident87.7Confident0 Ų044.9 Ų44.90%023%0.233CC..THydrogen-bonded Turntrans-111.6-39.1178.4-177.70000110L26 R27 T34 F42 F44 G132 T136L26-V134 HydrophobicContact CB-CG1 4.02Å; L26-V134 HydrophobicContact CB-CG2 3.93Å; L26-V134 HydrophobicContact CD1-CG2 4.28Å; R27-V134 HydrophobicContact CG-CB 4.31Å; R27-V134 HydrophobicContact CG-CG1 3.93Å; T34-V134 HydrophobicContact CG2-CG1 4.02Å; T34-V134 WeakPolarHBondContact CG2-O 3.41Å; F42-V134 HydrophobicContact CD1-CB 3.49Å; F42-V134 VanDerWaalsContact CD1-CB 3.49Å; F42-V134 HydrophobicContact CD1-CG1 3.38Å; F42-V134 HydrophobicContact CD1-CG2 4.44Å; F42-V134 HydrophobicContact CE1-CB 3.73Å; F42-V134 HydrophobicContact CE1-CG1 3.35Å; F42-V134 HydrophobicContact CE1-CG2 4.29Å; F42-V134 HydrophobicContact CG-CB 3.96Å; F42-V134 HydrophobicContact CG-CG1 4.33Å; F42-V134 HydrophobicContact CZ-CB 4.38Å; F42-V134 HydrophobicContact CZ-CG1 4.29Å; F42-V134 PolarHBondContact O-N 3Å; F44-V134 HydrophobicContact CB-CG2 4.23Å; G132-V134 PolarHBondContact O-N 3.1Å; V134-T136 VanDerWaalsContact C-N 3.34Å; V134-T136 PolarHBondContact O-N 3.43Å
135G88.4Confident87.9Confident0 Ų041.8 Ų41.80%022%0.216CC..THydrogen-bonded Turntrans-67.6-27.9-176.100000114.8F42 W131F42-G135 PolarHBondContact O-N 2.9Å; W131-G135 WeakPolarHBondContact O-CA 3.5Å
136T91.3Very high88.2Confident0 Ų048.2 Ų48.20%024%0.244CC..SBendtrans-68.7125.1179.5-55.50000110.7R27 W131 G132 V134 Y140 F141R27-T136 VanDerWaalsContact CZ-O 3.29Å; R27-T136 PolarHBondContact NH1-O 3.36Å; R27-T136 PolarHBondContact NH2-O 2.89Å; W131-T136 HydrophobicContact CE3-CG2 4Å; W131-T136 HydrophobicContact CZ3-CG2 4.39Å; W131-T136 PolarHBondContact N-OG1 3.18Å; G132-T136 PolarHBondContact N-OG1 3.27Å; G132-T136 WeakPolarHBondContact O-CB 3.39Å; G132-T136 PolarHBondContact O-N 3.01Å; G132-T136 PolarHBondContact O-OG1 2.86Å; V134-T136 VanDerWaalsContact C-N 3.34Å; V134-T136 PolarHBondContact O-N 3.43Å; T136-Y140 HydrophobicContact CG2-CD1 3.31Å; T136-Y140 HydrophobicContact CG2-CE1 4.01Å; T136-Y140 HydrophobicContact CG2-CG 3.86Å; T136-F141 HydrophobicContact CG2-CD2 4.3Å; T136-F141 HydrophobicContact CG2-CE1 4.09Å; T136-F141 HydrophobicContact CG2-CE2 3.56Å; T136-F141 HydrophobicContact CG2-CZ 3.5Å; T136-F141 VanDerWaalsContact CG2-CZ 3.5Å; T136-F141 WeakPolarHBondContact O-CE2 3.29Å
137P92Very high88.6Confident12 Ų1252.2 Ų52.28%0.07826%0.255CS..  trans-69.4156.2-176.825.9-33.1000112.7T34 W131 A139 Y140 F141T34-P137 WeakPolarHBondContact O-CB 3.42Å; W131-P137 HydrophobicContact CE3-CG 4.48Å; W131-P137 HydrophobicContact CZ3-CG 4.11Å; P137-A139 VanDerWaalsContact C-N 3.28Å; P137-A139 PolarHBondContact O-N 3Å; P137-Y140 WeakPolarHBondContact O-CB 3.5Å; P137-Y140 PolarHBondContact O-N 2.94Å; P137-Y140 VanDerWaalsContact O-N 3.17Å; P137-F141 VanDerWaalsContact O-CD2 3.27Å; P137-F141 WeakPolarHBondContact O-CD2 3.23Å
138T89Confident88.7Confident30 Ų3046.1 Ų46.118%0.18425%0.248CC..Hα-helixtrans-63.5-35.8-179.4-59.20000111.6E35 Y140 F141 F142 L160E35-T138 WeakPolarHBondContact OE1-CB 3.49Å; E35-T138 PolarHBondContact OE1-OG1 3.4Å; E35-T138 WeakPolarHBondContact OE2-CB 3.35Å; E35-T138 PolarHBondContact OE2-N 2.84Å; T138-Y140 VanDerWaalsContact C-N 3.29Å; T138-Y140 PolarHBondContact O-N 3.42Å; T138-F141 PolarHBondContact O-N 2.91Å; T138-F141 VanDerWaalsContact O-N 3.13Å; T138-F142 HydrophobicContact CG2-CD2 3.81Å; T138-F142 HydrophobicContact CG2-CE2 3.3Å; T138-F142 HydrophobicContact CG2-CZ 4.09Å; T138-F142 VanDerWaalsContact O-CD2 3.32Å; T138-F142 WeakPolarHBondContact O-CD2 3.39Å; T138-F142 PolarHBondContact O-N 3.07Å; T138-L160 HydrophobicContact CG2-CD2 3.71Å
139A90.3Very high88.9Confident69 Ų6947.3 Ų47.357%0.5726%0.258SS*.Hα-helixtrans-58.2-37.9175.400000113.4P137 F142 A143P137-A139 VanDerWaalsContact C-N 3.28Å; P137-A139 PolarHBondContact O-N 3Å; A139-F142 PolarHBondContact O-N 3.13Å; A139-A143 PolarHBondContact O-N 3.46Å
140Y90.5Very high88.7Confident57 Ų5747.6 Ų47.622%0.22426%0.259CS..Hα-helixtrans-65.5-41.2177.1179-90.2000111L128 P130 W131 T136 P137 T138 A143 Q144L128-Y140 WeakPolarHBondContact O-CE1 3.32Å; P130-Y140 HydrophobicContact CG-CE1 4.35Å; P130-Y140 HydrophobicContact CG-CE2 4.39Å; W131-Y140 HydrophobicContact CH2-CD2 4.13Å; W131-Y140 HydrophobicContact CH2-CE2 4.5Å; W131-Y140 AromaticContact CZ3-CD2 3.77Å; W131-Y140 HydrophobicContact CZ3-CD2 3.77Å; W131-Y140 HydrophobicContact CZ3-CE2 4.3Å; W131-Y140 AromaticContact CZ3-CG 3.97Å; W131-Y140 HydrophobicContact CZ3-CG 3.97Å; T136-Y140 HydrophobicContact CG2-CD1 3.31Å; T136-Y140 HydrophobicContact CG2-CE1 4.01Å; T136-Y140 HydrophobicContact CG2-CG 3.86Å; P137-Y140 WeakPolarHBondContact O-CB 3.5Å; P137-Y140 PolarHBondContact O-N 2.94Å; P137-Y140 VanDerWaalsContact O-N 3.17Å; T138-Y140 VanDerWaalsContact C-N 3.29Å; T138-Y140 PolarHBondContact O-N 3.42Å; Y140-A143 WeakPolarHBondContact O-CB 3.45Å; Y140-A143 PolarHBondContact O-N 2.98Å; Y140-Q144 HydrophobicContact CD1-CG 3.99Å; Y140-Q144 HydrophobicContact CE1-CG 3.59Å; Y140-Q144 VanDerWaalsContact CZ-NE2 3.27Å; Y140-Q144 WeakPolarHBondContact O-CG 3.4Å; Y140-Q144 PolarHBondContact O-N 3.37Å; Y140-Q144 PolarHBondContact OH-NE2 3.07Å; Y140-Q144 VanDerWaalsContact OH-NE2 3.1Å
141F89.8Confident88.7Confident0 Ų048.3 Ų48.30%026%0.263CS..Hα-helixtrans-64-43176-67.2-64.1000112.8R27 M129 T136 P137 T138 A143 Q144 I145 M150 L158 L160R27-F141 VanDerWaalsContact CZ-CE2 3.41Å; R27-F141 VanDerWaalsContact NH1-CE2 3.27Å; R27-F141 VanDerWaalsContact NH2-CZ 3.3Å; M129-F141 HydrophobicContact CG-CE1 3.44Å; M129-F141 VanDerWaalsContact CG-CE1 3.44Å; M129-F141 HydrophobicContact CG-CZ 3.62Å; M129-F141 HydrophobicContact SD-CE1 3.66Å; M129-F141 HydrophobicContact SD-CZ 3.56Å; M129-F141 VanDerWaalsContact SD-CZ 3.56Å; T136-F141 HydrophobicContact CG2-CD2 4.3Å; T136-F141 HydrophobicContact CG2-CE1 4.09Å; T136-F141 HydrophobicContact CG2-CE2 3.56Å; T136-F141 HydrophobicContact CG2-CZ 3.5Å; T136-F141 VanDerWaalsContact CG2-CZ 3.5Å; T136-F141 WeakPolarHBondContact O-CE2 3.29Å; P137-F141 VanDerWaalsContact O-CD2 3.27Å; P137-F141 WeakPolarHBondContact O-CD2 3.23Å; T138-F141 PolarHBondContact O-N 2.91Å; T138-F141 VanDerWaalsContact O-N 3.13Å; F141-A143 VanDerWaalsContact C-N 3.26Å; F141-A143 PolarHBondContact O-N 3.15Å; F141-Q144 PolarHBondContact O-N 2.64Å; F141-Q144 VanDerWaalsContact O-N 3.15Å; F141-I145 HydrophobicContact CB-CD1 4.48Å; F141-I145 WeakPolarHBondContact O-CB 3.28Å; F141-I145 WeakPolarHBondContact O-CD1 3.5Å; F141-I145 WeakPolarHBondContact O-CG1 3.46Å; F141-I145 PolarHBondContact O-N 3.49Å; F141-M150 HydrophobicContact CB-CE 4.25Å; F141-M150 HydrophobicContact CD1-CE 3.34Å; F141-M150 HydrophobicContact CD1-SD 3.74Å; F141-M150 HydrophobicContact CE1-CE 4.06Å; F141-M150 HydrophobicContact CE1-SD 4.14Å; F141-M150 HydrophobicContact CG-CE 4.19Å; F141-L158 HydrophobicContact CD1-CD1 3.64Å; F141-L158 HydrophobicContact CD2-CD1 4.36Å; F141-L158 HydrophobicContact CE1-CD1 3.47Å; F141-L158 VanDerWaalsContact CE1-CD1 3.47Å; F141-L158 HydrophobicContact CE2-CD1 4.3Å; F141-L158 HydrophobicContact CG-CD1 4.03Å; F141-L158 HydrophobicContact CZ-CD1 3.84Å; F141-L158 HydrophobicContact CZ-CD2 4.26Å; F141-L160 HydrophobicContact CB-CD1 3.68Å; F141-L160 HydrophobicContact CB-CD2 4.35Å; F141-L160 HydrophobicContact CD2-CD2 4.2Å; F141-L160 HydrophobicContact CG-CD1 4.21Å
142F90Very high88.4Confident56 Ų5649.4 Ų49.425%0.24628%0.281CS..Hα-helixtrans-60.6-39.1175.7-73.5-57.2000111.9T138 A139 I145 Q146 F162T138-F142 HydrophobicContact CG2-CD2 3.81Å; T138-F142 HydrophobicContact CG2-CE2 3.3Å; T138-F142 HydrophobicContact CG2-CZ 4.09Å; T138-F142 VanDerWaalsContact O-CD2 3.32Å; T138-F142 WeakPolarHBondContact O-CD2 3.39Å; T138-F142 PolarHBondContact O-N 3.07Å; A139-F142 PolarHBondContact O-N 3.13Å; F142-I145 PolarHBondContact O-N 3.38Å; F142-Q146 WeakPolarHBondContact O-CB 3.3Å; F142-Q146 VanDerWaalsContact O-CG 3.28Å; F142-Q146 WeakPolarHBondContact O-CG 3.17Å; F142-Q146 PolarHBondContact O-N 3.43Å; F142-F162 HydrophobicContact CD1-CE1 4.32Å; F142-F162 AromaticContact CE1-CD1 3.87Å; F142-F162 HydrophobicContact CE1-CD1 3.87Å; F142-F162 AromaticContact CE1-CE1 3.79Å; F142-F162 HydrophobicContact CE1-CE1 3.79Å
143A90.3Very high88.2Confident36 Ų3652.9 Ų52.930%0.29831%0.306SS..Hα-helixtrans-64-39.7174.500000112.6A139 Y140 F141 K147A139-A143 PolarHBondContact O-N 3.46Å; Y140-A143 WeakPolarHBondContact O-CB 3.45Å; Y140-A143 PolarHBondContact O-N 2.98Å; F141-A143 VanDerWaalsContact C-N 3.26Å; F141-A143 PolarHBondContact O-N 3.15Å; A143-K147 VanDerWaalsContact O-CG 3.3Å; A143-K147 WeakPolarHBondContact O-CG 3.46Å; A143-K147 PolarHBondContact O-N 3.26Å
144Q88.5Confident88Confident29 Ų2953.2 Ų53.214%0.13631%0.309CS..Hα-helixtrans-71.7-35.7176.2-64.8-59.7-17.300112.5Y140 F141 K147 C148 T149 M150Y140-Q144 HydrophobicContact CD1-CG 3.99Å; Y140-Q144 HydrophobicContact CE1-CG 3.59Å; Y140-Q144 VanDerWaalsContact CZ-NE2 3.27Å; Y140-Q144 WeakPolarHBondContact O-CG 3.4Å; Y140-Q144 PolarHBondContact O-N 3.37Å; Y140-Q144 PolarHBondContact OH-NE2 3.07Å; Y140-Q144 VanDerWaalsContact OH-NE2 3.1Å; F141-Q144 PolarHBondContact O-N 2.64Å; F141-Q144 VanDerWaalsContact O-N 3.15Å; Q144-K147 CarbonylContact O-C 3.54Å; Q144-K147 PolarHBondContact O-N 3.09Å; Q144-C148 PolarHBondContact O-N 3.24Å; Q144-C148 VanDerWaalsContact O-N 3.14Å; Q144-T149 WeakPolarHBondContact CB-OG1 3.42Å; Q144-T149 PolarHBondContact O-N 3.23Å; Q144-T149 VanDerWaalsContact O-N 3.16Å; Q144-T149 PolarHBondContact O-OG1 3.38Å; Q144-T149 VanDerWaalsContact O-OG1 3.07Å; Q144-T149 PolarHBondContact OE1-OG1 3.5Å; Q144-M150 HydrophobicContact CB-CG 3.49Å; Q144-M150 VanDerWaalsContact CB-CG 3.49Å; Q144-M150 HydrophobicContact CB-SD 4.25Å
145I86.7Confident87.7Confident47 Ų4754 Ų5424%0.24131%0.313CS..Hα-helixtrans-64.8-42.5174.4-68.6163.3000110.4F141 F142 K147 C148 M150 V155 L160 F162F141-I145 HydrophobicContact CB-CD1 4.48Å; F141-I145 WeakPolarHBondContact O-CB 3.28Å; F141-I145 WeakPolarHBondContact O-CD1 3.5Å; F141-I145 WeakPolarHBondContact O-CG1 3.46Å; F141-I145 PolarHBondContact O-N 3.49Å; F142-I145 PolarHBondContact O-N 3.38Å; I145-K147 PolarHBondContact O-N 3.37Å; I145-C148 PolarHBondContact O-N 3.16Å; I145-M150 HydrophobicContact CD1-CE 4.44Å; I145-M150 HydrophobicContact CG1-CE 4.17Å; I145-V155 HydrophobicContact CD1-CG1 4.17Å; I145-V155 HydrophobicContact CD1-CG2 4.01Å; I145-V155 HydrophobicContact CG1-CG2 4.01Å; I145-L160 HydrophobicContact CD1-CD1 3.73Å; I145-F162 HydrophobicContact CD1-CE1 3.97Å; I145-F162 HydrophobicContact CD1-CZ 3.95Å
146Q87.7Confident87.4Confident165 Ų16561.5 Ų61.577%0.77135%0.348SS*.Hα-helixtrans-62.4-30174.8-75.41755.200112.9F142 C148F142-Q146 WeakPolarHBondContact O-CB 3.3Å; F142-Q146 VanDerWaalsContact O-CG 3.28Å; F142-Q146 WeakPolarHBondContact O-CG 3.17Å; F142-Q146 PolarHBondContact O-N 3.43Å; Q146-C148 VanDerWaalsContact C-N 3.31Å
147K90.5Very high87.1Confident143 Ų14369.5 Ų69.562%0.62238%0.383SS*.THydrogen-bonded Turntrans-84.8-2175.1-67.2173.9-177.4-176.60113.5A143 Q144 I145 T149A143-K147 VanDerWaalsContact O-CG 3.3Å; A143-K147 WeakPolarHBondContact O-CG 3.46Å; A143-K147 PolarHBondContact O-N 3.26Å; Q144-K147 CarbonylContact O-C 3.54Å; Q144-K147 PolarHBondContact O-N 3.09Å; I145-K147 PolarHBondContact O-N 3.37Å; K147-T149 HydrophobicContact CB-CG2 3.88Å; K147-T149 PolarHBondContact O-N 2.91Å
148C84.4Confident86.7Confident116 Ų11669.5 Ų69.578%0.78438%0.382SS*.THydrogen-bonded Turntrans55.426.9-175-59.20000114.6Q144 I145 Q146Q144-C148 PolarHBondContact O-N 3.24Å; Q144-C148 VanDerWaalsContact O-N 3.14Å; I145-C148 PolarHBondContact O-N 3.16Å; Q146-C148 VanDerWaalsContact C-N 3.31Å
149T88.1Confident86.3Confident71 Ų7169.2 Ų69.244%0.43639%0.385SS..  trans-87.1-12.6-178.754.60000113.2Q144 K147Q144-T149 WeakPolarHBondContact CB-OG1 3.42Å; Q144-T149 PolarHBondContact O-N 3.23Å; Q144-T149 VanDerWaalsContact O-N 3.16Å; Q144-T149 PolarHBondContact O-OG1 3.38Å; Q144-T149 VanDerWaalsContact O-OG1 3.07Å; Q144-T149 PolarHBondContact OE1-OG1 3.5Å; K147-T149 HydrophobicContact CB-CG2 3.88Å; K147-T149 PolarHBondContact O-N 2.91Å
150M82.9Confident85.9Confident19 Ų1966.8 Ų66.89%0.09436%0.363CS..SBendtrans-102.8134.1-177.2-65.6-120-61.700112.3L128 F141 Q144 I145 V155 L158L128-M150 HydrophobicContact CD1-CB 4.46Å; L128-M150 HydrophobicContact CD1-CG 3.74Å; L128-M150 HydrophobicContact CD1-SD 3.72Å; L128-M150 HydrophobicContact CD2-CG 4.39Å; L128-M150 HydrophobicContact CD2-SD 3.67Å; L128-M150 HydrophobicContact CG-CG 4.28Å; L128-M150 HydrophobicContact CG-SD 3.58Å; L128-M150 VanDerWaalsContact CG-SD 3.58Å; F141-M150 HydrophobicContact CB-CE 4.25Å; F141-M150 HydrophobicContact CD1-CE 3.34Å; F141-M150 HydrophobicContact CD1-SD 3.74Å; F141-M150 HydrophobicContact CE1-CE 4.06Å; F141-M150 HydrophobicContact CE1-SD 4.14Å; F141-M150 HydrophobicContact CG-CE 4.19Å; Q144-M150 HydrophobicContact CB-CG 3.49Å; Q144-M150 VanDerWaalsContact CB-CG 3.49Å; Q144-M150 HydrophobicContact CB-SD 4.25Å; I145-M150 HydrophobicContact CD1-CE 4.44Å; I145-M150 HydrophobicContact CG1-CE 4.17Å; M150-V155 HydrophobicContact CB-CG2 4.45Å; M150-V155 HydrophobicContact CE-CG2 3.95Å; M150-L158 HydrophobicContact CE-CD1 3.99Å
