A0A060W6L7_ONCMY Loading...

Serine/threonine-protein kinase Nek2

AlphaFold DB , UniProt , Accession A0A060W6L7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 446 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
1M46.8Very low87.4Confident214 Ų21485.2 Ų85.2100%1.05444%0.437SS*.  0135.20-73.6-77.2-178.400107.5
2P73.3Confident88.1Confident107 Ų10788.1 Ų88.170%0.69544%0.439SS*.  trans-62137.6167.527.7-32.8000109.1
3S81.8Confident88.5Confident37 Ų3786.4 Ų86.426%0.25944%0.437SS..  trans-63.6144.7177.7-50.60000110.8D7 D72S3-D7 WeakPolarHBondContact CA-OD2 3.48Å; S3-D72 WeakPolarHBondContact CB-OD2 3.22Å; S3-D72 PolarHBondContact OG-OD2 3.5Å
4R90.8Very high88.5Confident138 Ų13886.4 Ų86.452%0.52144%0.437SS..  trans-118.7163.9-176.3-54.8-176.1178.6-177.1-1.7111.1E6 D7 Y8R4-E6 WeakPolarHBondContact CB-OE2 3.14Å; R4-E6 VanDerWaalsContact CD-OE2 3.3Å; R4-E6 WeakPolarHBondContact CD-OE2 3.3Å; R4-E6 PolarHBondContact O-N 3.29Å; R4-D7 PolarHBondContact N-OD2 2.88Å; R4-D7 WeakPolarHBondContact O-CB 3.49Å; R4-D7 PolarHBondContact O-N 2.76Å; R4-D7 VanDerWaalsContact O-N 3.16Å; R4-Y8 WeakPolarHBondContact O-CD2 3.42Å
5V92.4Very high88.1Confident37 Ų3782.8 Ų82.822%0.22443%0.431CS..G310 helixtrans-59.6-38177.5-178.90000109.7D7 Y8 W36 I74 D76 Y83V5-D7 PolarHBondContact O-N 3.31Å; V5-D7 VanDerWaalsContact O-N 3.14Å; V5-Y8 PolarHBondContact O-N 2.73Å; V5-Y8 VanDerWaalsContact O-N 3.11Å; V5-W36 HydrophobicContact CG1-CH2 3.77Å; V5-W36 HydrophobicContact CG1-CZ3 4.33Å; V5-I74 HydrophobicContact CG2-CG2 3.69Å; V5-D76 HydrophobicContact CG2-CB 4.37Å; V5-Y83 HydrophobicContact CG2-CD2 4.27Å; V5-Y83 HydrophobicContact CG2-CE2 3.91Å
6E93.5Very high87.4Confident114 Ų11483.4 Ų83.453%0.53344%0.444SS..G310 helixtrans-64.4-17-179.7-49.979.3-11900114.4R4 Y8 K28R4-E6 WeakPolarHBondContact CB-OE2 3.14Å; R4-E6 VanDerWaalsContact CD-OE2 3.3Å; R4-E6 WeakPolarHBondContact CD-OE2 3.3Å; R4-E6 PolarHBondContact O-N 3.29Å; E6-Y8 PolarHBondContact O-N 2.82Å; E6-K28 WeakPolarHBondContact O-CD 3.27Å; E6-K28 VanDerWaalsContact O-CE 3.27Å; E6-K28 WeakPolarHBondContact O-CE 3.35Å; E6-K28 PolarHBondContact O-NZ 3.39Å
7D95.2Very high86.1Confident71 Ų7181.6 Ų81.638%0.3845%0.45SS..G310 helixtrans-73.7-8.8176.7-62-35000112.5S3 R4 V5 K28S3-D7 WeakPolarHBondContact CA-OD2 3.48Å; R4-D7 PolarHBondContact N-OD2 2.88Å; R4-D7 WeakPolarHBondContact O-CB 3.49Å; R4-D7 PolarHBondContact O-N 2.76Å; R4-D7 VanDerWaalsContact O-N 3.16Å; V5-D7 PolarHBondContact O-N 3.31Å; V5-D7 VanDerWaalsContact O-N 3.14Å; D7-K28 WeakPolarHBondContact O-CB 3.15Å; D7-K28 WeakPolarHBondContact O-CG 3.47Å; D7-K28 PolarHBondContact O-N 3.03Å
8Y96.6Very high84.3Confident13 Ų1382.4 Ų82.45%0.05146%0.462CS..EExtended strand (participates in β ladder)trans-124.6149.2-176.8-58.3-93.7000110.9R4 V5 E6 I25 R26 R27 L34 W36 D72 I74 V85R4-Y8 WeakPolarHBondContact O-CD2 3.42Å; V5-Y8 PolarHBondContact O-N 2.73Å; V5-Y8 VanDerWaalsContact O-N 3.11Å; E6-Y8 PolarHBondContact O-N 2.82Å; Y8-I25 HydrophobicContact CD1-CD1 3.49Å; Y8-I25 VanDerWaalsContact CD1-CD1 3.49Å; Y8-I25 HydrophobicContact CD1-CG1 4.11Å; Y8-I25 HydrophobicContact CE1-CD1 4.09Å; Y8-I25 HydrophobicContact CG-CD1 3.97Å; Y8-R26 CarbonylContact C-O 3.56Å; Y8-R26 WeakPolarHBondContact CA-O 3.43Å; Y8-R27 HydrophobicContact CD1-CB 3.85Å; Y8-R27 HydrophobicContact CD1-CG 4.16Å; Y8-R27 HydrophobicContact CE1-CB 3.72Å; Y8-R27 HydrophobicContact CE1-CG 3.75Å; Y8-L34 HydrophobicContact CE1-CD1 4.05Å; Y8-W36 HydrophobicContact CD2-CZ3 4.33Å; Y8-W36 HydrophobicContact CG-CZ3 4.28Å; Y8-D72 PolarHBondContact OH-OD2 2.87Å; Y8-I74 HydrophobicContact CD2-CD1 3.6Å; Y8-I74 HydrophobicContact CE2-CD1 3.46Å; Y8-I74 VanDerWaalsContact CE2-CD1 3.46Å; Y8-I74 HydrophobicContact CE2-CG1 4.4Å; Y8-V85 HydrophobicContact CE1-CG1 4.21Å
9E97.1Very high83.2Confident86 Ų8681.2 Ų81.240%0.40245%0.45SS..EExtended strand (participates in β ladder)trans-110.4122.4171.9-179.4-165.2172.800108L11 I25 R26E9-L11 HydrophobicContact CG-CD2 4.31Å; E9-I25 CarbonylContact O-C 3.52Å; E9-I25 VanDerWaalsContact O-CA 3.25Å; E9-I25 WeakPolarHBondContact O-CA 3.39Å; E9-R26 HydrophobicContact CB-CB 4.37Å; E9-R26 VanDerWaalsContact CD-NH1 3.29Å; E9-R26 PolarHBondContact N-O 3.42Å; E9-R26 PolarHBondContact O-N 2.89Å; E9-R26 IonicContact OE1-NH1 3.76Å; E9-R26 PolarHBondContact OE1-NH1 2.78Å; E9-R26 IonicContact OE2-CZ 3.29Å; E9-R26 IonicContact OE2-NH1 3.79Å; E9-R26 PolarHBondContact OE2-NH1 2.9Å
10V97Very high82.8Confident68 Ų6878.6 Ų78.641%0.41244%0.443SS..EExtended strand (participates in β ladder)trans-75.6127.3174.3179.30000109Q23 I25 W36V10-Q23 HydrophobicContact CG1-CB 4.31Å; V10-I25 HydrophobicContact CG2-CG2 4.29Å; V10-W36 HydrophobicContact CG2-CH2 4.01Å; V10-W36 HydrophobicContact CG2-CZ2 3.35Å
11L97.1Very high83Confident52 Ų5279.5 Ų79.527%0.27244%0.442SS..EExtended strand (participates in β ladder)trans-93.6-57.5178.2-54.9-176.6000111E9 K24 R26 I33E9-L11 HydrophobicContact CG-CD2 4.31Å; L11-K24 WeakPolarHBondContact CB-O 3.47Å; L11-K24 HydrophobicContact CD1-CD 4.34Å; L11-K24 HydrophobicContact CD1-CG 4.23Å; L11-K24 PolarHBondContact N-O 2.74Å; L11-R26 HydrophobicContact CD1-CB 4.35Å; L11-R26 HydrophobicContact CD2-CB 4.19Å; L11-R26 HydrophobicContact CG-CB 4.4Å; L11-I33 HydrophobicContact CD1-CD1 3.91Å
12Y95.2Very high85Confident120 Ų12071 Ų7147%0.47140%0.403SS..EExtended strand (participates in β ladder)trans-163.9160.2177.459.2-92.8000111.4I14 Q23 K24Y12-I14 HydrophobicContact CD2-CG1 4.44Å; Y12-I14 HydrophobicContact CE2-CG1 4.04Å; Y12-Q23 WeakPolarHBondContact O-CA 3.36Å; Y12-K24 HydrophobicContact CD1-CB 4.46Å; Y12-K24 HydrophobicContact CD1-CD 4.37Å; Y12-K24 HydrophobicContact CE1-CB 4.23Å; Y12-K24 HydrophobicContact CE1-CD 3.46Å; Y12-K24 VanDerWaalsContact CE1-CD 3.46Å; Y12-K24 HydrophobicContact CE1-CG 4.45Å; Y12-K24 HydrophobicContact CE2-CB 4.27Å; Y12-K24 HydrophobicContact CE2-CD 4.27Å; Y12-K24 PolarHBondContact O-N 3.24Å; Y12-K24 WeakPolarHBondContact OH-CD 3.47Å; Y12-K24 PolarHBondContact OH-NZ 2.8Å
13T94.1Very high86Confident66 Ų6666.9 Ų66.941%0.40537%0.374SS..EExtended strand (participates in β ladder)trans-78.9124.1172.9-54.50000110.2K21T13-K21 HydrophobicContact CG2-CB 4.27Å
14I88.5Confident86.7Confident86 Ų8666.8 Ų66.844%0.44137%0.37SS..EExtended strand (participates in β ladder)trans-79.4-41.3176.5-60.2171.7000109.8Y12 C22 K24 V35Y12-I14 HydrophobicContact CD2-CG1 4.44Å; Y12-I14 HydrophobicContact CE2-CG1 4.04Å; I14-C22 PolarHBondContact N-O 3.06Å; I14-K24 HydrophobicContact CD1-CB 3.98Å; I14-K24 HydrophobicContact CG1-CB 4.06Å; I14-V35 HydrophobicContact CD1-CB 4.44Å; I14-V35 HydrophobicContact CD1-CG1 3.48Å; I14-V35 VanDerWaalsContact CD1-CG1 3.48Å
15G82Confident87Confident33 Ų3360.2 Ų60.234%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-168.1154.4178.500000111.6C22G15-C22 PolarHBondContact N-O 2.86Å; G15-C22 PolarHBondContact O-N 3.11Å
16S77.4Confident87.3Confident93 Ų9362.5 Ų62.565%0.6535%0.349SS*.EExtended strand (participates in β ladder)trans-107.6109173.3-61.80000107.6
17G65.1Low87.4Confident53 Ų5360 Ų6055%0.54634%0.335SS..EExtended strand (participates in β ladder)trans-88.7173.4173.100000110.9Y19 G20G17-Y19 PolarHBondContact O-N 3.23Å; G17-G20 PolarHBondContact N-O 2.8Å; G17-G20 PolarHBondContact O-N 3.48Å
18S54.4Low87.5Confident95 Ų9562.8 Ų62.866%0.66434%0.344SS*.THydrogen-bonded Turntrans-64.3-6.4176.648.30000115
19Y61.7Low87.5Confident60 Ų6067 Ų6724%0.23538%0.375CS..THydrogen-bonded Turntrans-1257-176.9-53.1-77000113.8G17 E38 L166 T170 K174G17-Y19 PolarHBondContact O-N 3.23Å; Y19-E38 VanDerWaalsContact O-O 3.14Å; Y19-L166 HydrophobicContact CD1-CD1 4.34Å; Y19-L166 HydrophobicContact CD1-CD2 3.38Å; Y19-L166 HydrophobicContact CD1-CG 4.44Å; Y19-L166 HydrophobicContact CD2-CD1 3.77Å; Y19-L166 HydrophobicContact CD2-CD2 4.35Å; Y19-L166 HydrophobicContact CE1-CD1 4.32Å; Y19-L166 HydrophobicContact CE1-CD2 3.38Å; Y19-L166 HydrophobicContact CE1-CG 4.27Å; Y19-L166 HydrophobicContact CE2-CD1 3.77Å; Y19-L166 HydrophobicContact CE2-CD2 4.36Å; Y19-L166 HydrophobicContact CG-CD1 4.05Å; Y19-L166 HydrophobicContact CG-CD2 3.86Å; Y19-T170 HydrophobicContact CE1-CG2 4.3Å; Y19-T170 PolarHBondContact OH-OG1 3.02Å; Y19-K174 HydrophobicContact CE2-CD 4.37Å; Y19-K174 VanDerWaalsContact CZ-CE 3.5Å; Y19-K174 VanDerWaalsContact CZ-NZ 3.34Å; Y19-K174 WeakPolarHBondContact OH-CD 3.47Å; Y19-K174 WeakPolarHBondContact OH-CE 3.41Å; Y19-K174 PolarHBondContact OH-NZ 3.02Å
20G75.2Confident87.4Confident29 Ų2966.5 Ų66.530%0.29938%0.375SS..EExtended strand (participates in β ladder)trans137180-178.600000112.8G17 E38G17-G20 PolarHBondContact N-O 2.8Å; G17-G20 PolarHBondContact O-N 3.48Å; G20-E38 WeakPolarHBondContact CA-O 3.21Å
21K87Confident87.4Confident97 Ų9766.2 Ų66.242%0.42238%0.38SS..EExtended strand (participates in β ladder)trans-90.4140.3-175.9-60.4172.3-175.8170.60110.1T13 Q23 E38T13-K21 HydrophobicContact CG2-CB 4.27Å; K21-Q23 HydrophobicContact CB-CG 4.1Å; K21-E38 PolarHBondContact O-N 2.9Å