151P85.9Confident85.5Confident68 Ų6871.9 Ų71.944%0.44239%0.386SS..  trans-64139.6170.4-21.732.9000112.8S153 V154 V155P151-S153 PolarHBondContact O-N 2.8Å; P151-V154 HydrophobicContact CB-CG2 4.33Å; P151-V154 PolarHBondContact O-N 3.28Å; P151-V154 VanDerWaalsContact O-N 3.16Å; P151-V155 PolarHBondContact O-N 3.38Å
152S82.4Confident84.9Confident89 Ų8976.7 Ų76.762%0.62241%0.407SS*.Hα-helixtrans-60.7-30.9179.961.20000113.3V154 V155 H156S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 3.46Å; S152-V155 WeakPolarHBondContact O-CB 3.41Å; S152-V155 PolarHBondContact O-N 3.16Å; S152-H156 PolarHBondContact O-N 3.22Å; S152-H156 PolarHBondContact O-ND1 3.18Å
153S84.6Confident84.2Confident73 Ų7378.7 Ų78.751%0.5143%0.425SS..Hα-helixtrans-62-34.8177.3610000113P151P151-S153 PolarHBondContact O-N 2.8Å
154V84.6Confident83.2Confident37 Ų3786.7 Ų86.722%0.22445%0.453CS..Hα-helixtrans-75-39.8178.4-178.30000110.3L128 P151 S152 H156 K157 L158L128-V154 HydrophobicContact CD2-CG1 4.41Å; P151-V154 HydrophobicContact CB-CG2 4.33Å; P151-V154 PolarHBondContact O-N 3.28Å; P151-V154 VanDerWaalsContact O-N 3.16Å; S152-V154 VanDerWaalsContact C-N 3.29Å; S152-V154 PolarHBondContact O-N 3.46Å; V154-H156 VanDerWaalsContact C-N 3.31Å; V154-H156 PolarHBondContact O-N 3.07Å; V154-K157 PolarHBondContact O-N 3.16Å; V154-K157 VanDerWaalsContact O-N 3.09Å; V154-L158 HydrophobicContact CG1-CD1 4.17Å; V154-L158 HydrophobicContact CG1-CG 4.33Å; V154-L158 WeakPolarHBondContact O-CG 3.45Å; V154-L158 PolarHBondContact O-N 3.01Å; V154-L158 VanDerWaalsContact O-N 3.16Å
155V84.7Confident81.7Confident17 Ų1790.6 Ų90.610%0.10348%0.479CS..Hα-helixtrans-56.6-44.2-179.6174.10000112I145 M150 P151 S152 K157 L158 L160 F162I145-V155 HydrophobicContact CD1-CG1 4.17Å; I145-V155 HydrophobicContact CD1-CG2 4.01Å; I145-V155 HydrophobicContact CG1-CG2 4.01Å; M150-V155 HydrophobicContact CB-CG2 4.45Å; M150-V155 HydrophobicContact CE-CG2 3.95Å; P151-V155 PolarHBondContact O-N 3.38Å; S152-V155 WeakPolarHBondContact O-CB 3.41Å; S152-V155 PolarHBondContact O-N 3.16Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.14Å; V155-L158 PolarHBondContact O-N 2.74Å; V155-L160 HydrophobicContact CG1-CD1 4.5Å; V155-F162 HydrophobicContact CG1-CE1 4.47Å; V155-F162 HydrophobicContact CG1-CE2 3.68Å; V155-F162 HydrophobicContact CG1-CZ 3.31Å
156H82.1Confident80.2Confident157 Ų15791 Ų9173%0.72750%0.495SS*.Hα-helixtrans-63.8-37178.1-70.786000112.5S152 V154S152-H156 PolarHBondContact O-N 3.22Å; S152-H156 PolarHBondContact O-ND1 3.18Å; V154-H156 VanDerWaalsContact C-N 3.31Å; V154-H156 PolarHBondContact O-N 3.07Å
157K84.8Confident78.7Confident168 Ų16891.1 Ų91.173%0.7349%0.493SS*.Hα-helixtrans-72.4-28.6-179.5-67.5-178.9-178.2-178.10113.1V154 V155 G159V154-K157 PolarHBondContact O-N 3.16Å; V154-K157 VanDerWaalsContact O-N 3.09Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 3.14Å; K157-G159 VanDerWaalsContact C-N 3.25Å; K157-G159 PolarHBondContact O-N 2.88Å
158L83.4Confident77Confident13 Ų1395.2 Ų95.27%0.06850%0.504CS..Hα-helixtrans-72.2-16.3-179.6-69.8173.8000113.5M129 F141 M150 V154 V155 L160M129-L158 HydrophobicContact SD-CD2 4.08Å; F141-L158 HydrophobicContact CD1-CD1 3.64Å; F141-L158 HydrophobicContact CD2-CD1 4.36Å; F141-L158 HydrophobicContact CE1-CD1 3.47Å; F141-L158 VanDerWaalsContact CE1-CD1 3.47Å; F141-L158 HydrophobicContact CE2-CD1 4.3Å; F141-L158 HydrophobicContact CG-CD1 4.03Å; F141-L158 HydrophobicContact CZ-CD1 3.84Å; F141-L158 HydrophobicContact CZ-CD2 4.26Å; M150-L158 HydrophobicContact CE-CD1 3.99Å; V154-L158 HydrophobicContact CG1-CD1 4.17Å; V154-L158 HydrophobicContact CG1-CG 4.33Å; V154-L158 WeakPolarHBondContact O-CG 3.45Å; V154-L158 PolarHBondContact O-N 3.01Å; V154-L158 VanDerWaalsContact O-N 3.16Å; V155-L158 PolarHBondContact O-N 2.74Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 HydrophobicContact CB-CD1 4.35Å; L158-L160 HydrophobicContact CB-CD2 4.33Å; L158-L160 HydrophobicContact CB-CG 3.9Å; L158-L160 HydrophobicContact CD1-CD1 4.28Å; L158-L160 PolarHBondContact O-N 3.22Å
159G80.9Confident75.7Confident23 Ų2396.4 Ų96.424%0.23749%0.492CS..THydrogen-bonded Turntrans66.931.8-179.900000113.6F97 K157 K161F97-G159 WeakPolarHBondContact CE2-O 3.49Å; K157-G159 VanDerWaalsContact C-N 3.25Å; K157-G159 PolarHBondContact O-N 2.88Å; G159-K161 PolarHBondContact O-N 2.71Å
160L80.9Confident74.3Confident19 Ų19100.9 Ų100.910%0.09951%0.513CS..  trans-68.1131179.9-58.8173.6000110.5T138 F141 I145 V155 L158 F162T138-L160 HydrophobicContact CG2-CD2 3.71Å; F141-L160 HydrophobicContact CB-CD1 3.68Å; F141-L160 HydrophobicContact CB-CD2 4.35Å; F141-L160 HydrophobicContact CD2-CD2 4.2Å; F141-L160 HydrophobicContact CG-CD1 4.21Å; I145-L160 HydrophobicContact CD1-CD1 3.73Å; V155-L160 HydrophobicContact CG1-CD1 4.5Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 HydrophobicContact CB-CD1 4.35Å; L158-L160 HydrophobicContact CB-CD2 4.33Å; L158-L160 HydrophobicContact CB-CG 3.9Å; L158-L160 HydrophobicContact CD1-CD1 4.28Å; L158-L160 PolarHBondContact O-N 3.22Å; L160-F162 HydrophobicContact CB-CE2 4.04Å; L160-F162 HydrophobicContact CB-CZ 4.08Å; L160-F162 HydrophobicContact CD1-CZ 4.42Å; L160-F162 WeakPolarHBondContact O-CD2 3.47Å; L160-F162 PolarHBondContact O-N 2.73Å
161K81.9Confident73.5Confident163 Ų163109.1 Ų109.171%0.70954%0.544SS*.  trans-82.998.8174.8-67.8-175.1-179.1177.10109.3G159G159-K161 PolarHBondContact O-N 2.71Å
162F78Confident72.8Confident102 Ų102110.6 Ų110.645%0.44756%0.556SS.*  trans-68.5128.3171.2-65.9-79.8000109.2F142 I145 V155 L160 K164F142-F162 HydrophobicContact CD1-CE1 4.32Å; F142-F162 AromaticContact CE1-CD1 3.87Å; F142-F162 HydrophobicContact CE1-CD1 3.87Å; F142-F162 AromaticContact CE1-CE1 3.79Å; F142-F162 HydrophobicContact CE1-CE1 3.79Å; I145-F162 HydrophobicContact CD1-CE1 3.97Å; I145-F162 HydrophobicContact CD1-CZ 3.95Å; V155-F162 HydrophobicContact CG1-CE1 4.47Å; V155-F162 HydrophobicContact CG1-CE2 3.68Å; V155-F162 HydrophobicContact CG1-CZ 3.31Å; L160-F162 HydrophobicContact CB-CE2 4.04Å; L160-F162 HydrophobicContact CB-CZ 4.08Å; L160-F162 HydrophobicContact CD1-CZ 4.42Å; L160-F162 WeakPolarHBondContact O-CD2 3.47Å; L160-F162 PolarHBondContact O-N 2.73Å; F162-K164 PolarHBondContact O-N 3.06Å
163P75.3Confident72.2Confident97 Ų97113.3 Ų113.363%0.6356%0.559SS**  trans-54.3124.6165.823.6-30.3000106.2V165P163-V165 PolarHBondContact O-N 3.35Å
164K68.5Low71.3Confident205 Ų205115.2 Ų115.289%0.89157%0.567SS**  trans-63.489.9167.4-67.4-177.8-177.6179.90104.7F162 G166F162-K164 PolarHBondContact O-N 3.06Å; K164-G166 PolarHBondContact O-N 2.8Å
165V58.5Low70.2Confident110 Ų110121.4 Ų121.467%0.66759%0.594SS**  trans-6391.4159.7-175.80000101.9P163 K167P163-V165 PolarHBondContact O-N 3.35Å; V165-K167 WeakPolarHBondContact O-CA 3.16Å; V165-K167 PolarHBondContact O-N 3.02Å
166G54.1Low69.2Low56 Ų56129.3 Ų129.358%0.57762%0.623SS**  trans-48113-178.900000104.3K164 R168K164-G166 PolarHBondContact O-N 2.8Å; G166-R168 PolarHBondContact O-N 3.34Å
167K55.3Low68.3Low167 Ų167128.9 Ų128.973%0.72662%0.621SS**  trans-39.290.2-162.1-74.3179.2-177.5178.10109.2V165 R169V165-K167 WeakPolarHBondContact O-CA 3.16Å; V165-K167 PolarHBondContact O-N 3.02Å; K167-R169 HydrophobicContact CB-CG 4.05Å; K167-R169 PolarHBondContact O-N 3.32Å
168R56.2Low67.4Low230 Ų230128.9 Ų128.987%0.86862%0.618SS**  trans-78.455.2168.4-84.1-176.5151.3172-5.5105G166 L170G166-R168 PolarHBondContact O-N 3.34Å; R168-L170 PolarHBondContact O-N 3.25Å; R168-L170 VanDerWaalsContact O-N 3.09Å
169R56.5Low66.6Low141 Ų141135.4 Ų135.453%0.53265%0.653SS.*  trans-60.9118.7165.1-65.2168.3103.1171.22.7102.5K167 Y171 E173K167-R169 HydrophobicContact CB-CG 4.05Å; K167-R169 PolarHBondContact O-N 3.32Å; R169-Y171 WeakPolarHBondContact CB-O 3.47Å; R169-Y171 PolarHBondContact O-N 2.84Å; R169-E173 IonicContact NH1-OE2 3.4Å; R169-E173 PolarHBondContact NH1-OE2 2.71Å; R169-E173 VanDerWaalsContact NH1-OE2 3.13Å
170L58.1Low65.3Low165 Ų165143.7 Ų143.786%0.86468%0.678SS**SBendtrans-54-16.7166.3-85.9122.9000111.2R168R168-L170 PolarHBondContact O-N 3.25Å; R168-L170 VanDerWaalsContact O-N 3.09Å
171Y67.9Low63.9Low191 Ų191147 Ų14775%0.74971%0.708SS**SBendtrans-114.4115.5175.3-50.3-70.6000110R169R169-Y171 WeakPolarHBondContact CB-O 3.47Å; R169-Y171 PolarHBondContact O-N 2.84Å
172S70Confident62.2Low100 Ų100148.3 Ų148.370%0.69971%0.713SS**  trans-61.8147.2167.851.30000109.9V174S172-V174 PolarHBondContact O-N 3.12Å; S172-V174 VanDerWaalsContact O-N 3.11Å
173E69.3Low60.7Low146 Ų146153.9 Ų153.968%0.68273%0.732SS**  trans-62.6112.4164-167.7160.1171.200106.9R169 E175R169-E173 IonicContact NH1-OE2 3.4Å; R169-E173 PolarHBondContact NH1-OE2 2.71Å; R169-E173 VanDerWaalsContact NH1-OE2 3.13Å; E173-E175 PolarHBondContact O-N 3.01Å
174V65.8Low59.2Low113 Ų113160 Ų16069%0.68574%0.742SS**  trans-68.1121.2173.2178.60000106S172 Y176S172-V174 PolarHBondContact O-N 3.12Å; S172-V174 VanDerWaalsContact O-N 3.11Å; V174-Y176 VanDerWaalsContact C-N 3.33Å; V174-Y176 PolarHBondContact O-N 2.84Å
175E62.3Low57.9Low167 Ų167158.7 Ų158.778%0.7874%0.737SS**  trans-59.898.2172.8-72.3-179.8164.200108.4E173 H177E173-E175 PolarHBondContact O-N 3.01Å; E175-H177 PolarHBondContact O-N 2.61Å
176Y64.1Low57Low182 Ų182164.2 Ų164.271%0.71475%0.745SS**  trans-91.6101.4174.3-140.7-90.3000107.5V174 Y178V174-Y176 VanDerWaalsContact C-N 3.33Å; V174-Y176 PolarHBondContact O-N 2.84Å; Y176-Y178 PolarHBondContact O-N 3.08Å; Y176-Y178 VanDerWaalsContact O-N 3.14Å
177H62.6Low56.2Low149 Ų149170.1 Ų170.169%0.6976%0.755SS**  trans-71.8106.1168.6-75-63.3000108E175 D179E175-H177 PolarHBondContact O-N 2.61Å; H177-D179 VanDerWaalsContact C-N 3.33Å; H177-D179 PolarHBondContact O-N 3.35Å
178Y66.9Low55.5Low168 Ų168168 Ų16866%0.65976%0.756SS**  trans-62.9103162-67-79.8000107.1Y176 Y180Y176-Y178 PolarHBondContact O-N 3.08Å; Y176-Y178 VanDerWaalsContact O-N 3.14Å; Y178-Y180 VanDerWaalsContact O-CD2 3.31Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.18Å; Y178-Y180 PolarHBondContact O-N 3.4Å
179D65.1Low54.4Low149 Ų149163 Ų16380%0.79775%0.746SS**  trans-62.492.3159.3-74.8-37.3000106H177 A181H177-D179 VanDerWaalsContact C-N 3.33Å; H177-D179 PolarHBondContact O-N 3.35Å; D179-A181 PolarHBondContact O-N 3.1Å
180Y54.6Low53.4Low198 Ų198158.9 Ų158.978%0.77675%0.748SS**  trans-63.178.9158.3-62.4-80.1000105.6Y178 K182Y178-Y180 VanDerWaalsContact O-CD2 3.31Å; Y178-Y180 WeakPolarHBondContact O-CD2 3.18Å; Y178-Y180 PolarHBondContact O-N 3.4Å; Y180-K182 PolarHBondContact O-N 2.95Å
181A51.2Low52.2Low87 Ų87158.2 Ų158.272%0.71975%0.745SS**  trans-56.297.4168.500000104.7D179 R183D179-A181 PolarHBondContact O-N 3.1Å; A181-R183 PolarHBondContact O-N 3.27Å
182K46.9Very low50.6Low191 Ų191160.3 Ų160.383%0.8375%0.752SS**  trans-46.2107.9178.4-79.7175.4176172.30105.7Y180 R184Y180-K182 PolarHBondContact O-N 2.95Å; K182-R184 PolarHBondContact O-N 2.94Å
183R46.6Very low48.9Very low219 Ų219164.4 Ų164.483%0.82676%0.76SS**  trans-56.295.3175.9-158.8171.982131.40.2105.5A181 K185A181-R183 PolarHBondContact O-N 3.27Å; R183-K185 PolarHBondContact O-N 3.22Å
184R43.7Very low47Very low226 Ų226165.2 Ų165.285%0.85377%0.769SS**  trans-64.996.4179.2-66.6-176.484.8120.5-1.9104.3K182 R186K182-R184 PolarHBondContact O-N 2.94Å; R184-R186 PolarHBondContact O-N 2.81Å
185K40.6Very low45.5Very low178 Ų178166 Ų16677%0.77477%0.774SS**  trans-57.592.7164.3-78.5-175.2174.8-179.20105.5R183 K187R183-K185 PolarHBondContact O-N 3.22Å; K185-K187 PolarHBondContact O-N 3.02Å
186R40Very low43.8Very low226 Ų226163.3 Ų163.385%0.85377%0.774SS**  trans-66.793.8167.5-73.3178.374.2109.1-2.3105.2R184 V188R184-R186 PolarHBondContact O-N 2.81Å; R186-V188 PolarHBondContact O-N 3.39Å
187K35.9Very low42.3Very low179 Ų179159.7 Ų159.778%0.77878%0.775SS**  trans-72.799.8169.1-167.3175.9-178.1177.80105.6K185 N189K185-K187 PolarHBondContact O-N 3.02Å; K187-N189 PolarHBondContact O-N 3.14Å
188V41.1Very low40.5Very low124 Ų124156.7 Ų156.775%0.75277%0.77SS**  trans-75.797.7173.9177.40000106.1R186 G190R186-V188 PolarHBondContact O-N 3.39Å; V188-G190 PolarHBondContact O-N 3.12Å
189N33.7Very low38.7Very low124 Ų124156.9 Ų156.966%0.66378%0.777SS**  trans-82.192.9160.1-71.1-0.3000105.3K187K187-N189 PolarHBondContact O-N 3.14Å
190G34.6Very low37.3Very low54 Ų54158 Ų15856%0.55778%0.778SS**  trans-107.899.216700000106.3V188 R192V188-G190 PolarHBondContact O-N 3.12Å; G190-R192 PolarHBondContact O-N 3.33Å
191D32.9Very low36.3Very low151 Ų151156.1 Ų156.181%0.80778%0.781SS**  trans-59.1119174-61.3-53000108E193D191-E193 PolarHBondContact O-N 3.31Å
192R35.4Very low35.5Very low236 Ų236159.2 Ų159.289%0.89179%0.785SS**  trans-76.2108.7176.1-79.1179.7169.9106-4.3107.2G190G190-R192 PolarHBondContact O-N 3.33Å
193E34.3Very low35Very low185 Ų185158.2 Ų158.286%0.86478%0.783SS**  trans-78.3123.6164-71.7-177.416900108.6D191 T195D191-E193 PolarHBondContact O-N 3.31Å; E193-T195 PolarHBondContact O-N 3.08Å; E193-T195 VanDerWaalsContact O-N 3.16Å
194D28.6Very low34.6Very low164 Ų164153.6 Ų153.688%0.87778%0.78SS**  trans-62.1104.6176.4-63.8-52.6000110.1
195T33.8Very low34.4Very low129 Ų129150.8 Ų150.879%0.79178%0.776SS**  trans-110.593158.8-158.40000108.5E193 S197E193-T195 PolarHBondContact O-N 3.08Å; E193-T195 VanDerWaalsContact O-N 3.16Å; T195-S197 PolarHBondContact O-N 2.82Å
196S26.6Very low34.5Very low111 Ų111149.7 Ų149.778%0.77678%0.779SS**  trans-67.9104.7164.2156.50000108.5