22C89.8Confident87.3Confident35 Ų3567.3 Ų67.324%0.23638%0.382CS..EExtended strand (participates in β ladder)trans-98.3120.2162.4-172.90000107.3I14 G15 W36I14-C22 PolarHBondContact N-O 3.06Å; G15-C22 PolarHBondContact N-O 2.86Å; G15-C22 PolarHBondContact O-N 3.11Å; C22-W36 WeakPolarHBondContact CA-O 3.2Å
23Q94.7Very high87.4Confident21 Ų2164 Ų6410%0.09837%0.372CS..EExtended strand (participates in β ladder)trans-123.4143.5-178.1-50.8-177.6-19.500110.6V10 Y12 K21 I25 V35 W36 E38V10-Q23 HydrophobicContact CG1-CB 4.31Å; Y12-Q23 WeakPolarHBondContact O-CA 3.36Å; K21-Q23 HydrophobicContact CB-CG 4.1Å; Q23-I25 HydrophobicContact CB-CG2 4.48Å; Q23-V35 CarbonylContact O-C 3.56Å; Q23-V35 VanDerWaalsContact O-CA 3.24Å; Q23-V35 WeakPolarHBondContact O-CA 3.25Å; Q23-W36 PolarHBondContact N-O 3.14Å; Q23-W36 PolarHBondContact O-N 3.16Å; Q23-E38 PolarHBondContact NE2-OE1 3.32Å; Q23-E38 PolarHBondContact OE1-OE1 3.47Å
24K95.9Very high87.5Confident36 Ų3660.9 Ų60.916%0.15735%0.353CS..EExtended strand (participates in β ladder)trans-80129.3169.1-166.8176.2-176.8168.60108.7L11 Y12 I14 I33 H88L11-K24 WeakPolarHBondContact CB-O 3.47Å; L11-K24 HydrophobicContact CD1-CD 4.34Å; L11-K24 HydrophobicContact CD1-CG 4.23Å; L11-K24 PolarHBondContact N-O 2.74Å; Y12-K24 HydrophobicContact CD1-CB 4.46Å; Y12-K24 HydrophobicContact CD1-CD 4.37Å; Y12-K24 HydrophobicContact CE1-CB 4.23Å; Y12-K24 HydrophobicContact CE1-CD 3.46Å; Y12-K24 VanDerWaalsContact CE1-CD 3.46Å; Y12-K24 HydrophobicContact CE1-CG 4.45Å; Y12-K24 HydrophobicContact CE2-CB 4.27Å; Y12-K24 HydrophobicContact CE2-CD 4.27Å; Y12-K24 PolarHBondContact O-N 3.24Å; Y12-K24 WeakPolarHBondContact OH-CD 3.47Å; Y12-K24 PolarHBondContact OH-NZ 2.8Å; I14-K24 HydrophobicContact CD1-CB 3.98Å; I14-K24 HydrophobicContact CG1-CB 4.06Å; K24-I33 HydrophobicContact CD-CG2 4.23Å; K24-I33 HydrophobicContact CG-CG2 4.05Å; K24-H88 WeakPolarHBondContact CE-NE2 3.37Å; K24-H88 PolarHBondContact NZ-NE2 3.43Å
25I97.5Very high87.8Confident0 Ų057.3 Ų57.30%034%0.335CS..EExtended strand (participates in β ladder)trans-129155.9-177.369.3-179.5000110.9Y8 E9 V10 Q23 L34 W36 V85Y8-I25 HydrophobicContact CD1-CD1 3.49Å; Y8-I25 VanDerWaalsContact CD1-CD1 3.49Å; Y8-I25 HydrophobicContact CD1-CG1 4.11Å; Y8-I25 HydrophobicContact CE1-CD1 4.09Å; Y8-I25 HydrophobicContact CG-CD1 3.97Å; E9-I25 CarbonylContact O-C 3.52Å; E9-I25 VanDerWaalsContact O-CA 3.25Å; E9-I25 WeakPolarHBondContact O-CA 3.39Å; V10-I25 HydrophobicContact CG2-CG2 4.29Å; Q23-I25 HydrophobicContact CB-CG2 4.48Å; I25-L34 HydrophobicContact CD1-CB 4.32Å; I25-L34 HydrophobicContact CG1-CB 3.85Å; I25-L34 PolarHBondContact N-O 2.9Å; I25-L34 PolarHBondContact O-N 2.88Å; I25-L34 VanDerWaalsContact O-O 3.12Å; I25-W36 HydrophobicContact CD1-CB 3.97Å; I25-W36 HydrophobicContact CD1-CD2 3.75Å; I25-W36 HydrophobicContact CD1-CE3 3.58Å; I25-W36 HydrophobicContact CD1-CG 3.93Å; I25-W36 HydrophobicContact CD1-CZ3 4.32Å; I25-W36 HydrophobicContact CG2-CD2 3.66Å; I25-W36 HydrophobicContact CG2-CE3 4.24Å; I25-W36 HydrophobicContact CG2-CG 3.89Å; I25-W36 HydrophobicContact CG2-CZ2 4.06Å; I25-V85 HydrophobicContact CD1-CG1 4.08Å; I25-V85 HydrophobicContact CD1-CG2 4.45Å
26R97.8Very high88.3Confident85 Ų8556 Ų5632%0.32132%0.32SS..EExtended strand (participates in β ladder)trans-115.1123.1171.2-177.4-176.4-62.1125.1-1.1108.9Y8 E9 L11 K32 I33Y8-R26 CarbonylContact C-O 3.56Å; Y8-R26 WeakPolarHBondContact CA-O 3.43Å; E9-R26 HydrophobicContact CB-CB 4.37Å; E9-R26 VanDerWaalsContact CD-NH1 3.29Å; E9-R26 PolarHBondContact N-O 3.42Å; E9-R26 PolarHBondContact O-N 2.89Å; E9-R26 IonicContact OE1-NH1 3.76Å; E9-R26 PolarHBondContact OE1-NH1 2.78Å; E9-R26 IonicContact OE2-CZ 3.29Å; E9-R26 IonicContact OE2-NH1 3.79Å; E9-R26 PolarHBondContact OE2-NH1 2.9Å; L11-R26 HydrophobicContact CD1-CB 4.35Å; L11-R26 HydrophobicContact CD2-CB 4.19Å; L11-R26 HydrophobicContact CG-CB 4.4Å; R26-K32 WeakPolarHBondContact CA-O 3.44Å; R26-I33 HydrophobicContact CB-CD1 4.11Å; R26-I33 HydrophobicContact CG-CD1 4.16Å
27R97Very high88.9Confident60 Ų6053.6 Ų53.623%0.22630%0.298CS..EExtended strand (participates in β ladder)trans-73.4126.9172.6-174.9167.964.3176.23.5109.7Y8 S29 D30 A31 K32 L34Y8-R27 HydrophobicContact CD1-CB 3.85Å; Y8-R27 HydrophobicContact CD1-CG 4.16Å; Y8-R27 HydrophobicContact CE1-CB 3.72Å; Y8-R27 HydrophobicContact CE1-CG 3.75Å; R27-S29 VanDerWaalsContact C-N 3.34Å; R27-S29 WeakPolarHBondContact CG-OG 3.45Å; R27-S29 PolarHBondContact O-N 3.42Å; R27-D30 IonicContact CZ-OD1 3.97Å; R27-D30 IonicContact CZ-OD2 2.92Å; R27-D30 IonicContact NE-OD1 3.88Å; R27-D30 PolarHBondContact NE-OD1 2.81Å; R27-D30 IonicContact NE-OD2 3.69Å; R27-D30 VanDerWaalsContact NH2-CG 3.29Å; R27-D30 IonicContact NH2-OD1 3.36Å; R27-D30 PolarHBondContact NH2-OD1 2.95Å; R27-D30 IonicContact NH2-OD2 3.27Å; R27-D30 PolarHBondContact NH2-OD2 3.44Å; R27-A31 WeakPolarHBondContact O-CA 3.49Å; R27-A31 PolarHBondContact O-N 3.21Å; R27-K32 PolarHBondContact N-O 2.82Å; R27-L34 HydrophobicContact CB-CD1 4.26Å
28K96.7Very high90.1Very high130 Ų13052.5 Ų52.557%0.56528%0.279SS*.THydrogen-bonded Turntrans-69.6-29.2-173.6-67.5-179.4-177.3169.50113.7E6 D7 D30E6-K28 WeakPolarHBondContact O-CD 3.27Å; E6-K28 VanDerWaalsContact O-CE 3.27Å; E6-K28 WeakPolarHBondContact O-CE 3.35Å; E6-K28 PolarHBondContact O-NZ 3.39Å; D7-K28 WeakPolarHBondContact O-CB 3.15Å; D7-K28 WeakPolarHBondContact O-CG 3.47Å; D7-K28 PolarHBondContact O-N 3.03Å; K28-D30 VanDerWaalsContact C-N 3.35Å; K28-D30 PolarHBondContact O-N 2.64Å
29S95.7Very high91.6Very high101 Ų10148.1 Ų48.171%0.70625%0.248SC*.THydrogen-bonded Turntrans-68.9-28.7-175.657.20000114.5R27R27-S29 VanDerWaalsContact C-N 3.34Å; R27-S29 WeakPolarHBondContact CG-OG 3.45Å; R27-S29 PolarHBondContact O-N 3.42Å
30D95.6Very high92.8Very high76 Ų7649 Ų4941%0.40626%0.257SS..THydrogen-bonded Turntrans-142.313.1-176.870.3-21.9000114.1R27 K28 K32R27-D30 IonicContact CZ-OD1 3.97Å; R27-D30 IonicContact CZ-OD2 2.92Å; R27-D30 IonicContact NE-OD1 3.88Å; R27-D30 PolarHBondContact NE-OD1 2.81Å; R27-D30 IonicContact NE-OD2 3.69Å; R27-D30 VanDerWaalsContact NH2-CG 3.29Å; R27-D30 IonicContact NH2-OD1 3.36Å; R27-D30 PolarHBondContact NH2-OD1 2.95Å; R27-D30 IonicContact NH2-OD2 3.27Å; R27-D30 PolarHBondContact NH2-OD2 3.44Å; K28-D30 VanDerWaalsContact C-N 3.35Å; K28-D30 PolarHBondContact O-N 2.64Å; D30-K32 PolarHBondContact O-N 2.92Å; D30-K32 WeakPolarHBondContact OD1-CB 3.47Å; D30-K32 PolarHBondContact OD1-N 3.29Å; D30-K32 WeakPolarHBondContact OD2-CB 3.15Å
31A96.1Very high93.3Very high62 Ų6249.6 Ų49.651%0.51225%0.25SS..  trans55.417.5-175.800000114.9R27 I33R27-A31 WeakPolarHBondContact O-CA 3.49Å; R27-A31 PolarHBondContact O-N 3.21Å; A31-I33 PolarHBondContact O-N 2.93Å
32K96Very high93.2Very high75 Ų7546.8 Ų46.833%0.32625%0.249SC..  trans-70.1130.8-175.7-173.8166.9-176.7163.80111.6R26 R27 D30 L34 Y71R26-K32 WeakPolarHBondContact CA-O 3.44Å; R27-K32 PolarHBondContact N-O 2.82Å; D30-K32 PolarHBondContact O-N 2.92Å; D30-K32 WeakPolarHBondContact OD1-CB 3.47Å; D30-K32 PolarHBondContact OD1-N 3.29Å; D30-K32 WeakPolarHBondContact OD2-CB 3.15Å; K32-L34 HydrophobicContact CD-CD2 4.39Å; K32-L34 HydrophobicContact CG-CD2 4.24Å; K32-L34 HydrophobicContact CG-CG 4.25Å; K32-Y71 HydrophobicContact CD-CE1 4.48Å; K32-Y71 VanDerWaalsContact CE-OH 3.27Å; K32-Y71 WeakPolarHBondContact CE-OH 3.46Å; K32-Y71 PolarHBondContact NZ-OH 3.3Å
33I96.6Very high92.8Very high51 Ų5151 Ų5126%0.26227%0.273SS..EExtended strand (participates in β ladder)trans-80126.5175.9-57-56.9000109.9L11 K24 R26 A31 H88L11-I33 HydrophobicContact CD1-CD1 3.91Å; K24-I33 HydrophobicContact CD-CG2 4.23Å; K24-I33 HydrophobicContact CG-CG2 4.05Å; R26-I33 HydrophobicContact CB-CD1 4.11Å; R26-I33 HydrophobicContact CG-CD1 4.16Å; A31-I33 PolarHBondContact O-N 2.93Å; I33-H88 HydrophobicContact CG2-CB 4.03Å
34L96.1Very high92.3Very high1 Ų151.4 Ų51.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-138.5176.7-177.4-63.3170.3000109.1Y8 I25 R27 K32 Y71 V85Y8-L34 HydrophobicContact CE1-CD1 4.05Å; I25-L34 HydrophobicContact CD1-CB 4.32Å; I25-L34 HydrophobicContact CG1-CB 3.85Å; I25-L34 PolarHBondContact N-O 2.9Å; I25-L34 PolarHBondContact O-N 2.88Å; I25-L34 VanDerWaalsContact O-O 3.12Å; R27-L34 HydrophobicContact CB-CD1 4.26Å; K32-L34 HydrophobicContact CD-CD2 4.39Å; K32-L34 HydrophobicContact CG-CD2 4.24Å; K32-L34 HydrophobicContact CG-CG 4.25Å; L34-Y71 HydrophobicContact CD2-CD1 4.28Å; L34-Y71 HydrophobicContact CD2-CD2 3.73Å; L34-Y71 HydrophobicContact CD2-CE1 4.28Å; L34-Y71 HydrophobicContact CD2-CE2 3.72Å; L34-Y71 HydrophobicContact CD2-CG 4.01Å; L34-V85 HydrophobicContact CB-CG1 4.09Å; L34-V85 HydrophobicContact CD1-CG1 3.74Å; L34-V85 HydrophobicContact CG-CG1 4.44Å
35V94.6Very high91.7Very high11 Ų1152 Ų527%0.06729%0.287CS..EExtended strand (participates in β ladder)trans-122.3150.1165.4-60.50000109I14 Q23 V85 M86 H88I14-V35 HydrophobicContact CD1-CB 4.44Å; I14-V35 HydrophobicContact CD1-CG1 3.48Å; I14-V35 VanDerWaalsContact CD1-CG1 3.48Å; Q23-V35 CarbonylContact O-C 3.56Å; Q23-V35 VanDerWaalsContact O-CA 3.24Å; Q23-V35 WeakPolarHBondContact O-CA 3.25Å; V35-V85 CarbonylContact O-C 3.49Å; V35-V85 WeakPolarHBondContact O-CA 3.44Å; V35-M86 HydrophobicContact CG2-CB 3.88Å; V35-M86 HydrophobicContact CG2-CE 4.04Å; V35-M86 PolarHBondContact N-O 2.8Å; V35-M86 PolarHBondContact O-N 2.99Å; V35-H88 HydrophobicContact CG1-CB 3.99Å
36W94.1Very high91Very high4 Ų458.4 Ų58.42%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-119.1151.9159.561.925.1000111.4V5 Y8 V10 C22 Q23 I25 I74 Y83 I84 V85V5-W36 HydrophobicContact CG1-CH2 3.77Å; V5-W36 HydrophobicContact CG1-CZ3 4.33Å; Y8-W36 HydrophobicContact CD2-CZ3 4.33Å; Y8-W36 HydrophobicContact CG-CZ3 4.28Å; V10-W36 HydrophobicContact CG2-CH2 4.01Å; V10-W36 HydrophobicContact CG2-CZ2 3.35Å; C22-W36 WeakPolarHBondContact CA-O 3.2Å; Q23-W36 PolarHBondContact N-O 3.14Å; Q23-W36 PolarHBondContact O-N 3.16Å; I25-W36 HydrophobicContact CD1-CB 3.97Å; I25-W36 HydrophobicContact CD1-CD2 3.75Å; I25-W36 HydrophobicContact CD1-CE3 3.58Å; I25-W36 HydrophobicContact CD1-CG 3.93Å; I25-W36 HydrophobicContact CD1-CZ3 4.32Å; I25-W36 HydrophobicContact CG2-CD2 3.66Å; I25-W36 HydrophobicContact CG2-CE3 4.24Å; I25-W36 HydrophobicContact CG2-CG 3.89Å; I25-W36 HydrophobicContact CG2-CZ2 4.06Å; W36-I74 HydrophobicContact CE3-CD1 4Å; W36-I74 HydrophobicContact CZ3-CD1 3.91Å; W36-Y83 AromaticContact CD2-CD1 3.44Å; W36-Y83 HydrophobicContact CD2-CD1 3.44Å; W36-Y83 VanDerWaalsContact CD2-CD1 3.44Å; W36-Y83 HydrophobicContact CD2-CE1 4.13Å; W36-Y83 HydrophobicContact CD2-CG 4.15Å; W36-Y83 AromaticContact CE2-CD1 3.54Å; W36-Y83 AromaticContact CE2-CE1 3.73Å; W36-Y83 AromaticContact CE3-CD1 3.75Å; W36-Y83 HydrophobicContact CE3-CD1 3.75Å; W36-Y83 HydrophobicContact CE3-CE1 4.49Å; W36-Y83 HydrophobicContact CE3-CG 4.04Å; W36-Y83 AromaticContact CG-CD1 3.83Å; W36-Y83 HydrophobicContact CG-CD1 3.83Å; W36-Y83 HydrophobicContact CH2-CD1 4.28Å; W36-Y83 HydrophobicContact CH2-CE1 4.22Å; W36-Y83 AromaticContact CZ2-CD1 3.95Å; W36-Y83 HydrophobicContact CZ2-CD1 3.95Å; W36-Y83 AromaticContact CZ2-CE1 3.77Å; W36-Y83 HydrophobicContact CZ2-CE1 3.77Å; W36-Y83 HydrophobicContact CZ3-CD1 4.17Å; W36-Y83 HydrophobicContact CZ3-CG 4.42Å; W36-Y83 AromaticContact NE1-CD1 3.91Å; W36-I84 CarbonylContact C-O 3.53Å; W36-I84 WeakPolarHBondContact CA-O 3.24Å; W36-V85 HydrophobicContact CB-CG2 4.31Å
37K89.9Confident90.2Very high43 Ų4358.1 Ų58.119%0.18733%0.328CS..EExtended strand (participates in β ladder)trans-108.6121.7169.6-160.6167.3-172.5172.30107.5L39 Y83 I84 D159 L162K37-L39 HydrophobicContact CB-CD1 4.46Å; K37-L39 HydrophobicContact CG-CD1 4.44Å; K37-Y83 WeakPolarHBondContact O-CA 3.42Å; K37-I84 PolarHBondContact N-O 2.92Å; K37-I84 PolarHBondContact O-N 3.1Å; K37-D159 VanDerWaalsContact NZ-CG 3.27Å; K37-D159 IonicContact NZ-OD1 2.74Å; K37-D159 PolarHBondContact NZ-OD1 3.35Å; K37-D159 IonicContact NZ-OD2 2.77Å; K37-D159 PolarHBondContact NZ-OD2 3.03Å; K37-D159 VanDerWaalsContact NZ-OD2 3.09Å; K37-L162 HydrophobicContact CD-CD1 3.7Å
38E89.6Confident89.3Confident30 Ų3057.1 Ų57.114%0.1433%0.326CS..EExtended strand (participates in β ladder)trans-79.5135.8173.9-74.2164.4-142.200109.8Y19 G20 K21 Q23 T81 L82 Y83Y19-E38 VanDerWaalsContact O-O 3.14Å; G20-E38 WeakPolarHBondContact CA-O 3.21Å; K21-E38 PolarHBondContact O-N 2.9Å; Q23-E38 PolarHBondContact NE2-OE1 3.32Å; Q23-E38 PolarHBondContact OE1-OE1 3.47Å; E38-T81 HydrophobicContact CB-CG2 4.33Å; E38-T81 HydrophobicContact CG-CG2 4.35Å; E38-L82 CarbonylContact C-O 3.49Å; E38-Y83 HydrophobicContact CG-CD1 3.57Å; E38-Y83 HydrophobicContact CG-CE1 3.33Å
39L86Confident88.7Confident4 Ų453.8 Ų53.82%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-135.2120.7172-68.4100000109.4K37 Y41 L52 T81 L82 I84 L162K37-L39 HydrophobicContact CB-CD1 4.46Å; K37-L39 HydrophobicContact CG-CD1 4.44Å; L39-Y41 PolarHBondContact O-N 2.99Å; L39-L52 HydrophobicContact CD2-CD1 4.31Å; L39-T81 CarbonylContact O-C 3.54Å; L39-T81 WeakPolarHBondContact O-CA 3.08Å; L39-L82 HydrophobicContact CB-CB 4.34Å; L39-L82 PolarHBondContact N-O 2.81Å; L39-L82 PolarHBondContact O-N 3.4Å; L39-I84 HydrophobicContact CD1-CD1 3.66Å; L39-I84 HydrophobicContact CD1-CG1 3.95Å; L39-L162 HydrophobicContact CD1-CD1 4.25Å; L39-L162 HydrophobicContact CD1-CD2 4.48Å; L39-L162 HydrophobicContact CD2-CD1 3.82Å; L39-L162 HydrophobicContact CD2-CD2 3.37Å; L39-L162 HydrophobicContact CD2-CG 4.22Å; L39-L162 HydrophobicContact CG-CD1 4.45Å
40D86.3Confident88Confident78 Ų7854.3 Ų54.342%0.41730%0.303SS..EExtended strand (participates in β ladder)trans-76.7122.4168.4-177.312.3000109.5G42 T80D40-G42 PolarHBondContact OD1-N 3.04Å; D40-T80 VanDerWaalsContact OD1-O 3.08Å; D40-T80 PolarHBondContact OD1-OG1 3.4Å
41Y85.8Confident87.1Confident41 Ų4153.3 Ų53.316%0.16130%0.296CS..  trans-106.71.6175.668.3-100.5000112.6L39 T43 M44 K49 I75 R77 T80 L82L39-Y41 PolarHBondContact O-N 2.99Å; Y41-T43 VanDerWaalsContact C-N 3.3Å; Y41-T43 PolarHBondContact O-N 2.84Å; Y41-M44 PolarHBondContact O-N 2.82Å; Y41-K49 WeakPolarHBondContact O-CE 3.41Å; Y41-I75 HydrophobicContact CE1-CG2 4Å; Y41-R77 WeakPolarHBondContact OH-CA 3.44Å; Y41-T80 VanDerWaalsContact CD1-C 3.48Å; Y41-T80 WeakPolarHBondContact CD1-O 3.28Å; Y41-T80 VanDerWaalsContact CE1-O 3.29Å; Y41-T80 WeakPolarHBondContact CE1-O 3.5Å; Y41-T80 HydrophobicContact CE2-CG2 4.46Å; Y41-T80 PolarHBondContact N-O 3.3Å; Y41-L82 HydrophobicContact CD1-CB 4.06Å
42G85.8Confident86.4Confident38 Ų3850.8 Ų50.839%0.39228%0.275SS..THydrogen-bonded Turntrans-61.2-37.7-178.100000112.7D40D40-G42 PolarHBondContact OD1-N 3.04Å
43T81.3Confident85.8Confident123 Ų12350.2 Ų50.276%0.75528%0.277SS*.THydrogen-bonded Turntrans-88.3-4.9179.163.60000114.2Y41Y41-T43 VanDerWaalsContact C-N 3.3Å; Y41-T43 PolarHBondContact O-N 2.84Å
44M82.9Confident84.9Confident31 Ų3150.8 Ų50.815%0.15329%0.286CS..  trans-78.7138.2-176.1-70-177.6179.600111.8Y41 E48 K49 L52Y41-M44 PolarHBondContact O-N 2.82Å; M44-E48 WeakPolarHBondContact CA-OE2 2.96Å; M44-E48 HydrophobicContact CB-CB 4.08Å; M44-E48 HydrophobicContact CG-CB 4.42Å; M44-K49 HydrophobicContact CB-CG 3.94Å; M44-K49 WeakPolarHBondContact O-CE 3.39Å; M44-K49 PolarHBondContact O-NZ 2.93Å; M44-L52 HydrophobicContact SD-CD2 4.05Å
45A84.2Confident84Confident48 Ų4851.2 Ų51.240%0.39729%0.288SS..  trans-65.5158.9167.900000111.1S47 E48 K49A45-S47 PolarHBondContact O-N 3.3Å; A45-E48 HydrophobicContact CB-CG 4.3Å; A45-E48 PolarHBondContact N-OE2 3.09Å; A45-E48 WeakPolarHBondContact O-CB 3.27Å; A45-E48 PolarHBondContact O-N 2.98Å; A45-K49 PolarHBondContact O-N 2.77Å
46E83.4Confident83.4Confident135 Ų13550.9 Ų50.963%0.63129%0.286SS*.Hα-helixtrans-61.9-34.3-178.7-166.457.7-15000112.5K49 Q50E46-K49 PolarHBondContact O-N 2.63Å; E46-Q50 WeakPolarHBondContact O-CB 3.46Å; E46-Q50 PolarHBondContact O-N 3.34Å
47S79.9Confident82.9Confident79 Ų7953 Ų5355%0.55230%0.297SS*.Hα-helixtrans-61.2-42.5172.550.50000112.2A45 Q50 M51A45-S47 PolarHBondContact O-N 3.3Å; S47-Q50 PolarHBondContact O-N 3.46Å; S47-M51 WeakPolarHBondContact O-CG 3.02Å; S47-M51 PolarHBondContact O-N 3.34Å
48E79.4Confident82.4Confident39 Ų3953.2 Ų53.218%0.18230%0.3CS..Hα-helixtrans-67.3-41.1177.6-63.8178.8117.300111.7M44 A45 Q50 M51 L52 I165M44-E48 WeakPolarHBondContact CA-OE2 2.96Å; M44-E48 HydrophobicContact CB-CB 4.08Å; M44-E48 HydrophobicContact CG-CB 4.42Å; A45-E48 HydrophobicContact CB-CG 4.3Å; A45-E48 PolarHBondContact N-OE2 3.09Å; A45-E48 WeakPolarHBondContact O-CB 3.27Å; A45-E48 PolarHBondContact O-N 2.98Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 2.5Å; E48-M51 HydrophobicContact CB-CE 4.41Å; E48-M51 HydrophobicContact CG-CE 4.12Å; E48-M51 PolarHBondContact O-N 3.03Å; E48-L52 WeakPolarHBondContact O-CB 3.11Å; E48-L52 PolarHBondContact O-N 2.84Å; E48-I165 HydrophobicContact CB-CG2 4.43Å
49K82.9Confident82Confident60 Ų6052.9 Ų52.926%0.26130%0.299SS..Hα-helixtrans-60.5-42.6173-68174.8-173.4163.80111.6Y41 M44 A45 E46 M51 L52 V53Y41-K49 WeakPolarHBondContact O-CE 3.41Å; M44-K49 HydrophobicContact CB-CG 3.94Å; M44-K49 WeakPolarHBondContact O-CE 3.39Å; M44-K49 PolarHBondContact O-NZ 2.93Å; A45-K49 PolarHBondContact O-N 2.77Å; E46-K49 PolarHBondContact O-N 2.63Å; K49-M51 VanDerWaalsContact C-N 3.32Å; K49-M51 PolarHBondContact O-N 3.39Å; K49-L52 WeakPolarHBondContact O-CB 3.29Å; K49-L52 PolarHBondContact O-N 2.81Å; K49-V53 WeakPolarHBondContact O-CG2 3.12Å; K49-V53 PolarHBondContact O-N 3.21Å
50Q81.7Confident81.9Confident112 Ų11258.3 Ų58.352%0.52332%0.319SS..Hα-helixtrans-65.6-36.1177.3-173.957.757.100112.4E46 S47 E48 S54E46-Q50 WeakPolarHBondContact O-CB 3.46Å; E46-Q50 PolarHBondContact O-N 3.34Å; S47-Q50 PolarHBondContact O-N 3.46Å; E48-Q50 VanDerWaalsContact C-N 3.33Å; E48-Q50 PolarHBondContact O-N 2.5Å; Q50-S54 PolarHBondContact O-N 3.42Å; Q50-S54 VanDerWaalsContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.34Å