197S32.9Very low34.7Very low105 Ų105147.1 Ų147.173%0.73478%0.776SS**  trans-131.392155.656.70000107.2T195T195-S197 PolarHBondContact O-N 2.82Å
198S24.6Very low34.9Very low86 Ų86141.2 Ų141.260%0.60177%0.766SS**  trans-69.3160.8163.245.90000110.6
199E30.1Very low35.3Very low172 Ų172141.4 Ų141.480%0.80477%0.77SS**  trans84.5118.4172.7-50.2167-157.400110.8
200E36.1Very low36Very low172 Ų172139.5 Ų139.580%0.80477%0.767SS**  cis-148.7131.941-67.5169.9164.600110.4L202E200-L202 PolarHBondContact O-N 3.09Å
201D31.8Very low37.1Very low160 Ų160145 Ų14586%0.85678%0.783SS**  trans-67108.7171.6-61.7-60.3000109.9
202L36.1Very low38.4Very low151 Ų151144.9 Ų144.979%0.79178%0.778SS**  trans-107.486.8162.5-88165.6000108E200 T204E200-L202 PolarHBondContact O-N 3.09Å; L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.39Å
203E36.1Very low39.8Very low171 Ų171138.9 Ų138.980%0.79976%0.764SS**  trans-56.192.9165.2-66.3174.1167.900108.6
204T37Very low41.6Very low122 Ų122137.3 Ų137.375%0.74876%0.76SS**  trans-100.196.4163.2-37.90000105.3L202 D206L202-T204 VanDerWaalsContact C-N 3.31Å; L202-T204 PolarHBondContact O-N 3.39Å; T204-D206 PolarHBondContact O-N 3.01Å
205E39.9Very low43.6Very low167 Ų167131.2 Ų131.278%0.7873%0.73SS**  trans-55.688.6164.5-65.8-83.9153.200107.6E207E205-E207 VanDerWaalsContact C-N 3.28Å; E205-E207 PolarHBondContact O-N 3.48Å; E205-E207 VanDerWaalsContact O-N 3.07Å
206D43.4Very low45.6Very low154 Ų154131 Ų13182%0.82472%0.72SS**  trans-78.188.4170.8-168.239.6000106.6T204 G208T204-D206 PolarHBondContact O-N 3.01Å; D206-G208 PolarHBondContact O-N 2.97Å; D206-G208 VanDerWaalsContact O-N 3.09Å
207E44.2Very low47.9Very low172 Ų172133 Ų13380%0.80472%0.717SS**  trans-38.4113.3170.6-70.1-100.417200109.5E205E205-E207 VanDerWaalsContact C-N 3.28Å; E205-E207 PolarHBondContact O-N 3.48Å; E205-E207 VanDerWaalsContact O-N 3.07Å
208G40.2Very low49.7Very low55 Ų55137 Ų13757%0.56772%0.716SS**  trans-52.1146.3179.200000111.1D206 S210D206-G208 PolarHBondContact O-N 2.97Å; D206-G208 VanDerWaalsContact O-N 3.09Å; G208-S210 PolarHBondContact O-N 2.94Å
209P48.9Very low52.3Low128 Ų128137.7 Ų137.783%0.83171%0.71SS**  trans-51.7117.9-174.721.5-32.8000109.8D211P209-D211 PolarHBondContact O-N 3.35Å
210S47.9Very low54.6Low85 Ų85134.9 Ų134.959%0.59469%0.692SS**  trans-38.7118.7176.9-1760000110.8G208 E212G208-S210 PolarHBondContact O-N 2.94Å; S210-E212 PolarHBondContact O-N 3.29Å; S210-E212 WeakPolarHBondContact OG-CG 2.81Å
211D58.5Low56.6Low170 Ų170131.3 Ų131.391%0.90968%0.675SS**  trans-63.320.5175.5-104.9-11.4000113.2P209 D213P209-D211 PolarHBondContact O-N 3.35Å; D211-D213 VanDerWaalsContact C-N 3.32Å; D211-D213 PolarHBondContact O-N 3.18Å
212E59.1Low58.6Low148 Ų148129.2 Ų129.269%0.69266%0.66SS**  trans-74.590.4172.1-74.8-177.6178.200108.4S210 L214S210-E212 PolarHBondContact O-N 3.29Å; S210-E212 WeakPolarHBondContact OG-CG 2.81Å; E212-L214 PolarHBondContact O-N 3.25Å
213D66.8Low60.4Low110 Ų110125.5 Ų125.559%0.58865%0.651SS**  trans-52.584.1168.3-178.529000110.5D211 C215 R220D211-D213 VanDerWaalsContact C-N 3.32Å; D211-D213 PolarHBondContact O-N 3.18Å; D213-C215 PolarHBondContact O-N 3.3Å; D213-C215 WeakPolarHBondContact OD1-CB 3.42Å; D213-C215 PolarHBondContact OD1-N 2.94Å; D213-R220 IonicContact OD2-NH1 2.85Å; D213-R220 PolarHBondContact OD2-NH1 2.93Å
214L71.4Confident61.9Low152 Ų152126.5 Ų126.580%0.79665%0.653SS**  trans-72.55.3174.5-76.9173.7000112.4E212 E216E212-L214 PolarHBondContact O-N 3.25Å; L214-E216 PolarHBondContact O-N 2.89Å
215C71.2Confident63.2Low36 Ų36126.8 Ų126.824%0.24364%0.64CS.*  trans-60.9110.8-179.3-158.60000108.8D213 E219 R220D213-C215 PolarHBondContact O-N 3.3Å; D213-C215 WeakPolarHBondContact OD1-CB 3.42Å; D213-C215 PolarHBondContact OD1-N 2.94Å; C215-E219 VanDerWaalsContact CA-OE2 3.31Å; C215-E219 WeakPolarHBondContact CA-OE2 3.44Å; C215-E219 WeakPolarHBondContact SG-CB 3.45Å; C215-E219 PolarHBondContact SG-OE2 3.49Å; C215-R220 HydrophobicContact CB-CG 4.4Å
216E74.4Confident64Low124 Ų124126 Ų12658%0.57964%0.636SS**  trans-59.6155.3-177.3-65.4-171.7177.400109.4L214 W218 E219 R220L214-E216 PolarHBondContact O-N 2.89Å; E216-W218 PolarHBondContact O-N 3.31Å; E216-E219 HydrophobicContact CB-CG 4.43Å; E216-E219 PolarHBondContact N-OE2 2.72Å; E216-E219 PolarHBondContact O-N 3.4Å; E216-R220 PolarHBondContact O-N 3.34Å
217E75.6Confident64.6Low152 Ų152122.9 Ų122.971%0.7162%0.62SS**Hα-helixtrans-55.7-27.8176.9-71.3-179.7169.500112.4H221E217-H221 WeakPolarHBondContact O-CB 3.49Å; E217-H221 PolarHBondContact O-N 2.82Å
218W70.8Confident65.3Low191 Ų191120.8 Ų120.872%0.72362%0.623SS**Hα-helixtrans-66.5-46.3173.5-65.2100.9000112.6E216 H221 E222E216-W218 PolarHBondContact O-N 3.31Å; W218-H221 CarbonylContact O-C 3.55Å; W218-H221 PolarHBondContact O-N 3.13Å; W218-H221 VanDerWaalsContact O-N 3.15Å; W218-E222 WeakPolarHBondContact O-CB 3.3Å; W218-E222 WeakPolarHBondContact O-CG 3.45Å; W218-E222 PolarHBondContact O-N 2.89Å
219E78.4Confident66Low99 Ų99121.3 Ų121.346%0.46363%0.629SS.*Hα-helixtrans-66.3-39.6178-64.6-179.8168.200110.9C215 E216 H221 E222 A223C215-E219 VanDerWaalsContact CA-OE2 3.31Å; C215-E219 WeakPolarHBondContact CA-OE2 3.44Å; C215-E219 WeakPolarHBondContact SG-CB 3.45Å; C215-E219 PolarHBondContact SG-OE2 3.49Å; E216-E219 HydrophobicContact CB-CG 4.43Å; E216-E219 PolarHBondContact N-OE2 2.72Å; E216-E219 PolarHBondContact O-N 3.4Å; E219-H221 VanDerWaalsContact C-N 3.33Å; E219-H221 PolarHBondContact O-N 2.98Å; E219-E222 PolarHBondContact O-N 2.89Å; E219-A223 WeakPolarHBondContact O-CB 3.44Å; E219-A223 PolarHBondContact O-N 2.93Å
220R79.4Confident66.5Low114 Ų114120.5 Ų120.543%0.4361%0.612SS.*Hα-helixtrans-62.8-38.9170.8-77.6-166.7-69.5-117.7-4.6112.5D213 C215 E216 F224D213-R220 IonicContact OD2-NH1 2.85Å; D213-R220 PolarHBondContact OD2-NH1 2.93Å; C215-R220 HydrophobicContact CB-CG 4.4Å; E216-R220 PolarHBondContact O-N 3.34Å; R220-F224 PolarHBondContact O-N 3.06Å
221H77.9Confident66.7Low96 Ų96125.1 Ų125.144%0.44462%0.624SS.*Hα-helixtrans-74.2-32.4179.1-168.6-91000112E217 W218 E219 R225E217-H221 WeakPolarHBondContact O-CB 3.49Å; E217-H221 PolarHBondContact O-N 2.82Å; W218-H221 CarbonylContact O-C 3.55Å; W218-H221 PolarHBondContact O-N 3.13Å; W218-H221 VanDerWaalsContact O-N 3.15Å; E219-H221 VanDerWaalsContact C-N 3.33Å; E219-H221 PolarHBondContact O-N 2.98Å; H221-R225 PolarHBondContact CE1-NE 3.38Å; H221-R225 VanDerWaalsContact CE1-NE 3.27Å; H221-R225 PolarHBondContact NE2-NE 2.84Å; H221-R225 PolarHBondContact NE2-NH2 3.01Å; H221-R225 VanDerWaalsContact NE2-NH2 3.11Å; H221-R225 WeakPolarHBondContact O-CB 3.31Å; H221-R225 WeakPolarHBondContact O-CG 3.5Å; H221-R225 PolarHBondContact O-N 3.41Å
222E72.6Confident66.6Low117 Ų117124.5 Ų124.555%0.54762%0.616SS.*Hα-helixtrans-65.8-50.1170.7-76.9-174.4167.400110.8W218 E219 F224 R225 E226W218-E222 WeakPolarHBondContact O-CB 3.3Å; W218-E222 WeakPolarHBondContact O-CG 3.45Å; W218-E222 PolarHBondContact O-N 2.89Å; E219-E222 PolarHBondContact O-N 2.89Å; E222-F224 PolarHBondContact O-N 3.37Å; E222-R225 CarbonylContact O-C 3.41Å; E222-R225 WeakPolarHBondContact O-CA 3.32Å; E222-R225 PolarHBondContact O-N 3.24Å; E222-E226 WeakPolarHBondContact O-CG 3.32Å; E222-E226 PolarHBondContact O-N 3.11Å
223A74.5Confident66.6Low72 Ų72125.9 Ų125.960%0.59562%0.615SS**Hα-helixtrans-57-35.4179.100000113.3E219 R225E219-A223 WeakPolarHBondContact O-CB 3.44Å; E219-A223 PolarHBondContact O-N 2.93Å; A223-R225 VanDerWaalsContact C-N 3.3Å; A223-R225 PolarHBondContact O-N 2.73Å
224F67.4Low66.5Low192 Ų192127.1 Ų127.184%0.84262%0.62SS**THydrogen-bonded Turntrans-75.2-14.9174.9-103.3-78000114.5R220 E222R220-F224 PolarHBondContact O-N 3.06Å; E222-F224 PolarHBondContact O-N 3.37Å
225R65.2Low66.3Low128 Ų128125.7 Ų125.748%0.48361%0.614SS.*THydrogen-bonded Turntrans-119.40.5-172.6-61.2-92.4-157.3-163.42113.3H221 E222 A223 D227 R233H221-R225 PolarHBondContact CE1-NE 3.38Å; H221-R225 VanDerWaalsContact CE1-NE 3.27Å; H221-R225 PolarHBondContact NE2-NE 2.84Å; H221-R225 PolarHBondContact NE2-NH2 3.01Å; H221-R225 VanDerWaalsContact NE2-NH2 3.11Å; H221-R225 WeakPolarHBondContact O-CB 3.31Å; H221-R225 WeakPolarHBondContact O-CG 3.5Å; H221-R225 PolarHBondContact O-N 3.41Å; E222-R225 CarbonylContact O-C 3.41Å; E222-R225 WeakPolarHBondContact O-CA 3.32Å; E222-R225 PolarHBondContact O-N 3.24Å; A223-R225 VanDerWaalsContact C-N 3.3Å; A223-R225 PolarHBondContact O-N 2.73Å; R225-D227 PolarHBondContact O-N 3.31Å; R225-R233 PolarHBondContact O-NH2 3.41Å
226E56.9Low66.2Low150 Ų150131.3 Ų131.370%0.70164%0.636SS**  trans-7083.3169.9-78.9-167.216500109.1E222 C228E222-E226 WeakPolarHBondContact O-CG 3.32Å; E222-E226 PolarHBondContact O-N 3.11Å; E226-C228 PolarHBondContact O-N 2.95Å; E226-C228 VanDerWaalsContact O-N 3.1Å
227D55.8Low66.1Low90 Ų90134.2 Ų134.248%0.48164%0.642SS.*  trans-7199.5162.4-99.1-33.8000107.8R225 G229 K230R225-D227 PolarHBondContact O-N 3.31Å; D227-G229 PolarHBondContact O-N 2.98Å; D227-K230 PolarHBondContact O-N 2.8Å
228C57.9Low66.1Low127 Ų127128.1 Ų128.186%0.85861%0.614SS**THydrogen-bonded Turntrans-56.2-7.6177.1590000114.7E226E226-C228 PolarHBondContact O-N 2.95Å; E226-C228 VanDerWaalsContact O-N 3.1Å
229G56.6Low66.4Low67 Ų67128.7 Ų128.769%0.69162%0.618SS**THydrogen-bonded Turntrans-97.6-19.7-178.800000117D227D227-G229 PolarHBondContact O-N 2.98Å
230K57.8Low66.4Low111 Ų111128.1 Ų128.148%0.48362%0.615SS.*  trans-147.568.4-171.5-65.3-177.1-178.8176.60111.7D227 E232 R233 E242D227-K230 PolarHBondContact O-N 2.8Å; K230-E232 VanDerWaalsContact C-N 3.33Å; K230-E232 PolarHBondContact O-N 3.21Å; K230-R233 PolarHBondContact O-N 2.95Å; K230-E242 IonicContact NZ-OE1 3.8Å
231Q52.3Low66.1Low181 Ų181128.8 Ų128.885%0.84663%0.627SS**THydrogen-bonded Turntrans-60.1-28-169-96.4160.3-40.300116.1
232E56.3Low66.1Low157 Ų157131.1 Ų131.173%0.73464%0.638SS**THydrogen-bonded Turntrans-87.5-5.7-175.1-65.7-164.9156.500115.2K230 L234K230-E232 VanDerWaalsContact C-N 3.33Å; K230-E232 PolarHBondContact O-N 3.21Å; E232-L234 HydrophobicContact CB-CD1 4.14Å; E232-L234 HydrophobicContact CB-CG 3.96Å; E232-L234 PolarHBondContact O-N 3.07Å; E232-L234 WeakPolarHBondContact OE2-CD1 3.43Å
233R60.4Low66.1Low177 Ų177130.7 Ų130.767%0.66864%0.638SS**  trans47.726.1-179-62.7-176.4175.21503.5114.8R225 K230 N235R225-R233 PolarHBondContact O-NH2 3.41Å; K230-R233 PolarHBondContact O-N 2.95Å; R233-N235 PolarHBondContact O-N 3Å
234L62.9Low65.9Low136 Ų136135.6 Ų135.671%0.71265%0.648SS**  trans-70.9-23.4178.2-65.8175.2000112.1E232E232-L234 HydrophobicContact CB-CD1 4.14Å; E232-L234 HydrophobicContact CB-CG 3.96Å; E232-L234 PolarHBondContact O-N 3.07Å; E232-L234 WeakPolarHBondContact OE2-CD1 3.43Å
235N67.8Low66.1Low122 Ų122129.3 Ų129.365%0.65262%0.623SS**SBendtrans-106.5141.6-177.4-61.1-17.6000110.8R233R233-N235 PolarHBondContact O-N 3Å
236E69.3Low66.2Low154 Ų154128.4 Ų128.472%0.7263%0.631SS**PPolyproline II helixtrans-59.6139.2174.5-66.5-175.6174.400110.7L238E236-L238 PolarHBondContact O-N 3.06Å
237R71.6Confident66.7Low186 Ų186131.2 Ų131.270%0.70264%0.636SS**PPolyproline II helixtrans-66.7130.3-179.5-177.9176.9178.3172.45.8109.9
238L75.6Confident67.2Low24 Ų24134.2 Ų134.213%0.12665%0.647CS.*PPolyproline II helixtrans-73.6136.3173.1-60.8169.8000109.7E236 E240 E242 A260 W263E236-L238 PolarHBondContact O-N 3.06Å; L238-E240 WeakPolarHBondContact CB-O 2.91Å; L238-E242 HydrophobicContact CD1-CG 4.28Å; L238-A260 HydrophobicContact CD1-CB 3.68Å; L238-A260 HydrophobicContact CD2-CB 4.19Å; L238-A260 HydrophobicContact CG-CB 4.45Å; L238-W263 HydrophobicContact CD2-CB 4.28Å; L238-W263 HydrophobicContact CD2-CG 4.19Å
239Y77.1Confident67.7Low203 Ų203138.9 Ų138.980%0.79665%0.652SS**SBendtrans-79.3-29.5174.7174.4-94.1000111.5D259Y239-D259 VanDerWaalsContact CB-OD2 3.32Å; Y239-D259 WeakPolarHBondContact CB-OD2 3.48Å; Y239-D259 WeakPolarHBondContact CD1-OD2 3.49Å
240E79.4Confident68.1Low86 Ų86139.4 Ų139.440%0.40266%0.658SS.*SBendtrans-118.9127.4166.3-63-173.1168.200110.2L238 T258L238-E240 WeakPolarHBondContact CB-O 2.91Å; E240-T258 VanDerWaalsContact OE2-CA 3.3Å; E240-T258 WeakPolarHBondContact OE2-CA 3.46Å
241D73Confident68.5Low129 Ų129135.7 Ų135.769%0.6965%0.651SS**  trans-65.5157.8179.8-69.8-31.4000112.3M243D241-M243 PolarHBondContact O-N 3.47Å
242E77.1Confident69.3Low145 Ų145132.4 Ų132.468%0.67865%0.646SS**  trans-59.5118.9170.3-70.2169.3-141.400109.6K230 L238 A260K230-E242 IonicContact NZ-OE1 3.8Å; L238-E242 HydrophobicContact CD1-CG 4.28Å; E242-A260 HydrophobicContact CB-CB 4.48Å; E242-A260 HydrophobicContact CG-CB 3.61Å
243M72.9Confident69.5Low108 Ų108126.6 Ų126.653%0.53263%0.627SS.*  trans-105.9121.3-178.5-178.5169.75300110.7D241 I245 F256 T258D241-M243 PolarHBondContact O-N 3.47Å; M243-I245 HydrophobicContact CE-CD1 4.07Å; M243-I245 HydrophobicContact CE-CG1 3.98Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 PolarHBondContact O-N 3.14Å; M243-I245 HydrophobicContact SD-CG1 4.36Å; M243-F256 HydrophobicContact CE-CB 4.36Å; M243-F256 HydrophobicContact CE-CD2 3.75Å; M243-F256 HydrophobicContact CE-CG 4.39Å; M243-T258 HydrophobicContact CE-CG2 4.45Å
244E71Confident69.8Low174 Ų174123.6 Ų123.681%0.81362%0.624SS**  trans-83.8100.8166.3-170.2-179.3-17900109.5V246E244-V246 PolarHBondContact O-N 2.91Å; E244-V246 VanDerWaalsContact O-N 3.08Å
245I70.7Confident69.8Low61 Ų61121.1 Ų121.131%0.31362%0.615SS.*  trans-76.199.3169.4-58.1171.9000107.2M243 W247 F256M243-I245 HydrophobicContact CE-CD1 4.07Å; M243-I245 HydrophobicContact CE-CG1 3.98Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 PolarHBondContact O-N 3.14Å; M243-I245 HydrophobicContact SD-CG1 4.36Å; I245-W247 PolarHBondContact O-N 3.36Å; I245-F256 HydrophobicContact CD1-CD2 4.02Å
246V68.7Low69.8Low109 Ų109121.4 Ų121.466%0.66161%0.61SS**  trans-57.5112.7168.4-179.50000107.2E244 E248E244-V246 PolarHBondContact O-N 2.91Å; E244-V246 VanDerWaalsContact O-N 3.08Å; V246-E248 PolarHBondContact O-N 3.39Å
247W66.6Low69.8Low209 Ų209123.6 Ų123.679%0.79261%0.613SS**  trans-58.7100179.6-82.976.6000110.3I245I245-W247 PolarHBondContact O-N 3.36Å
248E65.4Low70.1Confident153 Ų153115.5 Ų115.572%0.71559%0.585SS**  trans-75.4134.6162.2-71.2-148.3154.800109.2V246 G250 G251V246-E248 PolarHBondContact O-N 3.39Å; E248-G250 VanDerWaalsContact C-N 3.26Å; E248-G250 PolarHBondContact O-N 3.34Å; E248-G251 PolarHBondContact O-N 2.99Å
249K69.7Low70.3Confident224 Ų224116.8 Ų116.897%0.97459%0.592SS**THydrogen-bonded Turntrans-63.687.5175.6-174.3-171.2178-172.30109.4
250G65.4Low70.5Confident79 Ų79107.6 Ų107.681%0.81456%0.557SS**THydrogen-bonded Turntrans117-2.9-178.200000115.2E248E248-G250 VanDerWaalsContact C-N 3.26Å; E248-G250 PolarHBondContact O-N 3.34Å
251G66.2Low70.7Confident33 Ų33107.1 Ų107.134%0.3455%0.554SS.*SBendtrans-65.4147.5163.100000109.5E248 G253E248-G251 PolarHBondContact O-N 2.99Å; G251-G253 PolarHBondContact O-N 3.32Å
252P68.5Low71.2Confident112 Ų112105.9 Ų105.973%0.72754%0.544SS*.  trans-60.4108166.927.7-30.7000105.3L254P252-L254 HydrophobicContact CB-CB 4.15Å; P252-L254 PolarHBondContact O-N 3.2Å
253G60.9Low71.5Confident34 Ų34104.3 Ų104.335%0.35153%0.532SS..  trans-66.834.1170.300000111.7G251 V255G251-G253 PolarHBondContact O-N 3.32Å; G253-V255 PolarHBondContact O-N 2.92Å
254L66.4Low71.8Confident114 Ų114101.5 Ų101.560%0.59752%0.523SS*.  trans-75.2104.3178.6-170.971.7000106.1P252 F256P252-L254 HydrophobicContact CB-CB 4.15Å; P252-L254 PolarHBondContact O-N 3.2Å; L254-F256 PolarHBondContact O-N 3.08Å; L254-F256 VanDerWaalsContact O-N 3.12Å
255V62.3Low72.3Confident85 Ų8599.3 Ų99.352%0.51551%0.513SS..  trans-60.9110.9166.2-179.40000106.1G253 F261G253-V255 PolarHBondContact O-N 2.92Å; V255-F261 HydrophobicContact CG1-CD1 4.47Å; V255-F261 HydrophobicContact CG1-CG 4.46Å
256F68.6Low72.9Confident128 Ų128102.2 Ų102.256%0.56153%0.525SS*.  trans-60.2143.1169.7-70.9-85000108.4M243 I245 L254 T258M243-F256 HydrophobicContact CE-CB 4.36Å; M243-F256 HydrophobicContact CE-CD2 3.75Å; M243-F256 HydrophobicContact CE-CG 4.39Å; I245-F256 HydrophobicContact CD1-CD2 4.02Å; L254-F256 PolarHBondContact O-N 3.08Å; L254-F256 VanDerWaalsContact O-N 3.12Å; F256-T258 HydrophobicContact CB-CG2 4.3Å; F256-T258 PolarHBondContact O-N 3.22Å
257Y69Low73.4Confident200 Ų200102 Ų10278%0.78452%0.517SS*.  trans-7274.6170.1-68.4-80.4000108.4F261Y257-F261 HydrophobicContact CD1-CD1 4.42Å
258T77.4Confident74.1Confident16 Ų1697 Ų9710%0.09851%0.509CS..  trans-71.9149.8170.1630000109E240 M243 F256 A260 F261 H262E240-T258 VanDerWaalsContact OE2-CA 3.3Å; E240-T258 WeakPolarHBondContact OE2-CA 3.46Å; M243-T258 HydrophobicContact CE-CG2 4.45Å; F256-T258 HydrophobicContact CB-CG2 4.3Å; F256-T258 PolarHBondContact O-N 3.22Å; T258-A260 PolarHBondContact O-N 3.47Å; T258-F261 WeakPolarHBondContact O-CA 3.5Å; T258-F261 WeakPolarHBondContact O-CB 3.34Å; T258-F261 PolarHBondContact O-N 2.88Å; T258-F261 PolarHBondContact OG1-N 2.8Å; T258-H262 PolarHBondContact O-N 3.42Å
259D80.8Confident74.8Confident51 Ų5194.8 Ų94.827%0.27350%0.502SS..Hα-helixtrans-57.1-36.8177.3-69.9-28.2000110.9Y239 F261 H262 W263Y239-D259 VanDerWaalsContact CB-OD2 3.32Å; Y239-D259 WeakPolarHBondContact CB-OD2 3.48Å; Y239-D259 WeakPolarHBondContact CD1-OD2 3.49Å; D259-F261 VanDerWaalsContact C-N 3.3Å; D259-F261 PolarHBondContact O-N 3.49Å; D259-H262 WeakPolarHBondContact O-CB 3.29Å; D259-H262 PolarHBondContact O-N 3.41Å; D259-H262 VanDerWaalsContact O-N 3.08Å; D259-W263 WeakPolarHBondContact O-CB 3.27Å; D259-W263 PolarHBondContact O-N 2.86Å
260A81.4Confident75.3Confident9 Ų987.2 Ų87.27%0.07448%0.475CS..Hα-helixtrans-52.3-45.3171.700000113.4L238 E242 T258 S264L238-A260 HydrophobicContact CD1-CB 3.68Å; L238-A260 HydrophobicContact CD2-CB 4.19Å; L238-A260 HydrophobicContact CG-CB 4.45Å; E242-A260 HydrophobicContact CB-CB 4.48Å; E242-A260 HydrophobicContact CG-CB 3.61Å; T258-A260 PolarHBondContact O-N 3.47Å; A260-S264 VanDerWaalsContact O-CB 3.31Å; A260-S264 WeakPolarHBondContact O-CB 3.26Å; A260-S264 PolarHBondContact O-N 3.43Å; A260-S264 PolarHBondContact O-OG 3.33Å
261F82.6Confident75.9Confident76 Ų7690 Ų9033%0.33347%0.472SS..Hα-helixtrans-70.8-34.6177.8-177.2-113.1000112.2V255 Y257 T258 D259 S264 Q265V255-F261 HydrophobicContact CG1-CD1 4.47Å; V255-F261 HydrophobicContact CG1-CG 4.46Å; Y257-F261 HydrophobicContact CD1-CD1 4.42Å; T258-F261 WeakPolarHBondContact O-CA 3.5Å; T258-F261 WeakPolarHBondContact O-CB 3.34Å; T258-F261 PolarHBondContact O-N 2.88Å; T258-F261 PolarHBondContact OG1-N 2.8Å; D259-F261 VanDerWaalsContact C-N 3.3Å; D259-F261 PolarHBondContact O-N 3.49Å; F261-S264 WeakPolarHBondContact CA-OG 3.26Å; F261-S264 PolarHBondContact O-OG 2.67Å; F261-S264 VanDerWaalsContact O-OG 3.1Å; F261-Q265 VanDerWaalsContact CD1-NE2 3.34Å; F261-Q265 HydrophobicContact CE2-CG 4.27Å; F261-Q265 HydrophobicContact CZ-CG 4.21Å; F261-Q265 WeakPolarHBondContact O-CG 3.3Å; F261-Q265 PolarHBondContact O-N 3.34Å
262H83.2Confident76.4Confident103 Ų10392.2 Ų92.248%0.47749%0.486SS..Hα-helixtrans-65.5-50.2174.4178.4-87.5000111.6T258 D259 Q265 Q266T258-H262 PolarHBondContact O-N 3.42Å; D259-H262 WeakPolarHBondContact O-CB 3.29Å; D259-H262 PolarHBondContact O-N 3.41Å; D259-H262 VanDerWaalsContact O-N 3.08Å; H262-Q265 PolarHBondContact O-N 2.98Å; H262-Q266 PolarHBondContact O-N 2.89Å; H262-Q266 VanDerWaalsContact O-N 3.12Å
263W83.3Confident76.7Confident113 Ų11391.4 Ų91.443%0.42847%0.471SS..Hα-helixtrans-63.8-42.5179.6-69.9115.5000112.2L238 D259 Q265 Q266 E267L238-W263 HydrophobicContact CD2-CB 4.28Å; L238-W263 HydrophobicContact CD2-CG 4.19Å; D259-W263 WeakPolarHBondContact O-CB 3.27Å; D259-W263 PolarHBondContact O-N 2.86Å; W263-Q265 VanDerWaalsContact C-N 3.28Å; W263-Q265 PolarHBondContact O-N 2.79Å; W263-Q266 PolarHBondContact O-N 3.31Å; W263-Q266 VanDerWaalsContact O-N 3.14Å; W263-E267 PolarHBondContact O-N 2.88Å
264S80Confident77.4Confident49 Ų4997.5 Ų97.534%0.34348%0.484SS..Hα-helixtrans-66.5-25.317862.40000114.5A260 F261 K273A260-S264 VanDerWaalsContact O-CB 3.31Å; A260-S264 WeakPolarHBondContact O-CB 3.26Å; A260-S264 PolarHBondContact O-N 3.43Å; A260-S264 PolarHBondContact O-OG 3.33Å; F261-S264 WeakPolarHBondContact CA-OG 3.26Å; F261-S264 PolarHBondContact O-OG 2.67Å; F261-S264 VanDerWaalsContact O-OG 3.1Å; S264-K273 PolarHBondContact O-NZ 3.05Å
265Q81Confident78Confident127 Ų12794.9 Ų94.959%0.59348%0.479SS*.Hα-helixtrans-80.6-29.1172-81-171.691.400113.1F261 H262 W263F261-Q265 VanDerWaalsContact CD1-NE2 3.34Å; F261-Q265 HydrophobicContact CE2-CG 4.27Å; F261-Q265 HydrophobicContact CZ-CG 4.21Å; F261-Q265 WeakPolarHBondContact O-CG 3.3Å; F261-Q265 PolarHBondContact O-N 3.34Å; H262-Q265 PolarHBondContact O-N 2.98Å; W263-Q265 VanDerWaalsContact C-N 3.28Å; W263-Q265 PolarHBondContact O-N 2.79Å
266Q83.7Confident78.5Confident122 Ų12296.9 Ų96.957%0.5749%0.487SS*.Hα-helixtrans-79.8-26.6176.6-170.616941.100112.2H262 W263 T268H262-Q266 PolarHBondContact O-N 2.89Å; H262-Q266 VanDerWaalsContact O-N 3.12Å; W263-Q266 PolarHBondContact O-N 3.31Å; W263-Q266 VanDerWaalsContact O-N 3.14Å; Q266-T268 PolarHBondContact O-N 3.1Å
267E79.9Confident78.5Confident106 Ų10699.8 Ų99.850%0.49550%0.502SS..SBendtrans-55.8128.5173.7-166.1179.8-153.200110.4W263 D269 K273W263-E267 PolarHBondContact O-N 2.88Å; E267-D269 PolarHBondContact O-N 3.4Å; E267-K273 IonicContact OE2-NZ 3.63Å
268T79.8Confident78.4Confident103 Ų103100.1 Ų100.163%0.63250%0.502SS*.  trans-65.2133.3178.9-56.60000109Q266 T270Q266-T268 PolarHBondContact O-N 3.1Å; T268-T270 HydrophobicContact CG2-CG2 3.72Å; T268-T270 PolarHBondContact O-N 2.93Å; T268-T270 PolarHBondContact O-OG1 3.2Å
269D80.9Confident78Confident106 Ų106106.5 Ų106.557%0.56754%0.535SS*.  trans-68.372177.5-162.238.3000110.7E267 W274E267-D269 PolarHBondContact O-N 3.4Å; D269-W274 WeakPolarHBondContact OD1-CH2 3.37Å; D269-W274 WeakPolarHBondContact OD1-CZ2 3.31Å; D269-W274 WeakPolarHBondContact OD1-CZ3 3.33Å; D269-W274 WeakPolarHBondContact OD2-CH2 3.49Å
270T79.5Confident77.6Confident65 Ų65109.1 Ų109.140%0.39955%0.553SS.*  trans-96148.4-177.558.80000109.8T268 A272 K273T268-T270 HydrophobicContact CG2-CG2 3.72Å; T268-T270 PolarHBondContact O-N 2.93Å; T268-T270 PolarHBondContact O-OG1 3.2Å; T270-A272 PolarHBondContact O-N 2.81Å; T270-K273 VanDerWaalsContact O-CB 3.32Å; T270-K273 WeakPolarHBondContact O-CB 3.26Å; T270-K273 PolarHBondContact O-N 3.25Å
271D78.9Confident77.4Confident139 Ų139110.4 Ų110.474%0.74356%0.558SS**G310 helixtrans-51.4-26.8179-54.55.6000112.9K273 W274 A275D271-K273 PolarHBondContact O-N 2.92Å; D271-W274 CarbonylContact O-C 3.59Å; D271-W274 PolarHBondContact O-N 3.15Å; D271-A275 PolarHBondContact O-N 3.2Å
272A76.3Confident77.1Confident78 Ų78111.2 Ų111.265%0.64557%0.565SS**G310 helixtrans-58.7-31.8175.500000113.3T270 W274 A275T270-A272 PolarHBondContact O-N 2.81Å; A272-W274 PolarHBondContact O-N 2.81Å; A272-A275 PolarHBondContact O-N 2.92Å
273K75.9Confident77.1Confident95 Ų95108.5 Ų108.541%0.41356%0.557SS.*G310 helixtrans-65-26.1179.9-172.7169.5-173.11560113.5S264 E267 T270 D271S264-K273 PolarHBondContact O-NZ 3.05Å; E267-K273 IonicContact OE2-NZ 3.63Å; T270-K273 VanDerWaalsContact O-CB 3.32Å; T270-K273 WeakPolarHBondContact O-CB 3.26Å; T270-K273 PolarHBondContact O-N 3.25Å; D271-K273 PolarHBondContact O-N 2.92Å
274W74.9Confident77.1Confident162 Ų162103.5 Ų103.561%0.61454%0.539SS*.G310 helixtrans-121.110.7178.9-53-65.2000112.9D269 D271 A272 D276D269-W274 WeakPolarHBondContact OD1-CH2 3.37Å; D269-W274 WeakPolarHBondContact OD1-CZ2 3.31Å; D269-W274 WeakPolarHBondContact OD1-CZ3 3.33Å; D269-W274 WeakPolarHBondContact OD2-CH2 3.49Å; D271-W274 CarbonylContact O-C 3.59Å; D271-W274 PolarHBondContact O-N 3.15Å; A272-W274 PolarHBondContact O-N 2.81Å; W274-D276 PolarHBondContact O-N 2.77Å
275A78.2Confident77Confident60 Ų60105 Ų10550%0.49654%0.538SS..  trans-65.5105.9171.500000106.1D271 A272 E277D271-A275 PolarHBondContact O-N 3.2Å; A272-A275 PolarHBondContact O-N 2.92Å; A275-E277 PolarHBondContact O-N 2.94Å
276D73.4Confident76.9Confident127 Ų127107.8 Ų107.868%0.67954%0.544SS*.  trans-57.6110.1167.1-69.6-29000105.8W274 W278W274-D276 PolarHBondContact O-N 2.77Å; D276-W278 HydrophobicContact CB-CG 4.48Å; D276-W278 PolarHBondContact O-N 2.96Å; D276-W278 PolarHBondContact OD2-NE1 2.83Å
277E67.8Low76.6Confident189 Ų189107.6 Ų107.688%0.88354%0.541SS*.  trans-66.978.6170.9-68179-172.500107.4A275 D279A275-E277 PolarHBondContact O-N 2.94Å; E277-D279 VanDerWaalsContact C-N 3.34Å; E277-D279 PolarHBondContact O-N 2.63Å
278W68.2Low76.6Confident207 Ų207109.6 Ų109.678%0.78455%0.548SS*.  trans-68.3101.3169.9-71.317.2000105.4D276 V280D276-W278 HydrophobicContact CB-CG 4.48Å; D276-W278 PolarHBondContact O-N 2.96Å; D276-W278 PolarHBondContact OD2-NE1 2.83Å; W278-V280 PolarHBondContact O-N 2.8Å
279D69.1Low76.5Confident149 Ų149111.3 Ų111.380%0.79756%0.561SS**  trans-68.579.6174.159.1-30.8000108.9E277 D281E277-D279 VanDerWaalsContact C-N 3.34Å; E277-D279 PolarHBondContact O-N 2.63Å; D279-D281 PolarHBondContact O-N 2.84Å
280V72.1Confident76.2Confident107 Ų107108.9 Ų108.965%0.64856%0.561SS**  trans-58.8113.1176-177.40000108.2W278 M282W278-V280 PolarHBondContact O-N 2.8Å; V280-M282 VanDerWaalsContact C-N 3.33Å; V280-M282 HydrophobicContact CG1-CG 4.27Å; V280-M282 HydrophobicContact CG1-SD 3.65Å; V280-M282 PolarHBondContact O-N 3.44Å
281D76.9Confident76.2Confident35 Ų35109 Ų10919%0.18756%0.559CS.*  trans-79.877.1-170.582.1-39.3000111.5D279 S283 G295 D296 A299D279-D281 PolarHBondContact O-N 2.84Å; D281-S283 PolarHBondContact O-N 2.77Å; D281-G295 WeakPolarHBondContact OD2-CA 3.06Å; D281-D296 PolarHBondContact OD2-N 3.41Å; D281-A299 VanDerWaalsContact OD1-CB 3.26Å; D281-A299 WeakPolarHBondContact OD1-CB 2.87Å
282M75.4Confident75.7Confident94 Ų94112.6 Ų112.646%0.46356%0.564SS.*G310 helixtrans-68.26.4-179.8-57.9-60.2-78.300113.9V280 V284 Y285 Y286V280-M282 VanDerWaalsContact C-N 3.33Å; V280-M282 HydrophobicContact CG1-CG 4.27Å; V280-M282 HydrophobicContact CG1-SD 3.65Å; V280-M282 PolarHBondContact O-N 3.44Å; M282-V284 VanDerWaalsContact C-N 3.27Å; M282-V284 PolarHBondContact O-N 2.91Å; M282-Y285 HydrophobicContact CB-CD2 4.08Å; M282-Y285 HydrophobicContact CE-CD2 3.43Å; M282-Y285 VanDerWaalsContact CE-CD2 3.43Å; M282-Y285 HydrophobicContact CE-CE2 3.19Å; M282-Y285 WeakPolarHBondContact O-CB 3.42Å; M282-Y285 WeakPolarHBondContact O-CD2 3.34Å; M282-Y285 PolarHBondContact O-N 3.39Å; M282-Y285 VanDerWaalsContact O-N 3.11Å; M282-Y285 HydrophobicContact SD-CD2 3.91Å; M282-Y285 HydrophobicContact SD-CE2 3.6Å; M282-Y285 VanDerWaalsContact SD-CE2 3.6Å; M282-Y286 WeakPolarHBondContact O-CD2 3.43Å