51M77.3Confident81.8Confident54 Ų5461.1 Ų61.127%0.26633%0.33SS..Hα-helixtrans-66-43171.1-69.2-171.5-72.600110.9S47 E48 K49 V53 S54 E55 I165S47-M51 WeakPolarHBondContact O-CG 3.02Å; S47-M51 PolarHBondContact O-N 3.34Å; E48-M51 HydrophobicContact CB-CE 4.41Å; E48-M51 HydrophobicContact CG-CE 4.12Å; E48-M51 PolarHBondContact O-N 3.03Å; K49-M51 VanDerWaalsContact C-N 3.32Å; K49-M51 PolarHBondContact O-N 3.39Å; M51-V53 PolarHBondContact O-N 3.08Å; M51-S54 WeakPolarHBondContact O-CB 3.48Å; M51-S54 PolarHBondContact O-N 2.93Å; M51-S54 VanDerWaalsContact O-N 3.08Å; M51-E55 WeakPolarHBondContact O-CG 3.44Å; M51-E55 PolarHBondContact O-N 3.5Å; M51-I165 HydrophobicContact CB-CD1 4.29Å; M51-I165 HydrophobicContact CB-CG1 3.47Å; M51-I165 VanDerWaalsContact CB-CG1 3.47Å
52L80.8Confident81.6Confident10 Ų1060.2 Ų60.25%0.05233%0.328CS..Hα-helixtrans-57.3-44.1174.8-175.261.3000113L39 M44 E48 K49 S54 E55 V56 L82 L162 I165L39-L52 HydrophobicContact CD2-CD1 4.31Å; M44-L52 HydrophobicContact SD-CD2 4.05Å; E48-L52 WeakPolarHBondContact O-CB 3.11Å; E48-L52 PolarHBondContact O-N 2.84Å; K49-L52 WeakPolarHBondContact O-CB 3.29Å; K49-L52 PolarHBondContact O-N 2.81Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.78Å; L52-E55 PolarHBondContact O-N 2.83Å; L52-V56 HydrophobicContact CD1-CG2 4.28Å; L52-V56 WeakPolarHBondContact O-CB 3.03Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.41Å; L52-V56 PolarHBondContact O-N 3.47Å; L52-L82 HydrophobicContact CD1-CD2 4.11Å; L52-L82 HydrophobicContact CD2-CD2 3.61Å; L52-L82 HydrophobicContact CG-CD2 3.88Å; L52-L162 HydrophobicContact CD1-CD2 3.82Å; L52-I165 HydrophobicContact CB-CD1 3.92Å; L52-I165 HydrophobicContact CD1-CD1 3.98Å; L52-I165 VanDerWaalsContact N-CD1 3.34Å
53V82.5Confident81.7Confident63 Ų6365 Ų6538%0.38234%0.338SS..Hα-helixtrans-60.6-44.3174.3171.70000111.1K49 M51 V56 N57K49-V53 WeakPolarHBondContact O-CG2 3.12Å; K49-V53 PolarHBondContact O-N 3.21Å; M51-V53 PolarHBondContact O-N 3.08Å; V53-V56 PolarHBondContact O-N 2.89Å; V53-N57 WeakPolarHBondContact O-CB 3.46Å; V53-N57 PolarHBondContact O-N 2.92Å; V53-N57 PolarHBondContact O-ND2 3.34Å; V53-N57 VanDerWaalsContact O-ND2 3.12Å
54S78.2Confident82Confident63 Ų6360.2 Ų60.244%0.44131%0.307SS..Hα-helixtrans-61.5-45.8178.9-55.70000111.8Q50 M51 L52 N57 L58Q50-S54 PolarHBondContact O-N 3.42Å; Q50-S54 VanDerWaalsContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.34Å; M51-S54 WeakPolarHBondContact O-CB 3.48Å; M51-S54 PolarHBondContact O-N 2.93Å; M51-S54 VanDerWaalsContact O-N 3.08Å; L52-S54 VanDerWaalsContact C-N 3.32Å; L52-S54 PolarHBondContact O-N 2.78Å; S54-N57 PolarHBondContact O-N 3.4Å; S54-L58 PolarHBondContact O-N 3.3Å
55E77.8Confident82.4Confident10 Ų1061.3 Ų61.35%0.04732%0.316CS..Hα-helixtrans-68.3-40.2179.3-66.6-65.3158.400112.8M51 L52 N57 L58 L59 G161 R164 I165M51-E55 WeakPolarHBondContact O-CG 3.44Å; M51-E55 PolarHBondContact O-N 3.5Å; L52-E55 PolarHBondContact O-N 2.83Å; E55-N57 VanDerWaalsContact C-N 3.28Å; E55-N57 PolarHBondContact O-N 3.43Å; E55-L58 WeakPolarHBondContact O-CB 3.38Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 2.71Å; E55-G161 WeakPolarHBondContact CB-O 3.43Å; E55-R164 WeakPolarHBondContact OE1-CB 3.31Å; E55-R164 WeakPolarHBondContact OE1-CD 3.39Å; E55-R164 IonicContact OE1-CZ 2.82Å; E55-R164 IonicContact OE1-NE 2.63Å; E55-R164 PolarHBondContact OE1-NE 2.88Å; E55-R164 IonicContact OE1-NH1 3.69Å; E55-I165 HydrophobicContact CB-CD1 3.89Å; E55-I165 HydrophobicContact CG-CD1 3.41Å; E55-I165 VanDerWaalsContact CG-CD1 3.41Å; E55-I165 HydrophobicContact CG-CG1 4.03Å
56V82.4Confident82.9Confident4 Ų459.4 Ų59.42%0.02430%0.299CS..Hα-helixtrans-63.2-37.3175.1171.30000111.1L52 V53 L59 R60 Y70 R73 L82 I84L52-V56 HydrophobicContact CD1-CG2 4.28Å; L52-V56 WeakPolarHBondContact O-CB 3.03Å; L52-V56 VanDerWaalsContact O-CG2 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.41Å; L52-V56 PolarHBondContact O-N 3.47Å; V53-V56 PolarHBondContact O-N 2.89Å; V56-L59 PolarHBondContact O-N 3.49Å; V56-R60 PolarHBondContact O-N 3.25Å; V56-R60 VanDerWaalsContact O-N 3.12Å; V56-Y70 HydrophobicContact CG1-CE2 4.03Å; V56-R73 HydrophobicContact CG1-CB 4.49Å; V56-L82 HydrophobicContact CG2-CD2 4.32Å; V56-I84 HydrophobicContact CG2-CD1 3.89Å; V56-I84 HydrophobicContact CG2-CG1 4.42Å
57N82.5Confident83.3Confident47 Ų4753.2 Ų53.225%0.25127%0.271SS..Hα-helixtrans-65.7-40.7174.8-70.8-29.4000111.6V53 S54 E55 R60 E61 R73V53-N57 WeakPolarHBondContact O-CB 3.46Å; V53-N57 PolarHBondContact O-N 2.92Å; V53-N57 PolarHBondContact O-ND2 3.34Å; V53-N57 VanDerWaalsContact O-ND2 3.12Å; S54-N57 PolarHBondContact O-N 3.4Å; E55-N57 VanDerWaalsContact C-N 3.28Å; E55-N57 PolarHBondContact O-N 3.43Å; N57-R60 WeakPolarHBondContact O-CB 3.28Å; N57-R60 PolarHBondContact O-N 2.97Å; N57-E61 PolarHBondContact O-N 3.24Å; N57-R73 PolarHBondContact OD1-NH1 3.25Å
58L79.4Confident83.9Confident48 Ų4850.2 Ų50.225%0.25125%0.249SC..Hα-helixtrans-60.7-49.7174.5-167.790.7000111.6S54 E55 R60 E61 L62 V137S54-L58 PolarHBondContact O-N 3.3Å; E55-L58 WeakPolarHBondContact O-CB 3.38Å; E55-L58 PolarHBondContact O-N 3.02Å; L58-R60 PolarHBondContact O-N 2.84Å; L58-E61 WeakPolarHBondContact O-CB 3.26Å; L58-E61 PolarHBondContact O-N 2.83Å; L58-L62 PolarHBondContact O-N 3.42Å; L58-V137 HydrophobicContact CD1-CG2 3.65Å; L58-V137 HydrophobicContact CD2-CB 4.4Å; L58-V137 HydrophobicContact CD2-CG1 3.68Å; L58-V137 HydrophobicContact CD2-CG2 3.84Å; L58-V137 HydrophobicContact CG-CG2 4.05Å
59L81.5Confident84.4Confident24 Ų2451.5 Ų51.513%0.12625%0.252CS..Hα-helixtrans-55.6-38.1177.7-76.4173000112.3E55 V56 E61 L62 Y70 F160E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 2.71Å; V56-L59 PolarHBondContact O-N 3.49Å; L59-E61 VanDerWaalsContact C-N 3.28Å; L59-E61 PolarHBondContact O-N 2.96Å; L59-L62 PolarHBondContact O-N 3.32Å; L59-Y70 HydrophobicContact CB-CD2 4.35Å; L59-F160 HydrophobicContact CD2-CB 3.5Å; L59-F160 VanDerWaalsContact CD2-CB 3.5Å
60R84.5Confident84.9Confident118 Ų11850 Ų5045%0.44525%0.245SC..Hα-helixtrans-66.5-29.6177.6-176.2-17964.9179.1-1.9112.9V56 N57 L58 Y70V56-R60 PolarHBondContact O-N 3.25Å; V56-R60 VanDerWaalsContact O-N 3.12Å; N57-R60 WeakPolarHBondContact O-CB 3.28Å; N57-R60 PolarHBondContact O-N 2.97Å; L58-R60 PolarHBondContact O-N 2.84Å; R60-Y70 HydrophobicContact CB-CD1 3.8Å; R60-Y70 HydrophobicContact CB-CE1 3.86Å; R60-Y70 HydrophobicContact CB-CG 4.35Å; R60-Y70 HydrophobicContact CG-CD1 3.86Å; R60-Y70 HydrophobicContact CG-CE1 3.76Å
61E83Confident85.4Confident137 Ų13747.9 Ų47.964%0.6423%0.233SC*.Hα-helixtrans-81.9-27.1-179.9-70.1177.3-16900112.6N57 L58 L59 K63N57-E61 PolarHBondContact O-N 3.24Å; L58-E61 WeakPolarHBondContact O-CB 3.26Å; L58-E61 PolarHBondContact O-N 2.83Å; L59-E61 VanDerWaalsContact C-N 3.28Å; L59-E61 PolarHBondContact O-N 2.96Å; E61-K63 PolarHBondContact O-N 2.81Å
62L83.1Confident86.1Confident21 Ų2147.1 Ų47.111%0.1123%0.23CC..  trans-68.5101.1177-65.9176.4000111.5L58 L59 I67 F160L58-L62 PolarHBondContact O-N 3.42Å; L59-L62 PolarHBondContact O-N 3.32Å; L62-I67 HydrophobicContact CB-CD1 4.47Å; L62-I67 HydrophobicContact CB-CG2 4.39Å; L62-F160 HydrophobicContact CD1-CB 4.08Å; L62-F160 HydrophobicContact CD1-CD1 3.97Å; L62-F160 HydrophobicContact CD1-CD2 4.36Å; L62-F160 HydrophobicContact CD1-CE1 4.48Å; L62-F160 HydrophobicContact CD1-CG 3.89Å
63K86.8Confident86.6Confident138 Ų13851.1 Ų51.160%0.624%0.244SC*.  trans-122.576.4-177.9-65.7-179.3-176.6172.20111.5E61E61-K63 PolarHBondContact O-N 2.81Å
64H88.7Confident87.1Confident24 Ų2448.3 Ų48.311%0.11123%0.227CC..  trans-122.7146.5179.4-170.8-95.4000111.2N66 I67 D126H64-N66 VanDerWaalsContact C-N 3.26Å; H64-N66 PolarHBondContact CE1-OD1 3.47Å; H64-N66 PolarHBondContact ND1-N 3.16Å; H64-N66 PolarHBondContact O-N 2.9Å; H64-I67 HydrophobicContact CB-CB 4.02Å; H64-I67 HydrophobicContact CB-CD1 3.67Å; H64-I67 HydrophobicContact CB-CG1 3.76Å; H64-I67 PolarHBondContact O-N 3.07Å; H64-D126 IonicContact CD2-OD2 3.87Å; H64-D126 PolarHBondContact CD2-OD2 3.35Å; H64-D126 IonicContact CG-OD2 3.51Å
65P91.3Very high87.7Confident53 Ų5349.7 Ų49.734%0.34423%0.228SC..THydrogen-bonded Turntrans-59.4-34.4177.221.7-34000113.7K156 A282P65-K156 PolarHBondContact O-NZ 2.98Å; P65-A282 HydrophobicContact CG-CB 4.19Å
66N93.3Very high88.4Confident9 Ų950.5 Ų50.55%0.04823%0.233CC..THydrogen-bonded Turntrans-97.420.6179.9-50.6100.9000113.4H64 Q119 A123 V155 K156 L157H64-N66 VanDerWaalsContact C-N 3.26Å; H64-N66 PolarHBondContact CE1-OD1 3.47Å; H64-N66 PolarHBondContact ND1-N 3.16Å; H64-N66 PolarHBondContact O-N 2.9Å; N66-Q119 HydrophobicContact CB-CB 4.34Å; N66-Q119 WeakPolarHBondContact CB-O 3.01Å; N66-Q119 WeakPolarHBondContact ND2-CB 3.39Å; N66-Q119 WeakPolarHBondContact ND2-CG 3.19Å; N66-Q119 PolarHBondContact ND2-OE1 3.27Å; N66-Q119 VanDerWaalsContact ND2-OE1 3.14Å; N66-A123 HydrophobicContact CB-CB 4.12Å; N66-V155 WeakPolarHBondContact CA-O 3.47Å; N66-V155 WeakPolarHBondContact CB-O 3.47Å; N66-V155 PolarHBondContact ND2-O 3.23Å; N66-K156 WeakPolarHBondContact O-CA 3.36Å; N66-L157 WeakPolarHBondContact O-CB 3.43Å; N66-L157 PolarHBondContact O-N 3.14Å