283S83.2Confident75.7Confident45 Ų45115.2 Ų115.232%0.31557%0.567SS.*G310 helixtrans-57.5-35.3-179720000113D281 Y285 Y286 K287 V294 G295D281-S283 PolarHBondContact O-N 2.77Å; S283-Y285 PolarHBondContact O-N 2.87Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; S283-Y286 PolarHBondContact O-N 3.29Å; S283-K287 PolarHBondContact O-N 2.66Å; S283-V294 VanDerWaalsContact C-CG1 3.47Å; S283-V294 VanDerWaalsContact O-CG1 3.3Å; S283-V294 WeakPolarHBondContact O-CG1 2.97Å; S283-V294 WeakPolarHBondContact OG-CG1 3.46Å; S283-G295 VanDerWaalsContact OG-CA 3.23Å; S283-G295 WeakPolarHBondContact OG-CA 3.23Å; S283-G295 PolarHBondContact OG-N 3.06Å
284V83.5Confident76Confident8 Ų8112.4 Ų112.45%0.04856%0.558CS.*G310 helixtrans-57.5-32.4178.3-1730000111.6M282 Y286 K287 A299 K300 L303M282-V284 VanDerWaalsContact C-N 3.27Å; M282-V284 PolarHBondContact O-N 2.91Å; V284-Y286 VanDerWaalsContact C-N 3.27Å; V284-Y286 PolarHBondContact O-N 3.35Å; V284-K287 WeakPolarHBondContact O-CB 3.46Å; V284-K287 PolarHBondContact O-N 3.35Å; V284-A299 HydrophobicContact CB-CB 4.28Å; V284-A299 HydrophobicContact CG2-CB 3.45Å; V284-A299 VanDerWaalsContact CG2-CB 3.45Å; V284-K300 HydrophobicContact CG2-CG 4.45Å; V284-L303 HydrophobicContact CB-CD1 4.46Å; V284-L303 HydrophobicContact CG1-CD1 3.21Å; V284-L303 HydrophobicContact CG1-CG 4Å
285Y79Confident76.3Confident82 Ų82105.7 Ų105.732%0.32254%0.539SS..G310 helixtrans-71.1-20.8178.6-64.4-67.5000114M282 S283 L303 L436M282-Y285 HydrophobicContact CB-CD2 4.08Å; M282-Y285 HydrophobicContact CE-CD2 3.43Å; M282-Y285 VanDerWaalsContact CE-CD2 3.43Å; M282-Y285 HydrophobicContact CE-CE2 3.19Å; M282-Y285 WeakPolarHBondContact O-CB 3.42Å; M282-Y285 WeakPolarHBondContact O-CD2 3.34Å; M282-Y285 PolarHBondContact O-N 3.39Å; M282-Y285 VanDerWaalsContact O-N 3.11Å; M282-Y285 HydrophobicContact SD-CD2 3.91Å; M282-Y285 HydrophobicContact SD-CE2 3.6Å; M282-Y285 VanDerWaalsContact SD-CE2 3.6Å; S283-Y285 PolarHBondContact O-N 2.87Å; S283-Y285 VanDerWaalsContact O-N 3.14Å; Y285-L303 HydrophobicContact CE1-CD2 4.25Å; Y285-L436 HydrophobicContact CD1-CB 4.17Å; Y285-L436 WeakPolarHBondContact CD1-O 3.44Å; Y285-L436 WeakPolarHBondContact CE1-O 3.31Å
286Y79.2Confident76.6Confident184 Ų184105.7 Ų105.772%0.72253%0.53SS*.G310 helixtrans-105.810.2-179.1-59.8-73.7000113.4M282 S283 V284 K288M282-Y286 WeakPolarHBondContact O-CD2 3.43Å; S283-Y286 PolarHBondContact O-N 3.29Å; V284-Y286 VanDerWaalsContact C-N 3.27Å; V284-Y286 PolarHBondContact O-N 3.35Å; Y286-K288 PolarHBondContact O-N 3.02Å
287K77.9Confident77.2Confident119 Ų119106.8 Ų106.852%0.51753%0.529SS..  trans-51.3114176.9-177.2178.8-178.3175.10110.9S283 V284 D291S283-K287 PolarHBondContact O-N 2.66Å; V284-K287 WeakPolarHBondContact O-CB 3.46Å; V284-K287 PolarHBondContact O-N 3.35Å; K287-D291 WeakPolarHBondContact CE-O 3.31Å; K287-D291 HydrophobicContact CG-CB 4.44Å
288K78.2Confident78Confident147 Ų147102.7 Ų102.764%0.63951%0.514SS*.  trans-86.5156.6175.5-64.2173.1-176.2166.70110.1Y286 G290 D291Y286-K288 PolarHBondContact O-N 3.02Å; K288-G290 PolarHBondContact O-N 2.62Å; K288-D291 VanDerWaalsContact CB-OD2 3.31Å; K288-D291 WeakPolarHBondContact CB-OD2 3.25Å; K288-D291 PolarHBondContact N-OD2 2.91Å; K288-D291 PolarHBondContact O-N 3.32Å; K288-D291 VanDerWaalsContact O-N 3.1Å
289P77.4Confident78.8Confident140 Ų14093.6 Ų93.691%0.90948%0.483SS*.THydrogen-bonded Turntrans-57.5114.6169.2-19.431.1000109.8
290G75.7Confident79.6Confident54 Ų5489.5 Ų89.556%0.55746%0.458SS*.THydrogen-bonded Turntrans116.5-18.3-177.600000114.3K288 Y292K288-G290 PolarHBondContact O-N 2.62Å; G290-Y292 WeakPolarHBondContact O-CD2 3.44Å; G290-Y292 VanDerWaalsContact O-CE2 3.26Å; G290-Y292 WeakPolarHBondContact O-CE2 3.11Å; G290-Y292 PolarHBondContact O-N 3.49Å
291D78.7Confident80.4Confident68 Ų6887.6 Ų87.636%0.36444%0.444SS..  trans-80.3112.3177.8-54.7-31000110.1K287 K288 V294K287-D291 WeakPolarHBondContact CE-O 3.31Å; K287-D291 HydrophobicContact CG-CB 4.44Å; K288-D291 VanDerWaalsContact CB-OD2 3.31Å; K288-D291 WeakPolarHBondContact CB-OD2 3.25Å; K288-D291 PolarHBondContact N-OD2 2.91Å; K288-D291 PolarHBondContact O-N 3.32Å; K288-D291 VanDerWaalsContact O-N 3.1Å; D291-V294 HydrophobicContact CB-CG2 3.35Å
292Y69.6Low80.8Confident215 Ų21591.8 Ų91.884%0.84346%0.464SS*.  trans-89.5131.2171.3-58.2-85.7000108.1G290G290-Y292 WeakPolarHBondContact O-CD2 3.44Å; G290-Y292 VanDerWaalsContact O-CE2 3.26Å; G290-Y292 WeakPolarHBondContact O-CE2 3.11Å; G290-Y292 PolarHBondContact O-N 3.49Å
293D75.5Confident81.3Confident133 Ų13388.9 Ų88.971%0.71145%0.45SS*.SBendtrans74.422.7169.9-143.122.3000118.7G295 K300D293-G295 PolarHBondContact O-N 3.14Å; D293-K300 PolarHBondContact O-NZ 3.24Å; D293-K300 IonicContact OD1-NZ 3.81Å; D293-K300 PolarHBondContact OD1-NZ 3.36Å
294V82.2Confident81.5Confident36 Ų3693 Ų9322%0.21846%0.464CS..  trans-65.8126.4174-173.40000111.9S283 D291 K300S283-V294 VanDerWaalsContact C-CG1 3.47Å; S283-V294 VanDerWaalsContact O-CG1 3.3Å; S283-V294 WeakPolarHBondContact O-CG1 2.97Å; S283-V294 WeakPolarHBondContact OG-CG1 3.46Å; D291-V294 HydrophobicContact CB-CG2 3.35Å; V294-K300 WeakPolarHBondContact O-CE 3.38Å
295G81.1Confident81.8Confident21 Ų2197.5 Ų97.522%0.21649%0.487CS..SBendtrans93.5163.1175.800000115.7D281 S283 D293 K300D281-G295 WeakPolarHBondContact OD2-CA 3.06Å; S283-G295 VanDerWaalsContact OG-CA 3.23Å; S283-G295 WeakPolarHBondContact OG-CA 3.23Å; S283-G295 PolarHBondContact OG-N 3.06Å; D293-G295 PolarHBondContact O-N 3.14Å; G295-K300 WeakPolarHBondContact O-CE 3.47Å; G295-K300 PolarHBondContact O-NZ 3.3Å
296D85.1Confident82.2Confident59 Ų5996.1 Ų96.132%0.31648%0.481SS..  trans-71.6-179.3172.76920.8000111.3D281 D298 A299 K300D281-D296 PolarHBondContact OD2-N 3.41Å; D296-D298 PolarHBondContact OD1-N 2.92Å; D296-A299 VanDerWaalsContact OD1-CB 3.26Å; D296-A299 WeakPolarHBondContact OD1-CB 2.94Å; D296-A299 PolarHBondContact OD1-N 2.84Å; D296-K300 WeakPolarHBondContact O-CD 3.37Å; D296-K300 VanDerWaalsContact O-CG 3.26Å; D296-K300 WeakPolarHBondContact O-CG 3.48Å; D296-K300 PolarHBondContact O-N 3.29Å
297K84.8Confident82.5Confident150 Ų15091.7 Ų91.765%0.65246%0.463SS*.Hα-helixtrans-74.1-40.4-172.4-175.8177.1176.6-177.50111.5K300 D301K297-K300 PolarHBondContact O-N 2.97Å; K297-D301 WeakPolarHBondContact CE-OD2 3.45Å; K297-D301 WeakPolarHBondContact O-CB 3.39Å; K297-D301 PolarHBondContact O-N 2.99Å
298D85.8Confident82.9Confident104 Ų10489.5 Ų89.556%0.55646%0.462SS*.Hα-helixtrans-71.4-37.1-17643.3-52.3000112.4D296 K300 D301 M302D296-D298 PolarHBondContact OD1-N 2.92Å; D298-K300 VanDerWaalsContact C-N 3.33Å; D298-K300 PolarHBondContact O-N 3.17Å; D298-D301 PolarHBondContact O-N 3.28Å; D298-M302 VanDerWaalsContact O-CB 3.27Å; D298-M302 WeakPolarHBondContact O-CB 3.39Å; D298-M302 VanDerWaalsContact O-CG 3.29Å; D298-M302 WeakPolarHBondContact O-CG 3.48Å; D298-M302 PolarHBondContact O-N 3.49Å
299A84.2Confident83.3Confident16 Ų1687.4 Ų87.413%0.13246%0.455CS..Hα-helixtrans-64.4-38.7171.100000112D281 V284 D296 L303D281-A299 VanDerWaalsContact OD1-CB 3.26Å; D281-A299 WeakPolarHBondContact OD1-CB 2.87Å; V284-A299 HydrophobicContact CB-CB 4.28Å; V284-A299 HydrophobicContact CG2-CB 3.45Å; V284-A299 VanDerWaalsContact CG2-CB 3.45Å; D296-A299 VanDerWaalsContact OD1-CB 3.26Å; D296-A299 WeakPolarHBondContact OD1-CB 2.94Å; D296-A299 PolarHBondContact OD1-N 2.84Å; A299-L303 PolarHBondContact O-N 2.95Å
300K86.1Confident83.8Confident63 Ų6382.1 Ų82.127%0.27442%0.417SS..Hα-helixtrans-65.4-48.4173.2-72.8169.6-175.6156.30112.1V284 D293 V294 G295 D296 K297 D298 M302 L303 E304V284-K300 HydrophobicContact CG2-CG 4.45Å; D293-K300 PolarHBondContact O-NZ 3.24Å; D293-K300 IonicContact OD1-NZ 3.81Å; D293-K300 PolarHBondContact OD1-NZ 3.36Å; V294-K300 WeakPolarHBondContact O-CE 3.38Å; G295-K300 WeakPolarHBondContact O-CE 3.47Å; G295-K300 PolarHBondContact O-NZ 3.3Å; D296-K300 WeakPolarHBondContact O-CD 3.37Å; D296-K300 VanDerWaalsContact O-CG 3.26Å; D296-K300 WeakPolarHBondContact O-CG 3.48Å; D296-K300 PolarHBondContact O-N 3.29Å; K297-K300 PolarHBondContact O-N 2.97Å; D298-K300 VanDerWaalsContact C-N 3.33Å; D298-K300 PolarHBondContact O-N 3.17Å; K300-M302 VanDerWaalsContact C-N 3.3Å; K300-M302 PolarHBondContact O-N 3.26Å; K300-L303 PolarHBondContact O-N 3.19Å; K300-L303 VanDerWaalsContact O-N 3.17Å; K300-E304 PolarHBondContact O-N 3.06Å
301D88.9Confident84.2Confident66 Ų6681.7 Ų81.735%0.35340%0.402SS..Hα-helixtrans-61.9-39.5-179.9-74-3.8000110.6K297 D298 L303 E304 I305K297-D301 WeakPolarHBondContact CE-OD2 3.45Å; K297-D301 WeakPolarHBondContact O-CB 3.39Å; K297-D301 PolarHBondContact O-N 2.99Å; D298-D301 PolarHBondContact O-N 3.28Å; D301-L303 PolarHBondContact O-N 2.76Å; D301-E304 PolarHBondContact O-N 2.8Å; D301-I305 VanDerWaalsContact O-CG1 3.3Å; D301-I305 WeakPolarHBondContact O-CG1 3.5Å; D301-I305 PolarHBondContact O-N 2.84Å
302M85.9Confident84.4Confident124 Ų12482.6 Ų82.661%0.61142%0.418SS*.Hα-helixtrans-59.4-43.7174.1-85.8-72.4-72.700112.6D298 K300 R306D298-M302 VanDerWaalsContact O-CB 3.27Å; D298-M302 WeakPolarHBondContact O-CB 3.39Å; D298-M302 VanDerWaalsContact O-CG 3.29Å; D298-M302 WeakPolarHBondContact O-CG 3.48Å; D298-M302 PolarHBondContact O-N 3.49Å; K300-M302 VanDerWaalsContact C-N 3.3Å; K300-M302 PolarHBondContact O-N 3.26Å; M302-R306 PolarHBondContact O-N 3.47Å; M302-R306 VanDerWaalsContact O-N 3.08Å
303L86.4Confident85.1Confident32 Ų3279.3 Ų79.317%0.16841%0.408CS..Hα-helixtrans-67.1-38.9174.6-74.6-165.3000112.4V284 Y285 A299 K300 D301 R306 R307 L436V284-L303 HydrophobicContact CB-CD1 4.46Å; V284-L303 HydrophobicContact CG1-CD1 3.21Å; V284-L303 HydrophobicContact CG1-CG 4Å; Y285-L303 HydrophobicContact CE1-CD2 4.25Å; A299-L303 PolarHBondContact O-N 2.95Å; K300-L303 PolarHBondContact O-N 3.19Å; K300-L303 VanDerWaalsContact O-N 3.17Å; D301-L303 PolarHBondContact O-N 2.76Å; L303-R306 PolarHBondContact O-N 2.76Å; L303-R307 VanDerWaalsContact O-CB 3.25Å; L303-R307 WeakPolarHBondContact O-CB 3.16Å; L303-R307 PolarHBondContact O-N 3.4Å; L303-L436 HydrophobicContact CD1-CD2 3.47Å; L303-L436 VanDerWaalsContact CD1-CD2 3.47Å; L303-L436 HydrophobicContact CD2-CD2 4.2Å
304E87.2Confident85.3Confident133 Ų13376 Ų7662%0.62141%0.406SS*.Hα-helixtrans-63.1-42.7177.9-171.2175.7-173.800111.6K300 D301 R307 S308K300-E304 PolarHBondContact O-N 3.06Å; D301-E304 PolarHBondContact O-N 2.8Å; E304-R307 WeakPolarHBondContact O-CB 3.27Å; E304-R307 PolarHBondContact O-N 3.2Å; E304-S308 WeakPolarHBondContact O-CB 3.42Å; E304-S308 PolarHBondContact O-N 2.88Å
305I89.2Confident85.3Confident101 Ų10180.3 Ų80.352%0.51842%0.424SS..Hα-helixtrans-60.2-48.9173.7-68.1165.2000110.1D301 R307 S308 E309D301-I305 VanDerWaalsContact O-CG1 3.3Å; D301-I305 WeakPolarHBondContact O-CG1 3.5Å; D301-I305 PolarHBondContact O-N 2.84Å; I305-R307 VanDerWaalsContact C-N 3.26Å; I305-R307 PolarHBondContact O-N 3.44Å; I305-S308 WeakPolarHBondContact O-CB 2.94Å; I305-S308 PolarHBondContact O-N 3.19Å; I305-E309 PolarHBondContact O-N 3.23Å
306R87.2Confident85.2Confident54 Ų5481.4 Ų81.420%0.20442%0.423CS..Hα-helixtrans-61.2-36.8178.9-168.5177-168.3177.36.8112.3M302 L303 R310 E433 T434 L435M302-R306 PolarHBondContact O-N 3.47Å; M302-R306 VanDerWaalsContact O-N 3.08Å; L303-R306 PolarHBondContact O-N 2.76Å; R306-R310 WeakPolarHBondContact O-CB 3.03Å; R306-R310 PolarHBondContact O-N 3Å; R306-R310 VanDerWaalsContact O-N 3.14Å; R306-E433 IonicContact CZ-OE2 3.63Å; R306-E433 IonicContact NH2-OE2 3.69Å; R306-E433 PolarHBondContact NH2-OE2 2.72Å; R306-T434 PolarHBondContact NH2-O 3.31Å; R306-L435 WeakPolarHBondContact CD-O 3.46Å; R306-L435 PolarHBondContact NH1-O 3.07Å
307R85.8Confident84.8Confident90 Ų9082.7 Ų82.734%0.3444%0.437SS..Hα-helixtrans-66.3-46.6175.7-167.7179-172.4-90.1-12.5111.4L303 E304 I305 E309 R310 I311 E316 D318 L435L303-R307 VanDerWaalsContact O-CB 3.25Å; L303-R307 WeakPolarHBondContact O-CB 3.16Å; L303-R307 PolarHBondContact O-N 3.4Å; E304-R307 WeakPolarHBondContact O-CB 3.27Å; E304-R307 PolarHBondContact O-N 3.2Å; I305-R307 VanDerWaalsContact C-N 3.26Å; I305-R307 PolarHBondContact O-N 3.44Å; R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.31Å; R307-R310 VanDerWaalsContact O-CB 3.31Å; R307-R310 WeakPolarHBondContact O-CB 3.32Å; R307-R310 PolarHBondContact O-N 3.27Å; R307-I311 HydrophobicContact CG-CD1 4.26Å; R307-I311 WeakPolarHBondContact O-CG1 3.45Å; R307-I311 PolarHBondContact O-N 3.27Å; R307-E316 WeakPolarHBondContact CG-OE2 3.43Å; R307-E316 IonicContact CZ-OE1 3.8Å; R307-E316 IonicContact NE-OE1 3.94Å; R307-E316 PolarHBondContact NE-OE1 3.11Å; R307-E316 IonicContact NH2-OE1 2.98Å; R307-E316 PolarHBondContact NH2-OE1 2.99Å; R307-E316 VanDerWaalsContact NH2-OE1 3.11Å; R307-D318 IonicContact CZ-OD1 3.11Å; R307-D318 VanDerWaalsContact CZ-OD1 3.23Å; R307-D318 IonicContact CZ-OD2 2.62Å; R307-D318 VanDerWaalsContact NH1-CG 3.33Å; R307-D318 IonicContact NH1-OD1 3.38Å; R307-D318 PolarHBondContact NH1-OD1 2.7Å; R307-D318 IonicContact NH1-OD2 3.43Å; R307-D318 PolarHBondContact NH1-OD2 2.92Å; R307-D318 IonicContact NH2-OD1 2.99Å; R307-D318 PolarHBondContact NH2-OD1 2.8Å; R307-D318 IonicContact NH2-OD2 3.19Å; R307-L435 HydrophobicContact CB-CD2 4.06Å; R307-L435 HydrophobicContact CG-CD2 4.3Å
308S86.7Confident84Confident73 Ų7379 Ų7951%0.5142%0.424SS..Hα-helixtrans-58.2-43.9176-176.20000112.2E304 I305 R310 I311 A312E304-S308 WeakPolarHBondContact O-CB 3.42Å; E304-S308 PolarHBondContact O-N 2.88Å; I305-S308 WeakPolarHBondContact O-CB 2.94Å; I305-S308 PolarHBondContact O-N 3.19Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.11Å; S308-I311 PolarHBondContact O-N 3.32Å; S308-A312 WeakPolarHBondContact O-CB 3.4Å; S308-A312 PolarHBondContact O-N 3.37Å
309E86.9Confident83.2Confident103 Ų10377.3 Ų77.348%0.48142%0.421SS..Hα-helixtrans-62.2-37.2174.3-70.5-171.3169.100112.8I305 R307 A312 K313I305-E309 PolarHBondContact O-N 3.23Å; R307-E309 VanDerWaalsContact C-N 3.34Å; R307-E309 PolarHBondContact O-N 3.31Å; E309-A312 PolarHBondContact O-N 2.92Å; E309-K313 WeakPolarHBondContact O-CB 3.3Å; E309-K313 VanDerWaalsContact O-CG 3.31Å; E309-K313 WeakPolarHBondContact O-CG 3.35Å; E309-K313 PolarHBondContact O-N 3.21Å
310R86.7Confident82.4Confident30 Ų3083.1 Ų83.111%0.11346%0.455CS..Hα-helixtrans-68.1-41.3178.9-154.9176.4-64.1-126.7-5.9111.6R306 R307 S308 K313 G314 Q315 E316 E433 T434 L435R306-R310 WeakPolarHBondContact O-CB 3.03Å; R306-R310 PolarHBondContact O-N 3Å; R306-R310 VanDerWaalsContact O-N 3.14Å; R307-R310 VanDerWaalsContact O-CB 3.31Å; R307-R310 WeakPolarHBondContact O-CB 3.32Å; R307-R310 PolarHBondContact O-N 3.27Å; S308-R310 VanDerWaalsContact C-N 3.3Å; S308-R310 PolarHBondContact O-N 3.11Å; R310-K313 PolarHBondContact O-N 2.96Å; R310-G314 PolarHBondContact O-N 3.27Å; R310-G314 VanDerWaalsContact O-N 3.15Å; R310-Q315 HydrophobicContact CG-CB 3.42Å; R310-Q315 VanDerWaalsContact CG-CB 3.42Å; R310-Q315 HydrophobicContact CG-CG 4.45Å; R310-Q315 PolarHBondContact O-N 3Å; R310-E316 HydrophobicContact CB-CB 4.18Å; R310-E316 WeakPolarHBondContact CD-OE2 3.34Å; R310-E316 HydrophobicContact CG-CB 3.99Å; R310-E316 PolarHBondContact O-N 2.72Å; R310-E433 PolarHBondContact NH1-O 2.93Å; R310-T434 PolarHBondContact NH2-O 3.34Å; R310-L435 VanDerWaalsContact CZ-CD2 3.5Å; R310-L435 VanDerWaalsContact CZ-CG 3.5Å; R310-L435 VanDerWaalsContact NH1-N 3.11Å
311I84Confident81.5Confident45 Ų4588.7 Ų88.723%0.23148%0.479CS..Hα-helixtrans-62.1-44.8172-65164000110.1R307 S308 K313 G314 E316 D318R307-I311 HydrophobicContact CG-CD1 4.26Å; R307-I311 WeakPolarHBondContact O-CG1 3.45Å; R307-I311 PolarHBondContact O-N 3.27Å; S308-I311 PolarHBondContact O-N 3.32Å; I311-K313 VanDerWaalsContact C-N 3.3Å; I311-K313 PolarHBondContact O-N 3.32Å; I311-G314 PolarHBondContact O-N 3.12Å; I311-E316 HydrophobicContact CG1-CB 4Å; I311-D318 WeakPolarHBondContact CD1-OD2 3.33Å
312A83.3Confident80.2Confident87 Ų8794.3 Ų94.372%0.71950%0.503SS*.Hα-helixtrans-64.1-33.4178.100000112.9S308 E309 G314S308-A312 WeakPolarHBondContact O-CB 3.4Å; S308-A312 PolarHBondContact O-N 3.37Å; E309-A312 PolarHBondContact O-N 2.92Å; A312-G314 PolarHBondContact O-N 3.47Å
313K83.7Confident78.9Confident145 Ų14598.7 Ų98.763%0.6351%0.513SS*.THydrogen-bonded Turntrans-77.5-5.7172.4-71.3171.6-172.6167.30113.3E309 R310 I311 Q315E309-K313 WeakPolarHBondContact O-CB 3.3Å; E309-K313 VanDerWaalsContact O-CG 3.31Å; E309-K313 WeakPolarHBondContact O-CG 3.35Å; E309-K313 PolarHBondContact O-N 3.21Å; R310-K313 PolarHBondContact O-N 2.96Å; I311-K313 VanDerWaalsContact C-N 3.3Å; I311-K313 PolarHBondContact O-N 3.32Å; K313-Q315 HydrophobicContact CB-CG 4.35Å; K313-Q315 PolarHBondContact O-N 3.25Å
314G80.9Confident77.6Confident65 Ų65102.2 Ų102.267%0.6754%0.538SS*.THydrogen-bonded Turntrans73.212.1-177.200000114.5R310 I311 A312R310-G314 PolarHBondContact O-N 3.27Å; R310-G314 VanDerWaalsContact O-N 3.15Å; I311-G314 PolarHBondContact O-N 3.12Å; A312-G314 PolarHBondContact O-N 3.47Å
315Q80.9Confident75.8Confident126 Ų126103.1 Ų103.159%0.58955%0.547SS*.SBendtrans-78.4-21.9176.7-77176.4-32.800112.3R310 K313R310-Q315 HydrophobicContact CG-CB 3.42Å; R310-Q315 VanDerWaalsContact CG-CB 3.42Å; R310-Q315 HydrophobicContact CG-CG 4.45Å; R310-Q315 PolarHBondContact O-N 3Å; K313-Q315 HydrophobicContact CB-CG 4.35Å; K313-Q315 PolarHBondContact O-N 3.25Å
316E78.5Confident74Confident43 Ų43104.6 Ų104.620%0.20156%0.561CS.*  trans-131142.7-178.6-156.9177.9165.500111.2R307 R310 I311R307-E316 WeakPolarHBondContact CG-OE2 3.43Å; R307-E316 IonicContact CZ-OE1 3.8Å; R307-E316 IonicContact NE-OE1 3.94Å; R307-E316 PolarHBondContact NE-OE1 3.11Å; R307-E316 IonicContact NH2-OE1 2.98Å; R307-E316 PolarHBondContact NH2-OE1 2.99Å; R307-E316 VanDerWaalsContact NH2-OE1 3.11Å; R310-E316 HydrophobicContact CB-CB 4.18Å; R310-E316 WeakPolarHBondContact CD-OE2 3.34Å; R310-E316 HydrophobicContact CG-CB 3.99Å; R310-E316 PolarHBondContact O-N 2.72Å; I311-E316 HydrophobicContact CG1-CB 4Å
317S77.6Confident72.1Confident86 Ų86106.2 Ų106.260%0.60158%0.58SS**  trans-125.9114.4-176.368.20000113.1S319S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 3.16Å; S317-S319 VanDerWaalsContact O-N 3.08Å
318D69.1Low70.3Confident72 Ų72107.4 Ų107.439%0.38560%0.602SS.*  trans-84.851.4176.9-73.510.9000113.1R307 I311 V320R307-D318 IonicContact CZ-OD1 3.11Å; R307-D318 VanDerWaalsContact CZ-OD1 3.23Å; R307-D318 IonicContact CZ-OD2 2.62Å; R307-D318 VanDerWaalsContact NH1-CG 3.33Å; R307-D318 IonicContact NH1-OD1 3.38Å; R307-D318 PolarHBondContact NH1-OD1 2.7Å; R307-D318 IonicContact NH1-OD2 3.43Å; R307-D318 PolarHBondContact NH1-OD2 2.92Å; R307-D318 IonicContact NH2-OD1 2.99Å; R307-D318 PolarHBondContact NH2-OD1 2.8Å; R307-D318 IonicContact NH2-OD2 3.19Å; I311-D318 WeakPolarHBondContact CD1-OD2 3.33Å; D318-V320 PolarHBondContact O-N 3.27Å; D318-V320 VanDerWaalsContact O-N 3.13Å
319S68.9Low68.5Low70 Ų70112.6 Ų112.649%0.4962%0.619SS.*  trans-74.8107171.957.40000109.5S317 F321S317-S319 VanDerWaalsContact C-N 3.26Å; S317-S319 PolarHBondContact O-N 3.16Å; S317-S319 VanDerWaalsContact O-N 3.08Å; S319-F321 PolarHBondContact O-N 3.1Å
320V66.9Low66.4Low138 Ų138116 Ų11684%0.83664%0.639SS**SBendtrans-59.4-24.9168.2179.70000111.3D318 Q322D318-V320 PolarHBondContact O-N 3.27Å; D318-V320 VanDerWaalsContact O-N 3.13Å; V320-Q322 PolarHBondContact O-N 3.39Å; V320-Q322 VanDerWaalsContact O-N 3.09Å
321F66Low64Low180 Ų180122.9 Ų122.979%0.78967%0.672SS**SBendtrans-73.1100.7169.9-54.4-71.6000109.2S319 R323S319-F321 PolarHBondContact O-N 3.1Å; F321-R323 PolarHBondContact O-N 3.37Å; F321-R323 VanDerWaalsContact O-N 3.11Å
322Q63Low61.9Low183 Ų183132 Ų13286%0.85570%0.704SS**PPolyproline II helixtrans-54119.4158.8-70.4-179.4-3.400106.7V320V320-Q322 PolarHBondContact O-N 3.39Å; V320-Q322 VanDerWaalsContact O-N 3.09Å
323R58.9Low59.8Low216 Ų216139.1 Ų139.182%0.81571%0.712SS**PPolyproline II helixtrans-58.3126.5162.8-65.9-178.6-175.7-178.12.8104.7F321 N325F321-R323 PolarHBondContact O-N 3.37Å; F321-R323 VanDerWaalsContact O-N 3.11Å; R323-N325 PolarHBondContact O-N 2.76Å; R323-N325 VanDerWaalsContact O-N 3.17Å
324P57.3Low57.6Low106 Ų106139 Ų13969%0.68872%0.724SS**PPolyproline II helixtrans-51132.1172.522.4-31.6000106.7T326P324-T326 VanDerWaalsContact C-N 3.27Å; P324-T326 PolarHBondContact O-N 2.95Å
325N51.1Low55.5Low152 Ų152142.9 Ų142.981%0.81373%0.728SS**  trans-53.998176.4-76.5-17.2000107.3R323 S327R323-N325 PolarHBondContact O-N 2.76Å; R323-N325 VanDerWaalsContact O-N 3.17Å; N325-S327 PolarHBondContact O-N 3.17Å
326T50.2Low53.3Low133 Ų133142.3 Ų142.382%0.81674%0.735SS**  trans-8057.8168.556.60000107P324 S328P324-T326 VanDerWaalsContact C-N 3.27Å; P324-T326 PolarHBondContact O-N 2.95Å; T326-S328 PolarHBondContact O-N 3.25Å
327S47.4Very low51.3Low88 Ų88146.7 Ų146.762%0.61577%0.765SS**  trans-70.785.8153.549.20000106.3N325 E329N325-S327 PolarHBondContact O-N 3.17Å; S327-E329 PolarHBondContact O-N 2.83Å
328S47.3Very low49.3Very low114 Ų114147.6 Ų147.680%0.79777%0.767SS**SBendtrans54.911.3141.967.90000122.3T326T326-S328 PolarHBondContact O-N 3.25Å
329E49.8Very low47.7Very low183 Ų183155.8 Ų155.886%0.85579%0.792SS**SBendtrans-121.47.3-176.8-140-176.5159.200117.9S327S327-E329 PolarHBondContact O-N 2.83Å
330L42.2Very low46.3Very low175 Ų175159.9 Ų159.992%0.91680%0.804SS**  trans-12215.8175.6-78.9167.1000115.1R332L330-R332 PolarHBondContact O-N 2.97Å; L330-R332 VanDerWaalsContact O-N 3.13Å
331E38Very low44.9Very low173 Ų173159.8 Ų159.881%0.80880%0.798SS**  trans-79.587.6164-68.4-172.4173.200110
332R39.5Very low43.7Very low236 Ų236159.1 Ų159.189%0.89180%0.803SS**  trans164.762147.1-92.7175.4-91.3154.3-13112.4L330L330-R332 PolarHBondContact O-N 2.97Å; L330-R332 VanDerWaalsContact O-N 3.13Å
333R39.1Very low42.8Very low238 Ų238154.3 Ų154.390%0.89879%0.79SS**  trans-144.154.4153.5-68.7-165-176.9163.63.2111L335R333-L335 VanDerWaalsContact C-N 3.33Å; R333-L335 PolarHBondContact O-N 2.98Å
334V36.6Very low42.2Very low143 Ų143151.9 Ų151.987%0.86779%0.793SS**  trans-81.489.7163.3-177.50000106.5
335L36.6Very low41.8Very low145 Ų145150.9 Ų150.976%0.75979%0.789SS**  trans-76.1128.9162.3-74.6169.9000107.5R333 V337R333-L335 VanDerWaalsContact C-N 3.33Å; R333-L335 PolarHBondContact O-N 2.98Å; L335-V337 PolarHBondContact O-N 3.39Å; L335-V337 VanDerWaalsContact O-N 3.1Å
336P36Very low42.1Very low115 Ų115152.4 Ų152.475%0.74779%0.788SS**  trans-72.3105.6-177.528.2-30.9000108.8T338P336-T338 PolarHBondContact O-N 2.76Å
337V36.9Very low42.5Very low134 Ų134152.4 Ų152.481%0.81278%0.777SS**  trans-76.3116.5171.3178.10000107.8L335L335-V337 PolarHBondContact O-N 3.39Å; L335-V337 VanDerWaalsContact O-N 3.1Å
338T35.2Very low43.1Very low106 Ų106149.1 Ų149.165%0.6576%0.758SS**  trans-47.8133172.7300000111.7P336 E340P336-T338 PolarHBondContact O-N 2.76Å; T338-E340 PolarHBondContact O-N 2.62Å
339R35.7Very low44Very low244 Ų244147.1 Ų147.192%0.92174%0.744SS**  trans-65.696.4171.4-74.6170.5137.5127.5-5.3108.7
340E38.6Very low44.8Very low156 Ų156145 Ų14573%0.72973%0.731SS**  trans-114.4103.7165.6-68.3-174.9-175.200107.9T338T338-E340 PolarHBondContact O-N 2.62Å
341D38.6Very low45.8Very low135 Ų135138.1 Ų138.172%0.72270%0.695SS**  trans59.887.2148.8-53.6-30.3000118.1S343D341-S343 PolarHBondContact O-N 3.19Å
342D40.1Very low47.3Very low166 Ų166138.3 Ų138.389%0.88869%0.693SS**  trans-68.126.9168.1-71.6-49.6000114.4
343S44Very low48.7Very low83 Ų83135.7 Ų135.758%0.5869%0.69SS**  trans-99.5126-178.649.10000112.3D341D341-S343 PolarHBondContact O-N 3.19Å
344D45.9Very low50.5Low165 Ų165128.3 Ų128.388%0.88267%0.672SS**SBendtrans81.76.5167.2-59.5-17.8000120.8
345S49.1Very low52.5Low85 Ų85130.7 Ų130.759%0.59467%0.671SS**  trans-91.98.5-177.545.50000116.9F347S345-F347 PolarHBondContact O-N 3.11Å
346F57.5Low54.4Low183 Ų183124.5 Ų124.580%0.80364%0.642SS**THydrogen-bonded Turntrans-71.2-25.2-172.3-167.7-103.6000115.2
347F58.4Low56.6Low133 Ų133124 Ų12458%0.58363%0.632SS**THydrogen-bonded Turntrans-129.7103.1-178.6-142.4-97.4000110.9S345 W367S345-F347 PolarHBondContact O-N 3.11Å; F347-W367 HydrophobicContact CD1-CH2 4.14Å; F347-W367 HydrophobicContact CD1-CZ2 4.26Å; F347-W367 HydrophobicContact CE1-CH2 4.07Å; F347-W367 AromaticContact CE1-CZ2 3.84Å; F347-W367 HydrophobicContact CE1-CZ2 3.84Å
348G59.7Low58.4Low20 Ų20119.6 Ų119.621%0.20661%0.614CS.*THydrogen-bonded Turntrans124.11.4176.500000116.3F350 E351G348-F350 PolarHBondContact O-N 2.99Å; G348-E351 WeakPolarHBondContact O-CB 3.33Å; G348-E351 PolarHBondContact O-N 3.15Å
349S66.3Low60.5Low72 Ų72118.2 Ų118.250%0.50360%0.597SS.*G310 helixtrans-57.8-30.6173.755.60000113.1E351 K352S349-E351 VanDerWaalsContact C-N 3.26Å; S349-E351 PolarHBondContact O-N 3.42Å; S349-K352 WeakPolarHBondContact O-CB 3.46Å; S349-K352 WeakPolarHBondContact O-CG 3.21Å; S349-K352 PolarHBondContact O-N 2.76Å
350F66.7Low62.7Low137 Ų137115.2 Ų115.260%0.60159%0.586SS**G310 helixtrans-68.6-20.9174.175-89.4000113.5G348 K352G348-F350 PolarHBondContact O-N 2.99Å; F350-K352 VanDerWaalsContact C-N 3.28Å; F350-K352 PolarHBondContact O-N 3.41Å
351E64.1Low64.8Low32 Ų32112.6 Ų112.615%0.1558%0.576CS.*G310 helixtrans-79.5-7.7178.3-63.9-162.7144.800113G348 S349 H353 T354 R359G348-E351 WeakPolarHBondContact O-CB 3.33Å; G348-E351 PolarHBondContact O-N 3.15Å; S349-E351 VanDerWaalsContact C-N 3.26Å; S349-E351 PolarHBondContact O-N 3.42Å; E351-H353 PolarHBondContact O-N 2.93Å; E351-T354 PolarHBondContact O-N 2.86Å; E351-R359 WeakPolarHBondContact OE1-CB 3.48Å; E351-R359 PolarHBondContact OE1-N 2.94Å; E351-R359 WeakPolarHBondContact OE2-CB 3.3Å; E351-R359 WeakPolarHBondContact OE2-CD 3.41Å
352K68.2Low66.8Low176 Ų176109.7 Ų109.777%0.76556%0.56SS**G310 helixtrans-53.5-32177.5-74.6-174.1-179.4-176.20113.2S349 F350S349-K352 WeakPolarHBondContact O-CB 3.46Å; S349-K352 WeakPolarHBondContact O-CG 3.21Å; S349-K352 PolarHBondContact O-N 2.76Å; F350-K352 VanDerWaalsContact C-N 3.28Å; F350-K352 PolarHBondContact O-N 3.41Å
353H68.9Low68.8Low181 Ų181106.6 Ų106.684%0.83854%0.538SS*.G310 helixtrans-106.78.3-179.5-59.6-67000114E351E351-H353 PolarHBondContact O-N 2.93Å
354T78.3Confident70.5Confident83 Ų83111.1 Ų111.151%0.50955%0.548SS..SBendtrans-126.3159.4-178.875.80000111.4E351 G356E351-T354 PolarHBondContact O-N 2.86Å; T354-G356 PolarHBondContact O-N 3.38Å
355K79Confident72.1Confident193 Ų193109.2 Ų109.284%0.83953%0.533SS*.  trans-72.411.8-178.6-65.7-177.9179.5178.60114.1I357K355-I357 HydrophobicContact CB-CD1 4.15Å; K355-I357 HydrophobicContact CB-CG1 3.95Å; K355-I357 PolarHBondContact O-N 3.46Å; K355-I357 VanDerWaalsContact O-N 3.09Å