67I92.1Very high88.7Confident5 Ų560.2 Ų60.23%0.02627%0.269CS..BIsolated β-bridgetrans-119.4136.9168.6-64.9177.9000107.4L62 H64 R69 A123 C127 L157 F160L62-I67 HydrophobicContact CB-CD1 4.47Å; L62-I67 HydrophobicContact CB-CG2 4.39Å; H64-I67 HydrophobicContact CB-CB 4.02Å; H64-I67 HydrophobicContact CB-CD1 3.67Å; H64-I67 HydrophobicContact CB-CG1 3.76Å; H64-I67 PolarHBondContact O-N 3.07Å; I67-R69 PolarHBondContact O-N 2.92Å; I67-A123 HydrophobicContact CD1-CB 4.46Å; I67-A123 HydrophobicContact CG1-CB 3.91Å; I67-C127 VanDerWaalsContact CD1-SG 3.54Å; I67-L157 CarbonylContact C-O 3.56Å; I67-L157 WeakPolarHBondContact CA-O 3.4Å; I67-F160 HydrophobicContact CB-CE2 4.07Å; I67-F160 HydrophobicContact CD1-CE2 3.83Å; I67-F160 HydrophobicContact CD1-CZ 3.67Å; I67-F160 HydrophobicContact CG1-CE2 3.63Å; I67-F160 HydrophobicContact CG1-CZ 3.84Å; I67-F160 HydrophobicContact CG2-CD2 3.81Å; I67-F160 HydrophobicContact CG2-CE2 3.48Å; I67-F160 VanDerWaalsContact CG2-CE2 3.48Å; I67-F160 HydrophobicContact CG2-CZ 4.4Å
68V92.2Very high89.1Confident15 Ų1564.1 Ų64.19%0.09130%0.295CS..PPolyproline II helixtrans-58120.3175.5175.30000108.6Y70 M86 E87 F148 K156 L157V68-Y70 PolarHBondContact O-N 2.96Å; V68-M86 HydrophobicContact CG1-CB 4.08Å; V68-M86 HydrophobicContact CG1-CE 4.49Å; V68-E87 HydrophobicContact CG1-CB 4.11Å; V68-F148 HydrophobicContact CG2-CD2 3.69Å; V68-F148 HydrophobicContact CG2-CE2 4.34Å; V68-F148 HydrophobicContact CG2-CG 4.47Å; V68-K156 HydrophobicContact CG2-CB 3.82Å; V68-L157 PolarHBondContact N-O 3.25Å
69R91.3Very high89.5Confident66 Ų6666.4 Ų66.425%0.24931%0.307CS..PPolyproline II helixtrans-71.2124.9-173.8175.264.366.3132.50.3111.1I67 Y71 M86 E87I67-R69 PolarHBondContact O-N 2.92Å; R69-Y71 HydrophobicContact CB-CE2 4.01Å; R69-Y71 HydrophobicContact CG-CD2 4.04Å; R69-Y71 HydrophobicContact CG-CE2 3.67Å; R69-Y71 WeakPolarHBondContact O-CD2 3.34Å; R69-M86 CarbonylContact O-C 3.43Å; R69-M86 WeakPolarHBondContact O-CA 3.33Å; R69-E87 HydrophobicContact CB-CB 4.03Å; R69-E87 PolarHBondContact N-OE2 2.98Å; R69-E87 VanDerWaalsContact N-OE2 3.09Å; R69-E87 PolarHBondContact O-N 2.92Å
70Y91.6Very high90Very high29 Ų2967.7 Ų67.711%0.11432%0.316CS..EExtended strand (participates in β ladder)trans-68.5134.9161.5174.9-84.9000110.6V56 L59 R60 V68 D72 R73 I84V56-Y70 HydrophobicContact CG1-CE2 4.03Å; L59-Y70 HydrophobicContact CB-CD2 4.35Å; R60-Y70 HydrophobicContact CB-CD1 3.8Å; R60-Y70 HydrophobicContact CB-CE1 3.86Å; R60-Y70 HydrophobicContact CB-CG 4.35Å; R60-Y70 HydrophobicContact CG-CD1 3.86Å; R60-Y70 HydrophobicContact CG-CE1 3.76Å; V68-Y70 PolarHBondContact O-N 2.96Å; Y70-D72 WeakPolarHBondContact CE2-O 3.38Å; Y70-D72 VanDerWaalsContact CZ-C 3.41Å; Y70-D72 PolarHBondContact OH-O 2.84Å; Y70-R73 WeakPolarHBondContact OH-CB 3.47Å; Y70-R73 PolarHBondContact OH-N 2.87Å; Y70-R73 VanDerWaalsContact OH-N 3.16Å; Y70-I84 HydrophobicContact CD2-CG2 3.98Å; Y70-I84 HydrophobicContact CE2-CG2 3.99Å
71Y92.2Very high90.3Very high68 Ų6863 Ų6327%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-110.8-51.2175.1-82.8-94.3000112.3K32 L34 R69 V85 E87K32-Y71 HydrophobicContact CD-CE1 4.48Å; K32-Y71 VanDerWaalsContact CE-OH 3.27Å; K32-Y71 WeakPolarHBondContact CE-OH 3.46Å; K32-Y71 PolarHBondContact NZ-OH 3.3Å; L34-Y71 HydrophobicContact CD2-CD1 4.28Å; L34-Y71 HydrophobicContact CD2-CD2 3.73Å; L34-Y71 HydrophobicContact CD2-CE1 4.28Å; L34-Y71 HydrophobicContact CD2-CE2 3.72Å; L34-Y71 HydrophobicContact CD2-CG 4.01Å; R69-Y71 HydrophobicContact CB-CE2 4.01Å; R69-Y71 HydrophobicContact CG-CD2 4.04Å; R69-Y71 HydrophobicContact CG-CE2 3.67Å; R69-Y71 WeakPolarHBondContact O-CD2 3.34Å; Y71-V85 PolarHBondContact N-O 2.95Å; Y71-E87 HydrophobicContact CE2-CB 4.02Å
72D92.1Very high90.6Very high38 Ų3857 Ų5720%0.20327%0.273CS..EExtended strand (participates in β ladder)trans-160.8169.7-168.5-149.3-8.1000113.4S3 Y8 Y70 V85S3-D72 WeakPolarHBondContact CB-OD2 3.22Å; S3-D72 PolarHBondContact OG-OD2 3.5Å; Y8-D72 PolarHBondContact OH-OD2 2.87Å; Y70-D72 WeakPolarHBondContact CE2-O 3.38Å; Y70-D72 VanDerWaalsContact CZ-C 3.41Å; Y70-D72 PolarHBondContact OH-O 2.84Å; D72-V85 HydrophobicContact CB-CB 3.92Å; D72-V85 HydrophobicContact CB-CG2 4.07Å; D72-V85 PolarHBondContact N-O 2.96Å; D72-V85 PolarHBondContact O-N 2.87Å
73R91.7Very high91Very high94 Ų9457.1 Ų57.136%0.35527%0.272SS..EExtended strand (participates in β ladder)trans-132.4140.1168.170.8-175.9-174-152.81.1110.7V56 N57 Y70 L82 Y83V56-R73 HydrophobicContact CG1-CB 4.49Å; N57-R73 PolarHBondContact OD1-NH1 3.25Å; Y70-R73 WeakPolarHBondContact OH-CB 3.47Å; Y70-R73 PolarHBondContact OH-N 2.87Å; Y70-R73 VanDerWaalsContact OH-N 3.16Å; R73-L82 HydrophobicContact CB-CD1 4.25Å; R73-Y83 CarbonylContact C-O 3.59Å; R73-Y83 VanDerWaalsContact CA-O 3.26Å; R73-Y83 WeakPolarHBondContact CA-O 3.35Å
74I93.4Very high91.3Very high4 Ų450.7 Ų50.72%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-125.4131.6177.9-50.6164.7000107.6V5 Y8 W36 Y83 V85V5-I74 HydrophobicContact CG2-CG2 3.69Å; Y8-I74 HydrophobicContact CD2-CD1 3.6Å; Y8-I74 HydrophobicContact CE2-CD1 3.46Å; Y8-I74 VanDerWaalsContact CE2-CD1 3.46Å; Y8-I74 HydrophobicContact CE2-CG1 4.4Å; W36-I74 HydrophobicContact CE3-CD1 4Å; W36-I74 HydrophobicContact CZ3-CD1 3.91Å; I74-Y83 HydrophobicContact CB-CD2 4.25Å; I74-Y83 HydrophobicContact CG2-CD2 4.44Å; I74-Y83 PolarHBondContact N-O 3.05Å; I74-Y83 PolarHBondContact O-N 3.11Å; I74-V85 HydrophobicContact CD1-CG2 4.01Å; I74-V85 HydrophobicContact CG1-CG2 4.36Å
75I91.7Very high91.5Very high92 Ų9249.6 Ų49.647%0.47224%0.239SC..EExtended strand (participates in β ladder)trans-112.5110.2179.3-57.8174.6000107.7Y41 R77 L82Y41-I75 HydrophobicContact CE1-CG2 4Å; I75-R77 HydrophobicContact CG2-CG 3.97Å; I75-L82 HydrophobicContact CG1-CD1 3.81Å
76D91.1Very high91.6Very high27 Ų2748.4 Ų48.414%0.14423%0.229CC..EExtended strand (participates in β ladder)trans-92.699.3168.9-178.4-6.6000108.7V5 T78 N79 T80 T81 Y83V5-D76 HydrophobicContact CG2-CB 4.37Å; D76-T78 VanDerWaalsContact C-N 3.28Å; D76-T78 PolarHBondContact O-N 2.82Å; D76-T78 WeakPolarHBondContact OD1-CB 3.36Å; D76-T78 PolarHBondContact OD1-N 3.24Å; D76-N79 PolarHBondContact OD1-N 2.85Å; D76-N79 PolarHBondContact OD2-ND2 2.91Å; D76-T80 WeakPolarHBondContact O-CA 3.46Å; D76-T80 PolarHBondContact O-N 3.08Å; D76-T80 VanDerWaalsContact O-N 3.1Å; D76-T81 PolarHBondContact N-O 3.22Å; D76-T81 PolarHBondContact O-N 2.79Å; D76-Y83 HydrophobicContact CB-CE2 3.92Å
77R89.4Confident91.6Very high208 Ų20849.9 Ų49.979%0.78524%0.236SC*.THydrogen-bonded Turntrans-70.7-26.2-178.4-65-176.6-178.6176.4-0.5113Y41 I75Y41-R77 WeakPolarHBondContact OH-CA 3.44Å; I75-R77 HydrophobicContact CG2-CG 3.97Å
78T89.9Confident91.7Very high129 Ų12951.2 Ų51.279%0.79124%0.242SC*.THydrogen-bonded Turntrans-69.5-43-178.3-500000110.1D76D76-T78 VanDerWaalsContact C-N 3.28Å; D76-T78 PolarHBondContact O-N 2.82Å; D76-T78 WeakPolarHBondContact OD1-CB 3.36Å; D76-T78 PolarHBondContact OD1-N 3.24Å
79N89.4Confident91.7Very high95 Ų9551.3 Ų51.351%0.50824%0.243SC..THydrogen-bonded Turntrans-99.913-179.9-61.7-45.6000113.4D76 T81D76-N79 PolarHBondContact OD1-N 2.85Å; D76-N79 PolarHBondContact OD2-ND2 2.91Å; N79-T81 PolarHBondContact O-N 3.22Å; N79-T81 PolarHBondContact O-OG1 3.43Å
80T91.2Very high91.7Very high52 Ų5254.3 Ų54.332%0.31926%0.26SS..THydrogen-bonded Turntrans45.536.7-175.459.40000114.3D40 Y41 D76D40-T80 VanDerWaalsContact OD1-O 3.08Å; D40-T80 PolarHBondContact OD1-OG1 3.4Å; Y41-T80 VanDerWaalsContact CD1-C 3.48Å; Y41-T80 WeakPolarHBondContact CD1-O 3.28Å; Y41-T80 VanDerWaalsContact CE1-O 3.29Å; Y41-T80 WeakPolarHBondContact CE1-O 3.5Å; Y41-T80 HydrophobicContact CE2-CG2 4.46Å; Y41-T80 PolarHBondContact N-O 3.3Å; D76-T80 WeakPolarHBondContact O-CA 3.46Å; D76-T80 PolarHBondContact O-N 3.08Å; D76-T80 VanDerWaalsContact O-N 3.1Å
81T90.3Very high91.7Very high18 Ų1854.4 Ų54.411%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-112.8130-171.5-60.10000111.3E38 L39 D76 N79 Y83E38-T81 HydrophobicContact CB-CG2 4.33Å; E38-T81 HydrophobicContact CG-CG2 4.35Å; L39-T81 CarbonylContact O-C 3.54Å; L39-T81 WeakPolarHBondContact O-CA 3.08Å; D76-T81 PolarHBondContact N-O 3.22Å; D76-T81 PolarHBondContact O-N 2.79Å; N79-T81 PolarHBondContact O-N 3.22Å; N79-T81 PolarHBondContact O-OG1 3.43Å; T81-Y83 HydrophobicContact CG2-CD2 4.05Å; T81-Y83 HydrophobicContact CG2-CE1 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.56Å; T81-Y83 HydrophobicContact CG2-CG 4.49Å
82L90Very high91.7Very high11 Ų1152.6 Ų52.66%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-99.5125.4168.1175.870.7000108.8E38 L39 Y41 L52 V56 R73 I75 I84E38-L82 CarbonylContact C-O 3.49Å; L39-L82 HydrophobicContact CB-CB 4.34Å; L39-L82 PolarHBondContact N-O 2.81Å; L39-L82 PolarHBondContact O-N 3.4Å; Y41-L82 HydrophobicContact CD1-CB 4.06Å; L52-L82 HydrophobicContact CD1-CD2 4.11Å; L52-L82 HydrophobicContact CD2-CD2 3.61Å; L52-L82 HydrophobicContact CG-CD2 3.88Å; V56-L82 HydrophobicContact CG2-CD2 4.32Å; R73-L82 HydrophobicContact CB-CD1 4.25Å; I75-L82 HydrophobicContact CG1-CD1 3.81Å; L82-I84 HydrophobicContact CD2-CD1 4.33Å; L82-I84 HydrophobicContact CD2-CG1 4.17Å; L82-I84 HydrophobicContact CG-CG1 4.24Å
83Y92.1Very high91.7Very high24 Ų2452.3 Ų52.39%0.09427%0.27CS..EExtended strand (participates in β ladder)trans-103124.5169.9-56.2-97.3000109.3V5 W36 K37 E38 R73 I74 D76 T81V5-Y83 HydrophobicContact CG2-CD2 4.27Å; V5-Y83 HydrophobicContact CG2-CE2 3.91Å; W36-Y83 AromaticContact CD2-CD1 3.44Å; W36-Y83 HydrophobicContact CD2-CD1 3.44Å; W36-Y83 VanDerWaalsContact CD2-CD1 3.44Å; W36-Y83 HydrophobicContact CD2-CE1 4.13Å; W36-Y83 HydrophobicContact CD2-CG 4.15Å; W36-Y83 AromaticContact CE2-CD1 3.54Å; W36-Y83 AromaticContact CE2-CE1 3.73Å; W36-Y83 AromaticContact CE3-CD1 3.75Å; W36-Y83 HydrophobicContact CE3-CD1 3.75Å; W36-Y83 HydrophobicContact CE3-CE1 4.49Å; W36-Y83 HydrophobicContact CE3-CG 4.04Å; W36-Y83 AromaticContact CG-CD1 3.83Å; W36-Y83 HydrophobicContact CG-CD1 3.83Å; W36-Y83 HydrophobicContact CH2-CD1 4.28Å; W36-Y83 HydrophobicContact CH2-CE1 4.22Å; W36-Y83 AromaticContact CZ2-CD1 3.95Å; W36-Y83 HydrophobicContact CZ2-CD1 3.95Å; W36-Y83 AromaticContact CZ2-CE1 3.77Å; W36-Y83 HydrophobicContact CZ2-CE1 3.77Å; W36-Y83 HydrophobicContact CZ3-CD1 4.17Å; W36-Y83 HydrophobicContact CZ3-CG 4.42Å; W36-Y83 AromaticContact NE1-CD1 3.91Å; K37-Y83 WeakPolarHBondContact O-CA 3.42Å; E38-Y83 HydrophobicContact CG-CD1 3.57Å; E38-Y83 HydrophobicContact CG-CE1 3.33Å; R73-Y83 CarbonylContact C-O 3.59Å; R73-Y83 VanDerWaalsContact CA-O 3.26Å; R73-Y83 WeakPolarHBondContact CA-O 3.35Å; I74-Y83 HydrophobicContact CB-CD2 4.25Å; I74-Y83 HydrophobicContact CG2-CD2 4.44Å; I74-Y83 PolarHBondContact N-O 3.05Å; I74-Y83 PolarHBondContact O-N 3.11Å; D76-Y83 HydrophobicContact CB-CE2 3.92Å; T81-Y83 HydrophobicContact CG2-CD2 4.05Å; T81-Y83 HydrophobicContact CG2-CE1 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.56Å; T81-Y83 HydrophobicContact CG2-CG 4.49Å
84I91.6Very high91.9Very high4 Ų447.9 Ų47.92%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-102.4110.9172.5-58.6176.6000108W36 K37 L39 V56 Y70 L82 M86 L162W36-I84 CarbonylContact C-O 3.53Å; W36-I84 WeakPolarHBondContact CA-O 3.24Å; K37-I84 PolarHBondContact N-O 2.92Å; K37-I84 PolarHBondContact O-N 3.1Å; L39-I84 HydrophobicContact CD1-CD1 3.66Å; L39-I84 HydrophobicContact CD1-CG1 3.95Å; V56-I84 HydrophobicContact CG2-CD1 3.89Å; V56-I84 HydrophobicContact CG2-CG1 4.42Å; Y70-I84 HydrophobicContact CD2-CG2 3.98Å; Y70-I84 HydrophobicContact CE2-CG2 3.99Å; L82-I84 HydrophobicContact CD2-CD1 4.33Å; L82-I84 HydrophobicContact CD2-CG1 4.17Å; L82-I84 HydrophobicContact CG-CG1 4.24Å; I84-M86 HydrophobicContact CG2-CG 4Å; I84-M86 HydrophobicContact CG2-SD 4.36Å; I84-L162 HydrophobicContact CD1-CD2 4.2Å
85V93.8Very high92Very high0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-87.6126.4-177.7-172.90000110Y8 I25 L34 V35 W36 Y71 D72 I74Y8-V85 HydrophobicContact CE1-CG1 4.21Å; I25-V85 HydrophobicContact CD1-CG1 4.08Å; I25-V85 HydrophobicContact CD1-CG2 4.45Å; L34-V85 HydrophobicContact CB-CG1 4.09Å; L34-V85 HydrophobicContact CD1-CG1 3.74Å; L34-V85 HydrophobicContact CG-CG1 4.44Å; V35-V85 CarbonylContact O-C 3.49Å; V35-V85 WeakPolarHBondContact O-CA 3.44Å; W36-V85 HydrophobicContact CB-CG2 4.31Å; Y71-V85 PolarHBondContact N-O 2.95Å; D72-V85 HydrophobicContact CB-CB 3.92Å; D72-V85 HydrophobicContact CB-CG2 4.07Å; D72-V85 PolarHBondContact N-O 2.96Å; D72-V85 PolarHBondContact O-N 2.87Å; I74-V85 HydrophobicContact CD1-CG2 4.01Å; I74-V85 HydrophobicContact CG1-CG2 4.36Å
86M93.3Very high92.2Very high28 Ų2848.7 Ų48.714%0.13827%0.268CS..EExtended strand (participates in β ladder)trans-135.5167.3-173.6-47.7-171.1-51.900112.4V35 V68 R69 I84 H88V35-M86 HydrophobicContact CG2-CB 3.88Å; V35-M86 HydrophobicContact CG2-CE 4.04Å; V35-M86 PolarHBondContact N-O 2.8Å; V35-M86 PolarHBondContact O-N 2.99Å; V68-M86 HydrophobicContact CG1-CB 4.08Å; V68-M86 HydrophobicContact CG1-CE 4.49Å; R69-M86 CarbonylContact O-C 3.43Å; R69-M86 WeakPolarHBondContact O-CA 3.33Å; I84-M86 HydrophobicContact CG2-CG 4Å; I84-M86 HydrophobicContact CG2-SD 4.36Å; M86-H88 PolarHBondContact O-N 3.34Å
87E93.3Very high92.4Very high40 Ų4047.9 Ų47.919%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-58.7130.5171.7-175.5173.3-15800112.3V68 R69 Y71 K156V68-E87 HydrophobicContact CG1-CB 4.11Å; R69-E87 HydrophobicContact CB-CB 4.03Å; R69-E87 PolarHBondContact N-OE2 2.98Å; R69-E87 VanDerWaalsContact N-OE2 3.09Å; R69-E87 PolarHBondContact O-N 2.92Å; Y71-E87 HydrophobicContact CE2-CB 4.02Å; E87-K156 VanDerWaalsContact CD-CE 3.45Å; E87-K156 WeakPolarHBondContact OE1-CE 3.13Å; E87-K156 IonicContact OE1-NZ 3.27Å; E87-K156 PolarHBondContact OE1-NZ 3.09Å; E87-K156 WeakPolarHBondContact OE2-CE 3.16Å; E87-K156 IonicContact OE2-NZ 3.36Å; E87-K156 PolarHBondContact OE2-NZ 2.95Å
88H93.8Very high92.8Very high33 Ų3338.2 Ų38.215%0.15323%0.227CC..  trans-80.3124.2168.1177.1-95.8000110.1K24 I33 V35 M86 E90K24-H88 WeakPolarHBondContact CE-NE2 3.37Å; K24-H88 PolarHBondContact NZ-NE2 3.43Å; I33-H88 HydrophobicContact CG2-CB 4.03Å; V35-H88 HydrophobicContact CG1-CB 3.99Å; M86-H88 PolarHBondContact O-N 3.34Å; H88-E90 WeakPolarHBondContact ND1-CG 3.48Å
89C93.6Very high93.1Very high17 Ų1736.2 Ų36.212%0.11522%0.215CC..  trans-102.7104.2177.2-62.60000109.9G91 G92 F148 L149 K156C89-G91 VanDerWaalsContact C-N 3.29Å; C89-G91 PolarHBondContact O-N 2.91Å; C89-G92 PolarHBondContact O-N 3.44Å; C89-F148 HydrophobicContact CB-CB 3.49Å; C89-F148 VanDerWaalsContact CB-CB 3.49Å; C89-F148 HydrophobicContact CB-CD1 4.47Å; C89-F148 HydrophobicContact CB-CG 4.21Å; C89-L149 CarbonylContact C-O 3.57Å; C89-L149 WeakPolarHBondContact CB-O 3.39Å; C89-K156 VanDerWaalsContact SG-CD 3.58Å
90E90.5Very high93.5Very high130 Ų13037.6 Ų37.661%0.60721%0.213SC*.THydrogen-bonded Turntrans-68.1-23.4-170.7-68.1176.5-159.900114.6H88 G92 V151H88-E90 WeakPolarHBondContact ND1-CG 3.48Å; E90-G92 PolarHBondContact O-N 3.18Å; E90-V151 HydrophobicContact CB-CG1 3.76Å; E90-V151 HydrophobicContact CG-CG1 4.12Å; E90-V151 WeakPolarHBondContact OE2-CG1 3.36Å
91G90.5Very high93.8Very high31 Ų3135.1 Ų35.132%0.3220%0.198SC..THydrogen-bonded Turntrans-78.41.7-178.900000114.5C89 L149C89-G91 VanDerWaalsContact C-N 3.29Å; C89-G91 PolarHBondContact O-N 2.91Å; G91-L149 WeakPolarHBondContact CA-O 3.5Å; G91-L149 PolarHBondContact N-O 2.92Å
92G92.4Very high94.2Very high30 Ų3038.5 Ų38.531%0.30921%0.214SC..  trans72.2-153.3-175.600000112.2C89 E90 F148 L149C89-G92 PolarHBondContact O-N 3.44Å; E90-G92 PolarHBondContact O-N 3.18Å; G92-F148 CarbonylContact O-C 3.58Å; G92-F148 VanDerWaalsContact O-CA 3.28Å; G92-F148 WeakPolarHBondContact O-CA 3.22Å; G92-L149 PolarHBondContact O-N 3.28Å
93D93.6Very high94.5Very high32 Ų3246.9 Ų46.917%0.17125%0.25CS..BIsolated β-bridgetrans-117.1162.6-177.769.391.5000112.7S95 S96 L97 I147 F148D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.15Å; D93-S95 VanDerWaalsContact OD1-CA 3.26Å; D93-S95 WeakPolarHBondContact OD1-CA 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.47Å; D93-S95 PolarHBondContact OD1-N 3.34Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 PolarHBondContact OD1-N 3.49Å; D93-S96 WeakPolarHBondContact OD2-CB 2.98Å; D93-S96 PolarHBondContact OD2-OG 3.14Å; D93-L97 PolarHBondContact O-N 3.12Å; D93-L97 VanDerWaalsContact O-N 3.15Å; D93-I147 CarbonylContact C-O 3.56Å; D93-I147 VanDerWaalsContact CA-O 3.25Å; D93-I147 WeakPolarHBondContact CA-O 3.37Å; D93-F148 HydrophobicContact CB-CD1 4.13Å; D93-F148 HydrophobicContact CB-CE1 4.27Å
94L95.9Very high94.8Very high0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-67.7-25.2-179.3-69.4-174.9000113.5L97 I98 F112 V116 P144 I147 L149 L205 L209L94-L97 HydrophobicContact CD2-CD2 3.8Å; L94-L97 WeakPolarHBondContact O-CB 3.41Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-I98 WeakPolarHBondContact O-CD1 3.41Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.26Å; L94-I98 PolarHBondContact O-N 2.93Å; L94-F112 HydrophobicContact CD2-CE1 4.48Å; L94-F112 HydrophobicContact CD2-CZ 4.23Å; L94-V116 HydrophobicContact CD1-CG1 4.12Å; L94-P144 HydrophobicContact CB-CB 3.88Å; L94-P144 PolarHBondContact N-O 3.34Å; L94-I147 HydrophobicContact CB-CB 4.35Å; L94-I147 HydrophobicContact CD1-CB 3.61Å; L94-I147 HydrophobicContact CD1-CG1 4.14Å; L94-I147 HydrophobicContact CD1-CG2 3.45Å; L94-I147 VanDerWaalsContact CD1-CG2 3.45Å; L94-I147 HydrophobicContact CG-CB 3.83Å; L94-I147 HydrophobicContact CG-CG2 3.81Å; L94-I147 PolarHBondContact N-O 3.16Å; L94-L149 HydrophobicContact CD2-CD1 4.03Å; L94-L149 HydrophobicContact CD2-CD2 4.02Å; L94-L149 HydrophobicContact CD2-CG 4.11Å; L94-L205 HydrophobicContact CD1-CD2 4.14Å; L94-L209 HydrophobicContact CD1-CD1 4.2Å; L94-L209 HydrophobicContact CD1-CD2 4.29Å; L94-L209 HydrophobicContact CD2-CD2 4.43Å
95S94.9Very high95.1Very high46 Ų4661.3 Ų61.332%0.32231%0.309SS..Hα-helixtrans-65.4-44.7175.5-165.90000110.6D93 L97 I98 T99 P144D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 3.15Å; D93-S95 VanDerWaalsContact OD1-CA 3.26Å; D93-S95 WeakPolarHBondContact OD1-CA 3.28Å; D93-S95 WeakPolarHBondContact OD1-CB 3.47Å; D93-S95 PolarHBondContact OD1-N 3.34Å; S95-L97 VanDerWaalsContact C-N 3.31Å; S95-L97 PolarHBondContact O-N 3.2Å; S95-I98 PolarHBondContact O-N 3.09Å; S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 2.79Å; S95-T99 PolarHBondContact O-OG1 2.92Å; S95-P144 PolarHBondContact N-O 2.95Å