356G75.7Confident73.2Confident16 Ų16108 Ų10817%0.16553%0.534CS..  trans57.326.4179.600000114.7T354 G358 R360T354-G356 PolarHBondContact O-N 3.38Å; G356-G358 VanDerWaalsContact C-N 3.34Å; G356-G358 PolarHBondContact O-N 3.37Å; G356-R360 WeakPolarHBondContact O-CB 3.38Å; G356-R360 PolarHBondContact O-N 3.14Å
357I81.6Confident74.2Confident103 Ų103100.9 Ų100.953%0.52850%0.502SS..Hα-helixtrans-62.6-43.2-173-62.8166.6000110.5K355 L361K355-I357 HydrophobicContact CB-CD1 4.15Å; K355-I357 HydrophobicContact CB-CG1 3.95Å; K355-I357 PolarHBondContact O-N 3.46Å; K355-I357 VanDerWaalsContact O-N 3.09Å; I357-L361 VanDerWaalsContact O-CB 3.32Å; I357-L361 WeakPolarHBondContact O-CB 3.3Å; I357-L361 PolarHBondContact O-N 3.4Å
358G75.1Confident74.9Confident42 Ų42101.8 Ų101.843%0.43351%0.505SS..Hα-helixtrans-62.9-52-179.800000112.5G356 R360 L361 L362G356-G358 VanDerWaalsContact C-N 3.34Å; G356-G358 PolarHBondContact O-N 3.37Å; G358-R360 PolarHBondContact O-N 3.11Å; G358-L361 PolarHBondContact O-N 3.27Å; G358-L362 WeakPolarHBondContact O-CG 3.43Å; G358-L362 PolarHBondContact O-N 2.9Å
359R78.5Confident75.4Confident78 Ų78105 Ų10529%0.29452%0.515SS..Hα-helixtrans-62.3-40.7177.5-174.1173.1-176.7-133.21.9112.5E351 L361 L362 K363 W367 E369E351-R359 WeakPolarHBondContact OE1-CB 3.48Å; E351-R359 PolarHBondContact OE1-N 2.94Å; E351-R359 WeakPolarHBondContact OE2-CB 3.3Å; E351-R359 WeakPolarHBondContact OE2-CD 3.41Å; R359-L361 VanDerWaalsContact C-N 3.34Å; R359-L361 PolarHBondContact O-N 3.11Å; R359-L362 PolarHBondContact O-N 2.93Å; R359-K363 HydrophobicContact CG-CD 4.42Å; R359-K363 VanDerWaalsContact CZ-NZ 3.33Å; R359-K363 VanDerWaalsContact NH2-NZ 3.19Å; R359-K363 WeakPolarHBondContact O-CB 3.37Å; R359-K363 WeakPolarHBondContact O-CG 3.5Å; R359-K363 PolarHBondContact O-N 3.35Å; R359-W367 HydrophobicContact CG-CZ3 3.96Å; R359-E369 IonicContact CZ-OE1 3.19Å; R359-E369 IonicContact CZ-OE2 3.84Å; R359-E369 IonicContact NE-OE1 2.96Å; R359-E369 PolarHBondContact NE-OE1 3.44Å; R359-E369 IonicContact NH2-OE1 2.79Å; R359-E369 PolarHBondContact NH2-OE1 3.01Å; R359-E369 IonicContact NH2-OE2 2.78Å; R359-E369 PolarHBondContact NH2-OE2 3.43Å
360R81.9Confident75.5Confident181 Ų181105.3 Ų105.368%0.68353%0.529SS*.Hα-helixtrans-62.5-40.8175.4-173.1174.564.1150.70.3111.9G356 G358 K364G356-R360 WeakPolarHBondContact O-CB 3.38Å; G356-R360 PolarHBondContact O-N 3.14Å; G358-R360 PolarHBondContact O-N 3.11Å; R360-K364 PolarHBondContact O-N 3.46Å; R360-K364 VanDerWaalsContact O-N 3.12Å
361L82.5Confident75.6Confident100 Ų100101.5 Ų101.552%0.52452%0.517SS..Hα-helixtrans-66.2-43.3177.1-174.467.3000111.7I357 G358 R359 K364 H365I357-L361 VanDerWaalsContact O-CB 3.32Å; I357-L361 WeakPolarHBondContact O-CB 3.3Å; I357-L361 PolarHBondContact O-N 3.4Å; G358-L361 PolarHBondContact O-N 3.27Å; R359-L361 VanDerWaalsContact C-N 3.34Å; R359-L361 PolarHBondContact O-N 3.11Å; L361-K364 WeakPolarHBondContact O-CB 3.2Å; L361-K364 PolarHBondContact O-N 2.91Å; L361-H365 PolarHBondContact O-N 3.38Å; L361-H365 PolarHBondContact O-ND1 3.46Å
362L81.5Confident75.3Confident74 Ų74102.7 Ų102.739%0.38753%0.532SS..Hα-helixtrans-63.1-46.6177.4-76.6168.3000111.3G358 R359 K364 H365 G366 W367 I373G358-L362 WeakPolarHBondContact O-CG 3.43Å; G358-L362 PolarHBondContact O-N 2.9Å; R359-L362 PolarHBondContact O-N 2.93Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.04Å; L362-H365 CarbonylContact O-C 3.44Å; L362-H365 WeakPolarHBondContact O-CA 3.38Å; L362-H365 PolarHBondContact O-N 2.77Å; L362-G366 PolarHBondContact O-N 2.92Å; L362-W367 VanDerWaalsContact C-CB 3.45Å; L362-W367 HydrophobicContact CB-CB 3.71Å; L362-W367 HydrophobicContact CB-CD2 4.06Å; L362-W367 HydrophobicContact CB-CE3 4.1Å; L362-W367 HydrophobicContact CB-CG 3.92Å; L362-W367 WeakPolarHBondContact O-CB 3.39Å; L362-W367 PolarHBondContact O-N 3.15Å; L362-I373 HydrophobicContact CD2-CD1 3.82Å
363K81.2Confident75.3Confident101 Ų10198.9 Ų98.944%0.43952%0.519SS..Hα-helixtrans-58.4-39.3176-74.7-177.7179.3-175.30112.2R359 H365 G366 W367R359-K363 HydrophobicContact CG-CD 4.42Å; R359-K363 VanDerWaalsContact CZ-NZ 3.33Å; R359-K363 VanDerWaalsContact NH2-NZ 3.19Å; R359-K363 WeakPolarHBondContact O-CB 3.37Å; R359-K363 WeakPolarHBondContact O-CG 3.5Å; R359-K363 PolarHBondContact O-N 3.35Å; K363-H365 PolarHBondContact O-N 3Å; K363-G366 PolarHBondContact O-N 3.01Å; K363-G366 VanDerWaalsContact O-N 3.11Å; K363-W367 HydrophobicContact CG-CE3 4.06Å; K363-W367 HydrophobicContact CG-CZ3 4.48Å
364K80.6Confident75Confident179 Ų17993 Ų9378%0.77851%0.508SS*.Hα-helixtrans-61.8-30.2175.4-171178.2179.2-177.70112.7R360 L361 L362 G366R360-K364 PolarHBondContact O-N 3.46Å; R360-K364 VanDerWaalsContact O-N 3.12Å; L361-K364 WeakPolarHBondContact O-CB 3.2Å; L361-K364 PolarHBondContact O-N 2.91Å; L362-K364 VanDerWaalsContact C-N 3.28Å; L362-K364 PolarHBondContact O-N 3.04Å; K364-G366 VanDerWaalsContact C-N 3.34Å
365H78.5Confident74.1Confident125 Ų125101.6 Ų101.658%0.57953%0.531SS*.THydrogen-bonded Turntrans-95.318.5177.7-65.687.5000113.1L361 L362 K363 I373L361-H365 PolarHBondContact O-N 3.38Å; L361-H365 PolarHBondContact O-ND1 3.46Å; L362-H365 CarbonylContact O-C 3.44Å; L362-H365 WeakPolarHBondContact O-CA 3.38Å; L362-H365 PolarHBondContact O-N 2.77Å; K363-H365 PolarHBondContact O-N 3Å; H365-I373 HydrophobicContact CB-CD1 4.09Å
366G72.9Confident73Confident58 Ų58103.1 Ų103.160%0.59853%0.531SS*.THydrogen-bonded Turntrans86.911.3173.100000115.3L362 K363 K364L362-G366 PolarHBondContact O-N 2.92Å; K363-G366 PolarHBondContact O-N 3.01Å; K363-G366 VanDerWaalsContact O-N 3.11Å; K364-G366 VanDerWaalsContact C-N 3.34Å
367W77.9Confident71.7Confident35 Ų35104.8 Ų104.813%0.13355%0.548CS..  trans-73.3139.2172.2-176.681.2000111.7F347 R359 L362 K363 E369 T371 I373F347-W367 HydrophobicContact CD1-CH2 4.14Å; F347-W367 HydrophobicContact CD1-CZ2 4.26Å; F347-W367 HydrophobicContact CE1-CH2 4.07Å; F347-W367 AromaticContact CE1-CZ2 3.84Å; F347-W367 HydrophobicContact CE1-CZ2 3.84Å; R359-W367 HydrophobicContact CG-CZ3 3.96Å; L362-W367 VanDerWaalsContact C-CB 3.45Å; L362-W367 HydrophobicContact CB-CB 3.71Å; L362-W367 HydrophobicContact CB-CD2 4.06Å; L362-W367 HydrophobicContact CB-CE3 4.1Å; L362-W367 HydrophobicContact CB-CG 3.92Å; L362-W367 WeakPolarHBondContact O-CB 3.39Å; L362-W367 PolarHBondContact O-N 3.15Å; K363-W367 HydrophobicContact CG-CE3 4.06Å; K363-W367 HydrophobicContact CG-CZ3 4.48Å; W367-E369 HydrophobicContact CH2-CG 4.18Å; W367-T371 VanDerWaalsContact CD1-O 3.25Å; W367-T371 PolarHBondContact NE1-O 2.71Å; W367-I373 HydrophobicContact CB-CD1 4.06Å
368K73.5Confident70.2Confident152 Ų152103.1 Ų103.166%0.66155%0.55SS**  trans-128.2152.3171.1-64.7-178.6-178.7179.40108.5G370 T371K368-G370 PolarHBondContact O-N 2.9Å; K368-T371 PolarHBondContact O-N 3.33Å
369E70.5Confident69Low88 Ų88105.8 Ų105.841%0.41156%0.562SS.*THydrogen-bonded Turntrans-49.6133.8172-112.7103.4-139.200109.8R359 W367 T371R359-E369 IonicContact CZ-OE1 3.19Å; R359-E369 IonicContact CZ-OE2 3.84Å; R359-E369 IonicContact NE-OE1 2.96Å; R359-E369 PolarHBondContact NE-OE1 3.44Å; R359-E369 IonicContact NH2-OE1 2.79Å; R359-E369 PolarHBondContact NH2-OE1 3.01Å; R359-E369 IonicContact NH2-OE2 2.78Å; R359-E369 PolarHBondContact NH2-OE2 3.43Å; W367-E369 HydrophobicContact CH2-CG 4.18Å; E369-T371 VanDerWaalsContact C-N 3.25Å; E369-T371 PolarHBondContact O-N 3.49Å
370G68Low67.5Low77 Ų77107.2 Ų107.279%0.79458%0.579SS**THydrogen-bonded Turntrans74.9-0.9-17900000116.3K368K368-G370 PolarHBondContact O-N 2.9Å
371T69.3Low65.8Low58 Ų58103 Ų10336%0.35658%0.576SS.*  trans-117.4137.2-176.8-43.80000112W367 K368 E369W367-T371 VanDerWaalsContact CD1-O 3.25Å; W367-T371 PolarHBondContact NE1-O 2.71Å; K368-T371 PolarHBondContact O-N 3.33Å; E369-T371 VanDerWaalsContact C-N 3.25Å; E369-T371 PolarHBondContact O-N 3.49Å
372A58.7Low64.3Low56 Ų56103.3 Ų103.346%0.46358%0.581SS.*  trans-72.3154.4172.200000111.8
373I66.6Low62.9Low96 Ų96103.5 Ų103.549%0.49259%0.593SS.*SBendtrans-80133.6176.5-140.9153.8000110.1L362 H365 W367L362-I373 HydrophobicContact CD2-CD1 3.82Å; H365-I373 HydrophobicContact CB-CD1 4.09Å; W367-I373 HydrophobicContact CB-CD1 4.06Å
374G62.2Low61.4Low58 Ų58103.8 Ų103.860%0.59860%0.599SS**SBendtrans125.7166.7176.500000115R376G374-R376 PolarHBondContact O-N 2.79Å; G374-R376 VanDerWaalsContact O-N 3.15Å
375R60.4Low59.9Low264 Ų264101.5 Ų101.5100%0.99660%0.595SS**SBendtrans-62.7-18.9-176-77-172.1-171.7-154.12.3114.6
376R55.4Low58.5Low225 Ų225100.9 Ų100.985%0.84959%0.594SS**  trans-106.784.3176-65.6-178.1179.3174.1-0.5107.1G374 A378G374-R376 PolarHBondContact O-N 2.79Å; G374-R376 VanDerWaalsContact O-N 3.15Å; R376-A378 PolarHBondContact O-N 3.13Å
377G49.1Very low57.3Low50 Ų50105.1 Ų105.152%0.51560%0.6SS.*  trans-68.747.3173.400000112.4S379G377-S379 PolarHBondContact O-N 3.08Å
378A49.1Very low56.1Low69 Ų69111 Ų11157%0.5763%0.633SS**  trans-73.8108.5175.800000107.9R376 V380R376-A378 PolarHBondContact O-N 3.13Å; A378-V380 VanDerWaalsContact C-N 3.27Å; A378-V380 PolarHBondContact O-N 3.29Å
379S49.8Very low55.1Low97 Ų97109 Ų10968%0.67863%0.633SS**  trans-65.881.4171.9540000110.1G377G377-S379 PolarHBondContact O-N 3.08Å
380V47.4Very low54.4Low108 Ų108107.4 Ų107.466%0.65564%0.636SS**  trans-122.398156.9-171.10000106.4A378 V382A378-V380 VanDerWaalsContact C-N 3.27Å; A378-V380 PolarHBondContact O-N 3.29Å; V380-V382 HydrophobicContact CB-CG2 4.28Å; V380-V382 HydrophobicContact CG1-CG2 3.71Å; V380-V382 PolarHBondContact O-N 3.1Å
381P46.4Very low53.9Low94 Ų94108.3 Ų108.361%0.6162%0.619SS**  trans-71.282171.830.6-31.7000107.9A383P381-A383 PolarHBondContact O-N 3.07Å
382V50.6Low53.2Low106 Ų106107.6 Ų107.664%0.64262%0.616SS**THydrogen-bonded Turntrans-63.5-2174-179.60000111.7V380V380-V382 HydrophobicContact CB-CG2 4.28Å; V380-V382 HydrophobicContact CG1-CG2 3.71Å; V380-V382 PolarHBondContact O-N 3.1Å
383A52.4Low53.3Low78 Ų78111.5 Ų111.565%0.64564%0.637SS**THydrogen-bonded Turntrans-82.3-19.1-178.100000115.1P381P381-A383 PolarHBondContact O-N 3.07Å
384I51.1Low52.8Low107 Ų107118.2 Ų118.255%0.54966%0.656SS.*SBendtrans-87.2-32.3-174-56.4178.1000112.3M386 M387I384-M386 PolarHBondContact O-N 2.9Å; I384-M386 VanDerWaalsContact O-N 3.16Å; I384-M387 PolarHBondContact O-N 3.05Å
385D48.7Very low52.7Low131 Ų131119.8 Ų119.870%0.70165%0.648SS**G310 helixtrans-72-12.1-180-132.28.5000112.9M387D385-M387 VanDerWaalsContact C-N 3.31Å
386M48.4Very low52.7Low112 Ų112114 Ų11455%0.55263%0.63SS**G310 helixtrans-73.9-14.2166.8-93.2-164.8-9800113.4I384 L388 T389 A390I384-M386 PolarHBondContact O-N 2.9Å; I384-M386 VanDerWaalsContact O-N 3.16Å; M386-L388 PolarHBondContact O-N 3.48Å; M386-T389 CarbonylContact O-C 3.52Å; M386-T389 PolarHBondContact O-N 3.42Å; M386-T389 VanDerWaalsContact O-N 3.1Å; M386-A390 WeakPolarHBondContact O-CA 3.33Å; M386-A390 WeakPolarHBondContact O-CB 3.48Å; M386-A390 PolarHBondContact O-N 3.16Å
387M48.6Very low53Low147 Ų147108.1 Ų108.172%0.72462%0.615SS**G310 helixtrans-65.9-25.4176.8-83.2-173.459.700113.5I384 D385I384-M387 PolarHBondContact O-N 3.05Å; D385-M387 VanDerWaalsContact C-N 3.31Å
388L52.6Low53.6Low158 Ų158107.9 Ų107.983%0.82761%0.613SS**G310 helixtrans-82.4-19174.4-71.8167.7000112.7M386M386-L388 PolarHBondContact O-N 3.48Å
389T52.2Low54.4Low109 Ų109112.2 Ų112.267%0.66963%0.632SS**THydrogen-bonded Turntrans-113.5-12.1-178.7650000114.2M386M386-T389 CarbonylContact O-C 3.52Å; M386-T389 PolarHBondContact O-N 3.42Å; M386-T389 VanDerWaalsContact O-N 3.1Å
390A55.4Low54.8Low56 Ų56109.5 Ų109.546%0.46362%0.619SS.*SBendtrans-84.9121.3179.500000108.1M386 S392M386-A390 WeakPolarHBondContact O-CA 3.33Å; M386-A390 WeakPolarHBondContact O-CB 3.48Å; M386-A390 PolarHBondContact O-N 3.16Å; A390-S392 PolarHBondContact O-N 2.96Å
391Q57.8Low55.5Low96 Ų96112.3 Ų112.345%0.44962%0.619SS.*PPolyproline II helixtrans-56.2132173.5-75.3171.8-23.700110.2E395 L397 G398Q391-E395 WeakPolarHBondContact CA-OE2 3.16Å; Q391-E395 HydrophobicContact CB-CB 4.3Å; Q391-L397 PolarHBondContact NE2-O 3.06Å; Q391-L397 PolarHBondContact OE1-O 3Å; Q391-G398 PolarHBondContact NE2-O 3.21Å
392S54.5Low56.2Low42 Ų42117 Ų11729%0.29462%0.624SS.*PPolyproline II helixtrans-66151.6172.172.50000110.1A390 R394 E395A390-S392 PolarHBondContact O-N 2.96Å; S392-R394 PolarHBondContact O-N 3.38Å; S392-E395 WeakPolarHBondContact CB-OE1 3.26Å; S392-E395 PolarHBondContact N-OE2 2.96Å; S392-E395 WeakPolarHBondContact O-CA 3.13Å; S392-E395 WeakPolarHBondContact O-CB 3.39Å; S392-E395 PolarHBondContact O-N 3.02Å; S392-E395 VanDerWaalsContact OG-CG 3.3Å; S392-E395 WeakPolarHBondContact OG-CG 3.1Å; S392-E395 PolarHBondContact OG-N 3.09Å; S392-E395 PolarHBondContact OG-OE1 2.79Å
393P59.8Low57Low139 Ų139113.7 Ų113.790%0.90361%0.612SS**THydrogen-bonded Turntrans-59.1-16.4174.6-25.634.5000114.2
394R55.9Low57.9Low236 Ų236117.9 Ų117.989%0.89162%0.618SS**THydrogen-bonded Turntrans-83.9-22.7173.7-74.5-179155.3153.7-4.5112.5S392 K396S392-R394 PolarHBondContact O-N 3.38Å; R394-K396 PolarHBondContact O-N 3Å; R394-K396 VanDerWaalsContact O-N 3.17Å
395E60.7Low58.7Low91 Ų91122 Ų12243%0.42563%0.632SS.*  trans-79.892.2171.5-75.4156.6-130.600109.4Q391 S392 L397Q391-E395 WeakPolarHBondContact CA-OE2 3.16Å; Q391-E395 HydrophobicContact CB-CB 4.3Å; S392-E395 WeakPolarHBondContact CB-OE1 3.26Å; S392-E395 PolarHBondContact N-OE2 2.96Å; S392-E395 WeakPolarHBondContact O-CA 3.13Å; S392-E395 WeakPolarHBondContact O-CB 3.39Å; S392-E395 PolarHBondContact O-N 3.02Å; S392-E395 VanDerWaalsContact OG-CG 3.3Å; S392-E395 WeakPolarHBondContact OG-CG 3.1Å; S392-E395 PolarHBondContact OG-N 3.09Å; S392-E395 PolarHBondContact OG-OE1 2.79Å; E395-L397 HydrophobicContact CB-CD1 4.16Å; E395-L397 HydrophobicContact CG-CD1 4.16Å; E395-L397 PolarHBondContact O-N 2.78Å