96S94.9Very high95.2Very high67 Ų6766.5 Ų66.547%0.46933%0.328SS..Hα-helixtrans-60.6-39.9173.1-64.30000111.7D93 T99 R100D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 PolarHBondContact OD1-N 3.49Å; D93-S96 WeakPolarHBondContact OD2-CB 2.98Å; D93-S96 PolarHBondContact OD2-OG 3.14Å; S96-T99 PolarHBondContact O-N 2.85Å; S96-R100 PolarHBondContact O-N 3.49Å
97L96.2Very high95.5Very high10 Ų1069.9 Ų69.95%0.05234%0.34CS..Hα-helixtrans-62.7-48175.1177.963.6000112.5D93 L94 S95 T99 R100 C101 L108 F112 L149D93-L97 PolarHBondContact O-N 3.12Å; D93-L97 VanDerWaalsContact O-N 3.15Å; L94-L97 HydrophobicContact CD2-CD2 3.8Å; L94-L97 WeakPolarHBondContact O-CB 3.41Å; L94-L97 PolarHBondContact O-N 3.21Å; S95-L97 VanDerWaalsContact C-N 3.31Å; S95-L97 PolarHBondContact O-N 3.2Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-R100 PolarHBondContact O-N 3.45Å; L97-C101 PolarHBondContact O-N 2.8Å; L97-C101 PolarHBondContact O-SG 3.41Å; L97-L108 HydrophobicContact CD1-CD2 4.23Å; L97-L108 HydrophobicContact CD2-CD1 4.15Å; L97-L108 HydrophobicContact CD2-CD2 3.97Å; L97-L108 HydrophobicContact CG-CD1 4.48Å; L97-L108 HydrophobicContact CG-CD2 4.16Å; L97-F112 HydrophobicContact CD2-CE1 3.6Å; L97-F112 HydrophobicContact CD2-CZ 3.66Å; L97-L149 HydrophobicContact CD2-CD1 4.19Å
98I97.4Very high95.7Very high5 Ų568.4 Ų68.43%0.02633%0.334CS..Hα-helixtrans-59.5-47.4177.8-69.9157.8000109.8L94 S95 R100 C101 I102 P144 E208 L209 L212L94-I98 WeakPolarHBondContact O-CD1 3.41Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.26Å; L94-I98 PolarHBondContact O-N 2.93Å; S95-I98 PolarHBondContact O-N 3.09Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.79Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; I98-C101 PolarHBondContact O-N 3.17Å; I98-C101 VanDerWaalsContact O-N 3.09Å; I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.28Å; I98-I102 PolarHBondContact O-N 3.35Å; I98-P144 HydrophobicContact CD1-CB 3.84Å; I98-P144 HydrophobicContact CD1-CG 3.79Å; I98-E208 HydrophobicContact CD1-CG 3.91Å; I98-L209 HydrophobicContact CD1-CD2 3.91Å; I98-L209 HydrophobicContact CG1-CD2 3.84Å; I98-L212 HydrophobicContact CG2-CD2 4.27Å
99T97.2Very high95.9Very high87 Ų8772.9 Ų72.953%0.53435%0.354SS..Hα-helixtrans-57.2-44.1178.3-58.30000111.8S95 S96 L97 I102 K103S95-T99 WeakPolarHBondContact O-CB 3.41Å; S95-T99 PolarHBondContact O-N 2.79Å; S95-T99 PolarHBondContact O-OG1 2.92Å; S96-T99 PolarHBondContact O-N 2.85Å; L97-T99 VanDerWaalsContact C-N 3.34Å; T99-I102 PolarHBondContact O-N 2.89Å; T99-K103 PolarHBondContact O-N 2.86Å; T99-K103 VanDerWaalsContact O-N 3.08Å
100R97.1Very high96.1Very high124 Ų12474.5 Ų74.547%0.46836%0.36SS..Hα-helixtrans-62.2-45.4175.2178.2174.361.2176.60.2111.9S96 L97 I98 I102 K103 E104S96-R100 PolarHBondContact O-N 3.49Å; L97-R100 PolarHBondContact O-N 3.45Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 2.79Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.09Å; R100-K103 PolarHBondContact O-N 3.47Å; R100-E104 WeakPolarHBondContact CD-OE1 3.43Å; R100-E104 HydrophobicContact CG-CG 4.37Å; R100-E104 WeakPolarHBondContact CG-OE1 3.46Å; R100-E104 WeakPolarHBondContact O-CB 3.44Å; R100-E104 WeakPolarHBondContact O-CG 3.41Å; R100-E104 PolarHBondContact O-N 3.46Å
101C97.7Very high96.3Very high0 Ų074 Ų740%036%0.358CS..Hα-helixtrans-60.6-40.6178.4-69.60000112.2L97 I98 E104 R105 R106 L212L97-C101 PolarHBondContact O-N 2.8Å; L97-C101 PolarHBondContact O-SG 3.41Å; I98-C101 WeakPolarHBondContact O-CB 3.25Å; I98-C101 PolarHBondContact O-N 3.17Å; I98-C101 VanDerWaalsContact O-N 3.09Å; C101-E104 CarbonylContact O-C 3.59Å; C101-E104 PolarHBondContact O-N 3.33Å; C101-R105 PolarHBondContact O-N 3.04Å; C101-R106 VanDerWaalsContact CB-O 3.22Å; C101-R106 WeakPolarHBondContact CB-O 3.28Å; C101-R106 PolarHBondContact O-N 3.36Å; C101-L212 HydrophobicContact CB-CD1 4.07Å; C101-L212 HydrophobicContact CB-CD2 3.79Å
102I97.8Very high96.5Very high89 Ų8973.4 Ų73.446%0.45635%0.347SS..Hα-helixtrans-60.8-48.9174-67166.4000110.6I98 T99 R100 E104 R105 L212I98-I102 HydrophobicContact CG2-CD1 3.86Å; I98-I102 HydrophobicContact CG2-CG1 4.42Å; I98-I102 WeakPolarHBondContact O-CG1 3.28Å; I98-I102 PolarHBondContact O-N 3.35Å; T99-I102 PolarHBondContact O-N 2.89Å; R100-I102 VanDerWaalsContact C-N 3.33Å; R100-I102 PolarHBondContact O-N 3.09Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 3.26Å; I102-R105 PolarHBondContact O-N 3.21Å; I102-L212 HydrophobicContact CD1-CB 4.31Å; I102-L212 WeakPolarHBondContact CD1-O 3.42Å; I102-L212 HydrophobicContact CG1-CB 3.75Å; I102-L212 HydrophobicContact CG1-CD1 4.14Å; I102-L212 HydrophobicContact CG1-CG 4.44Å
103K97.9Very high96.8Very high187 Ų18772 Ų7281%0.81333%0.332SS*.Hα-helixtrans-60.9-40.3179.4-174.8-179.6178.2-178.10112T99 R100 R105T99-K103 PolarHBondContact O-N 2.86Å; T99-K103 VanDerWaalsContact O-N 3.08Å; R100-K103 PolarHBondContact O-N 3.47Å; K103-R105 VanDerWaalsContact C-N 3.26Å; K103-R105 PolarHBondContact O-N 2.99Å
104E97.8Very high96.9Very high99 Ų9970.8 Ų70.846%0.46333%0.325SS..THydrogen-bonded Turntrans-79-5.6177.3-69.5172.4-169.200113.4R100 C101 I102 R106R100-E104 WeakPolarHBondContact CD-OE1 3.43Å; R100-E104 HydrophobicContact CG-CG 4.37Å; R100-E104 WeakPolarHBondContact CG-OE1 3.46Å; R100-E104 WeakPolarHBondContact O-CB 3.44Å; R100-E104 WeakPolarHBondContact O-CG 3.41Å; R100-E104 PolarHBondContact O-N 3.46Å; C101-E104 CarbonylContact O-C 3.59Å; C101-E104 PolarHBondContact O-N 3.33Å; I102-E104 VanDerWaalsContact C-N 3.3Å; I102-E104 PolarHBondContact O-N 3.26Å; E104-R106 HydrophobicContact CB-CB 4.19Å; E104-R106 PolarHBondContact O-N 2.99Å; E104-R106 IonicContact OE2-CZ 2.64Å; E104-R106 IonicContact OE2-NE 3.53Å; E104-R106 PolarHBondContact OE2-NE 3.47Å; E104-R106 IonicContact OE2-NH2 2.73Å; E104-R106 PolarHBondContact OE2-NH2 3.24Å
105R97Very high96.8Very high233 Ų23373.5 Ų73.588%0.87934%0.336SS*.THydrogen-bonded Turntrans51.838.2-173.8-57.6-178.7177.5-131.8-0.2112.8C101 I102 K103C101-R105 PolarHBondContact O-N 3.04Å; I102-R105 PolarHBondContact O-N 3.21Å; K103-R105 VanDerWaalsContact C-N 3.26Å; K103-R105 PolarHBondContact O-N 2.99Å
106R97.6Very high96.9Very high108 Ų10871.4 Ų71.441%0.40832%0.321SS..  trans-124.8127-173.9-176.8176.460.180.64.7110.3C101 E104C101-R106 VanDerWaalsContact CB-O 3.22Å; C101-R106 WeakPolarHBondContact CB-O 3.28Å; C101-R106 PolarHBondContact O-N 3.36Å; E104-R106 HydrophobicContact CB-CB 4.19Å; E104-R106 PolarHBondContact O-N 2.99Å; E104-R106 IonicContact OE2-CZ 2.64Å; E104-R106 IonicContact OE2-NE 3.53Å; E104-R106 PolarHBondContact OE2-NE 3.47Å; E104-R106 IonicContact OE2-NH2 2.73Å; E104-R106 PolarHBondContact OE2-NH2 3.24Å
107Y98.2Very high97Very high99 Ų9968.2 Ų68.239%0.38830%0.299SS..PPolyproline II helixtrans-80.4150174.2-70.7-77.7000112.1C210 L212 P237 R239Y107-C210 WeakPolarHBondContact CD1-O 3.48Å; Y107-C210 WeakPolarHBondContact CE1-O 3.34Å; Y107-L212 HydrophobicContact CD1-CD1 3.93Å; Y107-L212 HydrophobicContact CD1-CG 3.93Å; Y107-L212 HydrophobicContact CE1-CD1 4.14Å; Y107-L212 HydrophobicContact CE1-CG 4.11Å; Y107-P237 HydrophobicContact CD1-CG 4.36Å; Y107-P237 HydrophobicContact CE1-CG 3.74Å; Y107-R239 VanDerWaalsContact CB-CZ 3.47Å
108L97.9Very high97Very high10 Ų1067.7 Ų67.75%0.05230%0.296CS..PPolyproline II helixtrans-71.2142.1175.7-71.2169.9000111.5L97 F112 I113 L209 R239 Y240L97-L108 HydrophobicContact CD1-CD2 4.23Å; L97-L108 HydrophobicContact CD2-CD1 4.15Å; L97-L108 HydrophobicContact CD2-CD2 3.97Å; L97-L108 HydrophobicContact CG-CD1 4.48Å; L97-L108 HydrophobicContact CG-CD2 4.16Å; L108-F112 HydrophobicContact CB-CD1 4.44Å; L108-F112 HydrophobicContact CD1-CD1 4.22Å; L108-F112 HydrophobicContact CD1-CE1 4.12Å; L108-F112 HydrophobicContact CD2-CD1 4.1Å; L108-F112 HydrophobicContact CD2-CE1 4.25Å; L108-I113 HydrophobicContact CB-CD1 4.14Å; L108-I113 HydrophobicContact CB-CG1 4.21Å; L108-L209 HydrophobicContact CD1-CB 4.08Å; L108-L209 HydrophobicContact CD1-CD2 3.67Å; L108-L209 HydrophobicContact CD1-CG 4.44Å; L108-R239 PolarHBondContact O-NH1 3.13Å; L108-Y240 WeakPolarHBondContact O-CE1 3.5Å; L108-Y240 PolarHBondContact O-OH 3.47Å
109E97.7Very high97Very high126 Ų12667.6 Ų67.659%0.58930%0.295SS*.PPolyproline II helixtrans-64.9143.9176.2-67.8175.9179.100111.8E111 F112 I113E109-E111 VanDerWaalsContact C-N 3.29Å; E109-E111 PolarHBondContact O-N 3.19Å; E109-F112 WeakPolarHBondContact O-CB 3.43Å; E109-F112 PolarHBondContact O-N 3.2Å; E109-F112 VanDerWaalsContact O-N 3.16Å; E109-I113 WeakPolarHBondContact O-CG1 2.89Å; E109-I113 PolarHBondContact O-N 2.75Å
110E97.6Very high96.9Very high51 Ų5163.4 Ų63.424%0.23827%0.27CS..Hα-helixtrans-60.1-40.3-178.8-173164.3148.700111.9F112 I113 M114 Y240 S241 L244E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.41Å; E110-I113 PolarHBondContact O-N 3.38Å; E110-M114 HydrophobicContact CG-CG 4.24Å; E110-M114 WeakPolarHBondContact O-CG 3.11Å; E110-M114 PolarHBondContact O-N 3.18Å; E110-Y240 HydrophobicContact CB-CD1 4.05Å; E110-Y240 HydrophobicContact CB-CE1 4.41Å; E110-Y240 HydrophobicContact CG-CD1 4.3Å; E110-Y240 VanDerWaalsContact OE2-CA 3.23Å; E110-Y240 WeakPolarHBondContact OE2-CA 3.3Å; E110-S241 WeakPolarHBondContact OE1-CB 3.42Å; E110-S241 PolarHBondContact OE1-OG 3.25Å; E110-S241 PolarHBondContact OE2-N 3Å; E110-L244 HydrophobicContact CG-CD2 3.86Å