396K60.7Low59.7Low142 Ų142122 Ų12262%0.61763%0.631SS**  trans-72.422.2171.6-63.3-176.2175.7-174.90113.2R394 G398R394-K396 PolarHBondContact O-N 3Å; R394-K396 VanDerWaalsContact O-N 3.17Å; K396-G398 PolarHBondContact O-N 3.39Å
397L61.6Low60.4Low103 Ų103123.4 Ų123.454%0.53964%0.637SS.*  trans-77.9116.8-179.4-70.8155000106.9Q391 E395Q391-L397 PolarHBondContact NE2-O 3.06Å; Q391-L397 PolarHBondContact OE1-O 3Å; E395-L397 HydrophobicContact CB-CD1 4.16Å; E395-L397 HydrophobicContact CG-CD1 4.16Å; E395-L397 PolarHBondContact O-N 2.78Å
398G62.2Low61.2Low45 Ų45126.8 Ų126.846%0.46464%0.641SS.*  trans-65.4177.9-18000000114.3Q391 K396 G400Q391-G398 PolarHBondContact NE2-O 3.21Å; K396-G398 PolarHBondContact O-N 3.39Å; G398-G400 PolarHBondContact O-N 2.93Å
399V65.2Low61.8Low160 Ų160128.8 Ų128.897%0.9764%0.639SS**SBendtrans-71.419.6-173.7-130.70000115.7
400G58.8Low61.8Low39 Ų39127.2 Ų127.240%0.40265%0.645SS.*SBendtrans-94147.9-172.300000114.2G398 R402G398-G400 PolarHBondContact O-N 2.93Å; G400-R402 PolarHBondContact O-N 3.39Å
401Y63Low62.1Low167 Ų167131.8 Ų131.866%0.65566%0.66SS**  trans-58129.6168.3177.8-99.4000110.6
402R59.7Low62Low192 Ų192132 Ų13273%0.72567%0.672SS**  trans-132.431.6-179.5-66.4-66.4-163.7-83.1-2.3112.1G400G400-R402 PolarHBondContact O-N 3.39Å
403G67Low62.3Low38 Ų38139 Ų13939%0.39270%0.698SS.*SBendtrans-73.3177.6165.600000111.6K405G403-K405 PolarHBondContact O-N 3.46Å
404E71.2Confident62.6Low166 Ų166137.9 Ų137.978%0.77669%0.691SS**SBendtrans-47.7134.2170.5-168177.4173.500109.8L406E404-L406 PolarHBondContact O-N 2.93Å
405K69Low62.8Low192 Ų192135.2 Ų135.284%0.83569%0.688SS**  trans-56.3114.9178.3-75.7-175.4178.9177.70107.2G403 Q407G403-K405 PolarHBondContact O-N 3.46Å; K405-Q407 PolarHBondContact O-N 2.78Å
406L68.7Low63Low131 Ų131135.3 Ų135.369%0.68670%0.697SS**  trans-55.4110.1173.3-65.7172.2000107.5E404 R408E404-L406 PolarHBondContact O-N 2.93Å; L406-R408 PolarHBondContact O-N 3.18Å
407Q64Low63.2Low143 Ų143135.3 Ų135.367%0.66871%0.708SS**  trans-61.7101174.1-74-172.10.700107.2K405 Y409K405-Q407 PolarHBondContact O-N 2.78Å; Q407-Y409 PolarHBondContact O-N 3.09Å
408R65.9Low63.5Low217 Ų217137.3 Ų137.382%0.81972%0.72SS**SBendtrans-74.5-14.2179.5-62.7-171.3-161.1-169.64.7112.4L406L406-R408 PolarHBondContact O-N 3.18Å
409Y64.2Low63.6Low201 Ų201140.6 Ų140.679%0.78873%0.726SS**SBendtrans-139.4125.1-178.6-59.4-73.2000110.6Q407 L411Q407-Y409 PolarHBondContact O-N 3.09Å; Y409-L411 VanDerWaalsContact C-N 3.34Å; Y409-L411 PolarHBondContact O-N 3.11Å
410G53.8Low63.8Low76 Ų76140 Ų14078%0.78472%0.716SS**  trans-79.563.1-169.900000115.2
411L60.1Low64Low151 Ų151147.7 Ų147.779%0.79173%0.733SS**  trans-130.384.9169.7-69.1167.1000109.2Y409 K413Y409-L411 VanDerWaalsContact C-N 3.34Å; Y409-L411 PolarHBondContact O-N 3.11Å; L411-K413 PolarHBondContact O-N 3.25Å
412S56.9Low64.3Low100 Ų100143 Ų14370%0.69972%0.722SS**  trans-66.4104.4157.366.20000106.5
413K60.5Low64.7Low189 Ų189139.4 Ų139.482%0.82272%0.72SS**PPolyproline II helixtrans-62.2126.5170-74.4-179.1177.7179.80107.3L411 E415L411-K413 PolarHBondContact O-N 3.25Å; K413-E415 PolarHBondContact O-N 2.95Å
414P66Low64.4Low117 Ų117145.8 Ų145.876%0.7673%0.734SS**PPolyproline II helixtrans-59.5132.7174.424.3-31.9000109
415E59.4Low64.1Low179 Ų179142.4 Ų142.484%0.83672%0.721SS**PPolyproline II helixtrans-61128.7173.4-70-171.7156.400108.9K413 V417K413-E415 PolarHBondContact O-N 2.95Å; E415-V417 PolarHBondContact O-N 2.99Å
416P64.9Low64Low94 Ų94139.9 Ų139.961%0.6171%0.712SS**PPolyproline II helixtrans-64.6122.1176.525.2-31.2000109.3N418P416-N418 PolarHBondContact O-N 2.74Å; P416-N418 VanDerWaalsContact O-N 3.07Å
417V65.6Low63.7Low141 Ų141144.1 Ų144.186%0.85573%0.725SS**SBendtrans-57.8-24.3-179-173.80000112.2E415E415-V417 PolarHBondContact O-N 2.99Å
418N66.9Low63.7Low145 Ų145141 Ų14178%0.77573%0.731SS**  trans-109.565.4-179-59-20.5000110.8P416 I420P416-N418 PolarHBondContact O-N 2.74Å; P416-N418 VanDerWaalsContact O-N 3.07Å; N418-I420 PolarHBondContact O-N 3.36Å
419L64.5Low63.5Low115 Ų115133.6 Ų133.660%0.60271%0.712SS**  trans-79.1101.2169.4-172.469.8000108.8R421L419-R421 HydrophobicContact CD2-CG 4.29Å; L419-R421 HydrophobicContact CG-CG 4.39Å; L419-R421 PolarHBondContact O-N 3.2Å
420I69.6Low63.4Low147 Ų147129 Ų12975%0.75470%0.701SS**  trans-66.3105.9169.6-59.4172.2000106.7N418N418-I420 PolarHBondContact O-N 3.36Å
421R64.5Low64Low201 Ų201133.2 Ų133.276%0.75870%0.698SS**  trans-85.9129.8171.5-68.1-177-177.4161.92.8109.2L419 D425L419-R421 HydrophobicContact CD2-CG 4.29Å; L419-R421 HydrophobicContact CG-CG 4.39Å; L419-R421 PolarHBondContact O-N 3.2Å; R421-D425 VanDerWaalsContact CA-OD2 3.27Å; R421-D425 WeakPolarHBondContact CA-OD2 2.96Å
422T69.1Low64.5Low69 Ų69134.1 Ų134.142%0.42370%0.698SS.*  trans-98.5163.8168.463.80000109.4Y424 D425T422-Y424 PolarHBondContact O-N 3.18Å; T422-D425 PolarHBondContact N-OD2 3.17Å; T422-D425 WeakPolarHBondContact O-CB 3.31Å; T422-D425 PolarHBondContact O-N 3.37Å; T422-D425 PolarHBondContact OG1-OD2 3Å
423V67.2Low65.2Low115 Ų115133 Ų13370%0.69768%0.682SS**G310 helixtrans-56.3-20.8174-176.10000111.5
424Y59.8Low66.1Low173 Ų173127.6 Ų127.668%0.67867%0.665SS**G310 helixtrans-79.6-11.2176.7-50.5-73.5000114.4T422 E426 C429T422-Y424 PolarHBondContact O-N 3.18Å; Y424-E426 VanDerWaalsContact C-N 3.29Å; Y424-C429 PolarHBondContact O-SG 3Å
425D65.6Low66.7Low94 Ų94124.3 Ų124.350%0.50364%0.64SS.*G310 helixtrans-84.7-4.3175-63.5-53000112.7R421 T422 K427R421-D425 VanDerWaalsContact CA-OD2 3.27Å; R421-D425 WeakPolarHBondContact CA-OD2 2.96Å; T422-D425 PolarHBondContact N-OD2 3.17Å; T422-D425 WeakPolarHBondContact O-CB 3.31Å; T422-D425 PolarHBondContact O-N 3.37Å; T422-D425 PolarHBondContact OG1-OD2 3Å; D425-K427 PolarHBondContact O-N 3.18Å
426E66.2Low67.7Low139 Ų139119 Ų11965%0.6562%0.618SS**SBendtrans-69.4121.1174.4-68.1-172171.300110.3Y424 G428Y424-E426 VanDerWaalsContact C-N 3.29Å; E426-G428 PolarHBondContact O-N 2.82Å
427K63.6Low68.1Low221 Ų221123.9 Ų123.996%0.96162%0.624SS**THydrogen-bonded Turntrans-57.4112.9178.6-66-180179.9178.20109.7D425D425-K427 PolarHBondContact O-N 3.18Å
428G63.5Low68.4Low77 Ų77124.6 Ų124.679%0.79461%0.611SS**THydrogen-bonded Turntrans130.5-1.2174.100000115.8E426E426-G428 PolarHBondContact O-N 2.82Å
429C61Low68.5Low61 Ų61118.8 Ų118.841%0.41258%0.583SS.*  trans-74.9-30.5175.963.60000113.7Y424Y424-C429 PolarHBondContact O-SG 3Å
430D62.8Low68.4Low104 Ų104121.4 Ų121.456%0.55659%0.592SS**SBendtrans-79.9125.4-177.5-67.5-24.6000110.9T442D430-T442 WeakPolarHBondContact OD1-CG2 3.4Å; D430-T442 PolarHBondContact OD1-OG1 3.31Å
431K67.5Low68Low165 Ų165119 Ų11972%0.71758%0.581SS**PPolyproline II helixtrans-63.9139.6172.5-63.2176.3-175.3168.30109.2E433 A439K431-E433 PolarHBondContact O-N 3.27Å; K431-A439 VanDerWaalsContact O-CB 3.3Å; K431-A439 WeakPolarHBondContact O-CB 3.31Å
432E69.4Low67.8Low171 Ų171113.4 Ų113.480%0.79957%0.569SS**PPolyproline II helixtrans-60.2134174.7-62.9-170.8165.600110.8T434E432-T434 PolarHBondContact O-N 2.91Å
433E72.6Confident67.5Low77 Ų77116.5 Ų116.536%0.3658%0.577SS.*PPolyproline II helixtrans-65.5121.7176.3-69.1-16817100110.6R306 R310 K431 R438 A439R306-E433 IonicContact CZ-OE2 3.63Å; R306-E433 IonicContact NH2-OE2 3.69Å; R306-E433 PolarHBondContact NH2-OE2 2.72Å; R310-E433 PolarHBondContact NH1-O 2.93Å; K431-E433 PolarHBondContact O-N 3.27Å; E433-R438 IonicContact OE1-CZ 2.76Å; E433-R438 IonicContact OE1-NH1 2.85Å; E433-R438 PolarHBondContact OE1-NH1 3.16Å; E433-R438 IonicContact OE1-NH2 3.23Å; E433-R438 IonicContact OE2-NH1 3.77Å; E433-A439 HydrophobicContact CG-CB 3.94Å
434T78.7Confident67Low74 Ų74116.9 Ų116.945%0.45458%0.579SS.*PPolyproline II helixtrans-75.8169.317367.10000111.9R306 R310 E432 R437R306-T434 PolarHBondContact NH2-O 3.31Å; R310-T434 PolarHBondContact NH2-O 3.34Å; E432-T434 PolarHBondContact O-N 2.91Å; T434-R437 PolarHBondContact N-O 3.09Å; T434-R437 VanDerWaalsContact N-O 3.11Å; T434-R437 VanDerWaalsContact O-O 3.1Å; T434-R437 WeakPolarHBondContact OG1-CA 3.29Å; T434-R437 WeakPolarHBondContact OG1-CB 3.49Å; T434-R437 PolarHBondContact OG1-N 3.06Å; T434-R437 PolarHBondContact OG1-O 3.33Å
435L78.1Confident66.5Low48 Ų48116.2 Ų116.225%0.25158%0.579SS.*SBendtrans-61.6-48.9177.5-83.2168.3000111.7R306 R307 R310R306-L435 WeakPolarHBondContact CD-O 3.46Å; R306-L435 PolarHBondContact NH1-O 3.07Å; R307-L435 HydrophobicContact CB-CD2 4.06Å; R307-L435 HydrophobicContact CG-CD2 4.3Å; R310-L435 VanDerWaalsContact CZ-CD2 3.5Å; R310-L435 VanDerWaalsContact CZ-CG 3.5Å; R310-L435 VanDerWaalsContact NH1-N 3.11Å
436L80.3Confident65.7Low69 Ų69118.8 Ų118.836%0.36159%0.589SS.*SBendtrans-85.4-32.5-174.8-58176.5000111.8Y285 L303Y285-L436 HydrophobicContact CD1-CB 4.17Å; Y285-L436 WeakPolarHBondContact CD1-O 3.44Å; Y285-L436 WeakPolarHBondContact CE1-O 3.31Å; L303-L436 HydrophobicContact CD1-CD2 3.47Å; L303-L436 VanDerWaalsContact CD1-CD2 3.47Å; L303-L436 HydrophobicContact CD2-CD2 4.2Å
437R74.9Confident64.7Low195 Ų195118.5 Ų118.574%0.73659%0.587SS**  trans-118.5131.3-178.5-76.9-172.8-86.5-164.5-7.3112.8T434T434-R437 PolarHBondContact N-O 3.09Å; T434-R437 VanDerWaalsContact N-O 3.11Å; T434-R437 VanDerWaalsContact O-O 3.1Å; T434-R437 WeakPolarHBondContact OG1-CA 3.29Å; T434-R437 WeakPolarHBondContact OG1-CB 3.49Å; T434-R437 PolarHBondContact OG1-N 3.06Å; T434-R437 PolarHBondContact OG1-O 3.33Å
438R71.1Confident63.8Low157 Ų157116.2 Ų116.259%0.59258%0.577SS**PPolyproline II helixtrans-64.2140.8162.3-166.8169.8179.165.78.6108.2E433E433-R438 IonicContact OE1-CZ 2.76Å; E433-R438 IonicContact OE1-NH1 2.85Å; E433-R438 PolarHBondContact OE1-NH1 3.16Å; E433-R438 IonicContact OE1-NH2 3.23Å; E433-R438 IonicContact OE2-NH1 3.77Å
439A68.1Low63.1Low23 Ų23124 Ų12419%0.1958%0.583CS.*PPolyproline II helixtrans-63.8140.5171.700000108.6K431 E433 L441K431-A439 VanDerWaalsContact O-CB 3.3Å; K431-A439 WeakPolarHBondContact O-CB 3.31Å; E433-A439 HydrophobicContact CG-CB 3.94Å; A439-L441 PolarHBondContact O-N 3.02Å
440E63.7Low62.6Low170 Ų170132.9 Ų132.979%0.79461%0.607SS**PPolyproline II helixtrans-56.1127.4169.5-71173.5178.800108.1T442E440-T442 PolarHBondContact O-N 2.85Å
441L61.2Low61.7Low97 Ų97137.2 Ų137.251%0.50865%0.646SS.*PPolyproline II helixtrans-64.5120.4170.9-67.5169.6000106.8A439 F443A439-L441 PolarHBondContact O-N 3.02Å; L441-F443 HydrophobicContact CB-CD1 4.42Å; L441-F443 HydrophobicContact CB-CE1 4.36Å; L441-F443 HydrophobicContact CD1-CZ 4.42Å; L441-F443 HydrophobicContact CD2-CE1 3.83Å; L441-F443 HydrophobicContact CD2-CZ 3.97Å; L441-F443 PolarHBondContact O-N 2.89Å
442T60.4Low61.4Low83 Ų83135.8 Ų135.851%0.50964%0.642SS.*SBendtrans-64.4-8.3174.845.20000112.4D430 E440D430-T442 WeakPolarHBondContact OD1-CG2 3.4Å; D430-T442 PolarHBondContact OD1-OG1 3.31Å; E440-T442 PolarHBondContact O-N 2.85Å
443F62.7Low61Low133 Ų133133.9 Ų133.958%0.58363%0.634SS**  trans-117.8123.917365.8-84.9000111.9L441L441-F443 HydrophobicContact CB-CD1 4.42Å; L441-F443 HydrophobicContact CB-CE1 4.36Å; L441-F443 HydrophobicContact CD1-CZ 4.42Å; L441-F443 HydrophobicContact CD2-CE1 3.83Å; L441-F443 HydrophobicContact CD2-CZ 3.97Å; L441-F443 PolarHBondContact O-N 2.89Å
444V56Low60.4Low123 Ų123137.1 Ų137.175%0.74565%0.649SS**  trans-96.6115.7158178.40000106.5Q446V444-Q446 HydrophobicContact CG1-CG 4.36Å; V444-Q446 PolarHBondContact O-N 3.32Å
445K48.6Very low59.3Low159 Ų159140.8 Ų140.869%0.69166%0.661SS**  trans-70.683.4175.3-165178.9-177.8-175.10108.6H447K445-H447 WeakPolarHBondContact CD-NE2 3.5Å; K445-H447 WeakPolarHBondContact CE-NE2 3.5Å; K445-H447 PolarHBondContact O-N 3.1Å
446Q49.2Very low58.1Low149 Ų149146.6 Ų146.670%0.69669%0.686SS**  trans-66.699.9173.3-74.6-167.3-5.300108.9V444 K448V444-Q446 HydrophobicContact CG1-CG 4.36Å; V444-Q446 PolarHBondContact O-N 3.32Å; Q446-K448 VanDerWaalsContact C-N 3.26Å; Q446-K448 PolarHBondContact O-N 3.19Å
447H45.1Very low56.6Low132 Ų132151.8 Ų151.861%0.61171%0.708SS**  trans-71.688.1162-75-89.9000107.4K445 W449K445-H447 WeakPolarHBondContact CD-NE2 3.5Å; K445-H447 WeakPolarHBondContact CE-NE2 3.5Å; K445-H447 PolarHBondContact O-N 3.1Å; H447-W449 PolarHBondContact O-N 3.13Å
448K45.5Very low55.3Low173 Ų173148.7 Ų148.775%0.75271%0.706SS**  trans-64.9107.7166.5-80.7-172.4175.7-178.40107.9Q446 R450Q446-K448 VanDerWaalsContact C-N 3.26Å; Q446-K448 PolarHBondContact O-N 3.19Å; K448-R450 PolarHBondContact O-N 3.27Å
449W47.5Very low54.1Low241 Ų241148.1 Ų148.191%0.91372%0.715SS**  trans-55.8120163.1-63.388.4000107.5H447 S451H447-W449 PolarHBondContact O-N 3.13Å; W449-S451 PolarHBondContact O-N 2.89Å
450R50.4Low53Low247 Ų247158.5 Ų158.593%0.93276%0.758SS**  trans-75.9113.1168.6-69.7-176.1171.2-141.6-1106.2K448K448-R450 PolarHBondContact O-N 3.27Å
451S45.2Very low52Low195 Ų195157.5 Ų157.5100%1.36476%0.755SS**  trans-620162.8-85.50000111.3W449W449-S451 PolarHBondContact O-N 2.89Å

Retrieved 451 of 451 residues in 674.6 ms (Link to these results)

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