111E95.1Very high96.9Very high121 Ų12157.5 Ų57.557%0.56525%0.248SC*.Hα-helixtrans-57.4-40177.4-168.5-166145.900112.1E109 M114 R115E109-E111 VanDerWaalsContact C-N 3.29Å; E109-E111 PolarHBondContact O-N 3.19Å; E111-M114 PolarHBondContact O-N 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.34Å; E111-R115 PolarHBondContact O-N 3.19Å
112F95.7Very high96.7Very high18 Ų1858.1 Ų58.18%0.07925%0.251CS..Hα-helixtrans-64.1-46175.1175.6-99.9000111.1L94 L97 L108 E109 E110 M114 R115 V116 L149 Q153L94-F112 HydrophobicContact CD2-CE1 4.48Å; L94-F112 HydrophobicContact CD2-CZ 4.23Å; L97-F112 HydrophobicContact CD2-CE1 3.6Å; L97-F112 HydrophobicContact CD2-CZ 3.66Å; L108-F112 HydrophobicContact CB-CD1 4.44Å; L108-F112 HydrophobicContact CD1-CD1 4.22Å; L108-F112 HydrophobicContact CD1-CE1 4.12Å; L108-F112 HydrophobicContact CD2-CD1 4.1Å; L108-F112 HydrophobicContact CD2-CE1 4.25Å; E109-F112 WeakPolarHBondContact O-CB 3.43Å; E109-F112 PolarHBondContact O-N 3.2Å; E109-F112 VanDerWaalsContact O-N 3.16Å; E110-F112 VanDerWaalsContact C-N 3.27Å; E110-F112 PolarHBondContact O-N 3.41Å; F112-M114 VanDerWaalsContact C-N 3.27Å; F112-M114 PolarHBondContact O-N 3.18Å; F112-R115 PolarHBondContact O-N 3.02Å; F112-V116 HydrophobicContact CD1-CG2 4.15Å; F112-V116 HydrophobicContact CE1-CG2 3.71Å; F112-V116 HydrophobicContact CE2-CG2 4.22Å; F112-V116 HydrophobicContact CZ-CG2 3.75Å; F112-V116 WeakPolarHBondContact O-CG2 3.45Å; F112-V116 PolarHBondContact O-N 3.5Å; F112-L149 HydrophobicContact CE2-CD2 4.39Å; F112-L149 HydrophobicContact CZ-CD2 4.14Å; F112-Q153 HydrophobicContact CE2-CB 4.33Å
113I97.4Very high96.4Very high0 Ų053.9 Ų53.90%023%0.229CC..Hα-helixtrans-62.2-37.6179.5-59.7165.7000110.7L108 E109 E110 V116 M117 L206 L209 Y240L108-I113 HydrophobicContact CB-CD1 4.14Å; L108-I113 HydrophobicContact CB-CG1 4.21Å; E109-I113 WeakPolarHBondContact O-CG1 2.89Å; E109-I113 PolarHBondContact O-N 2.75Å; E110-I113 PolarHBondContact O-N 3.38Å; I113-V116 PolarHBondContact O-N 2.89Å; I113-M117 WeakPolarHBondContact O-CB 3.32Å; I113-M117 PolarHBondContact O-N 3.36Å; I113-L206 HydrophobicContact CG2-CD2 4.28Å; I113-L209 HydrophobicContact CD1-CB 4.48Å; I113-L209 HydrophobicContact CG1-CB 4.18Å; I113-Y240 HydrophobicContact CD1-CD1 4.29Å; I113-Y240 HydrophobicContact CD1-CE1 3.45Å; I113-Y240 VanDerWaalsContact CD1-CE1 3.45Å
114M96Very high96.2Very high7 Ų745 Ų453%0.03419%0.19CC..Hα-helixtrans-67.4-38.7174.7-65.4-57.582.700113.6E110 E111 F112 M117 A118 L244 L270 L271 L274E110-M114 HydrophobicContact CG-CG 4.24Å; E110-M114 WeakPolarHBondContact O-CG 3.11Å; E110-M114 PolarHBondContact O-N 3.18Å; E111-M114 PolarHBondContact O-N 3.26Å; F112-M114 VanDerWaalsContact C-N 3.27Å; F112-M114 PolarHBondContact O-N 3.18Å; M114-M117 HydrophobicContact CE-CB 3.95Å; M114-M117 HydrophobicContact CE-CE 3.48Å; M114-M117 VanDerWaalsContact CE-CE 3.48Å; M114-M117 HydrophobicContact CE-CG 4.46Å; M114-M117 HydrophobicContact CE-SD 3.7Å; M114-M117 PolarHBondContact O-N 2.93Å; M114-M117 HydrophobicContact SD-CE 4.5Å; M114-M117 HydrophobicContact SD-SD 4.17Å; M114-A118 WeakPolarHBondContact O-CB 3.4Å; M114-A118 PolarHBondContact O-N 3.38Å; M114-L244 HydrophobicContact CE-CD1 3.34Å; M114-L244 HydrophobicContact CE-CD2 4.04Å; M114-L244 HydrophobicContact CE-CG 4.31Å; M114-L244 HydrophobicContact SD-CD1 4.11Å; M114-L270 HydrophobicContact CG-CG 4.48Å; M114-L270 HydrophobicContact SD-CD1 4.23Å; M114-L270 HydrophobicContact SD-CD2 3.37Å; M114-L270 WeakPolarHBondContact SD-CD2 3.46Å; M114-L270 HydrophobicContact SD-CG 3.57Å; M114-L270 VanDerWaalsContact SD-CG 3.57Å; M114-L271 HydrophobicContact CB-CD2 4.09Å; M114-L271 HydrophobicContact CG-CD2 4.47Å; M114-L271 HydrophobicContact SD-CD2 3.77Å; M114-L274 HydrophobicContact CB-CD1 3.5Å
115R94.6Very high95.9Very high56 Ų5644.3 Ų44.321%0.21119%0.186CC..Hα-helixtrans-63.4-42.3170.3-73-172.2-69.5144-8.8112.1E111 F112 Q119 L274E111-R115 WeakPolarHBondContact O-CG 3.34Å; E111-R115 PolarHBondContact O-N 3.19Å; F112-R115 PolarHBondContact O-N 3.02Å; R115-Q119 VanDerWaalsContact O-CB 3.31Å; R115-Q119 WeakPolarHBondContact O-CB 3.44Å; R115-Q119 VanDerWaalsContact O-CG 3.28Å; R115-Q119 WeakPolarHBondContact O-CG 3.49Å; R115-Q119 PolarHBondContact O-N 2.99Å; R115-L274 HydrophobicContact CG-CD2 4.31Å
116V96.4Very high95.5Very high2 Ų235.8 Ų35.81%0.01216%0.158CC..Hα-helixtrans-60.4-49.4174.9174.60000110.5L94 F112 I113 Q119 L120 V155 L205 L206 L209L94-V116 HydrophobicContact CD1-CG1 4.12Å; F112-V116 HydrophobicContact CD1-CG2 4.15Å; F112-V116 HydrophobicContact CE1-CG2 3.71Å; F112-V116 HydrophobicContact CE2-CG2 4.22Å; F112-V116 HydrophobicContact CZ-CG2 3.75Å; F112-V116 WeakPolarHBondContact O-CG2 3.45Å; F112-V116 PolarHBondContact O-N 3.5Å; I113-V116 PolarHBondContact O-N 2.89Å; V116-Q119 PolarHBondContact O-N 3.23Å; V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 3.37Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 2.99Å; V116-V155 HydrophobicContact CB-CG1 4.33Å; V116-V155 HydrophobicContact CG1-CG1 4.12Å; V116-V155 HydrophobicContact CG2-CG1 3.75Å; V116-L205 HydrophobicContact CG1-CD2 4.46Å; V116-L206 HydrophobicContact CB-CD2 4.5Å; V116-L206 HydrophobicContact CG1-CD2 4.05Å; V116-L209 HydrophobicContact CB-CD1 4.28Å; V116-L209 HydrophobicContact CG1-CD1 3.85Å; V116-L209 HydrophobicContact CG2-CD1 4.37Å
117M97.4Very high94.9Very high0 Ų030.7 Ų30.70%014%0.139CC..Hα-helixtrans-56.9-53.4178.6-175.2-174.8-79.600111I113 M114 Q119 L120 T121 L206 L244 L247 L248 I265 L271I113-M117 WeakPolarHBondContact O-CB 3.32Å; I113-M117 PolarHBondContact O-N 3.36Å; M114-M117 HydrophobicContact CE-CB 3.95Å; M114-M117 HydrophobicContact CE-CE 3.48Å; M114-M117 VanDerWaalsContact CE-CE 3.48Å; M114-M117 HydrophobicContact CE-CG 4.46Å; M114-M117 HydrophobicContact CE-SD 3.7Å; M114-M117 PolarHBondContact O-N 2.93Å; M114-M117 HydrophobicContact SD-CE 4.5Å; M114-M117 HydrophobicContact SD-SD 4.17Å; M117-Q119 PolarHBondContact O-N 2.64Å; M117-L120 PolarHBondContact O-N 3.04Å; M117-T121 WeakPolarHBondContact O-CB 3.28Å; M117-T121 PolarHBondContact O-N 2.48Å; M117-T121 PolarHBondContact O-OG1 2.78Å; M117-L206 HydrophobicContact CB-CD1 3.95Å; M117-L206 HydrophobicContact CB-CD2 3.91Å; M117-L206 HydrophobicContact CE-CD1 3.58Å; M117-L206 HydrophobicContact CG-CD1 3.68Å; M117-L206 HydrophobicContact SD-CD1 4.41Å; M117-L244 HydrophobicContact CE-CD1 3.64Å; M117-L247 HydrophobicContact CE-CD2 3.97Å; M117-L247 HydrophobicContact CE-CG 4.46Å; M117-L247 HydrophobicContact SD-CD2 3.58Å; M117-L247 VanDerWaalsContact SD-CD2 3.58Å; M117-L248 HydrophobicContact CE-CD2 3.93Å; M117-I265 HydrophobicContact CG-CG2 4.45Å; M117-I265 HydrophobicContact SD-CG2 4.48Å; M117-L271 HydrophobicContact CB-CD2 4.45Å; M117-L271 HydrophobicContact CG-CD1 3.81Å; M117-L271 HydrophobicContact CG-CD2 4.47Å; M117-L271 HydrophobicContact SD-CD1 3.65Å; M117-L271 HydrophobicContact SD-CD2 4.08Å; M117-L271 HydrophobicContact SD-CG 4.15Å
118A96.2Very high94.3Very high0 Ų027.1 Ų27.10%013%0.125CC..Hα-helixtrans-57.5-49.3179.900000112.5M114 T121 L122 L271 V275M114-A118 WeakPolarHBondContact O-CB 3.4Å; M114-A118 PolarHBondContact O-N 3.38Å; A118-T121 PolarHBondContact O-N 3.47Å; A118-L122 WeakPolarHBondContact O-CB 3.07Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 3.18Å; A118-L271 HydrophobicContact CB-CD2 4.37Å; A118-V275 HydrophobicContact CB-CG2 4Å
119Q95.8Very high93.4Very high2 Ų233.8 Ų33.81%0.00915%0.15CC..Hα-helixtrans-68.4-39-176.5-72.9-17712.300112.9N66 R115 V116 M117 A123 N154 V155 E278N66-Q119 HydrophobicContact CB-CB 4.34Å; N66-Q119 WeakPolarHBondContact CB-O 3.01Å; N66-Q119 WeakPolarHBondContact ND2-CB 3.39Å; N66-Q119 WeakPolarHBondContact ND2-CG 3.19Å; N66-Q119 PolarHBondContact ND2-OE1 3.27Å; N66-Q119 VanDerWaalsContact ND2-OE1 3.14Å; R115-Q119 VanDerWaalsContact O-CB 3.31Å; R115-Q119 WeakPolarHBondContact O-CB 3.44Å; R115-Q119 VanDerWaalsContact O-CG 3.28Å; R115-Q119 WeakPolarHBondContact O-CG 3.49Å; R115-Q119 PolarHBondContact O-N 2.99Å; V116-Q119 PolarHBondContact O-N 3.23Å; M117-Q119 PolarHBondContact O-N 2.64Å; Q119-A123 PolarHBondContact O-N 2.74Å; Q119-N154 PolarHBondContact NE2-OD1 3.34Å; Q119-V155 HydrophobicContact CB-CG2 3.36Å; Q119-V155 HydrophobicContact CG-CG2 4.32Å; Q119-V155 VanDerWaalsContact OE1-CG2 3.28Å; Q119-E278 HydrophobicContact CG-CG 4.14Å; Q119-E278 PolarHBondContact NE2-OE1 3.14Å; Q119-E278 PolarHBondContact NE2-OE2 2.81Å
120L96.4Very high91.6Very high0 Ų037 Ų370%016%0.156CC..Hα-helixtrans-70.7-40.7175.4-68.9-176.7000111.9V116 M117 L122 A123 L124 I147 V155 L157 L202 L205V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 3.37Å; V116-L120 WeakPolarHBondContact O-CG 3.45Å; V116-L120 PolarHBondContact O-N 2.99Å; M117-L120 PolarHBondContact O-N 3.04Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.16Å; L120-A123 WeakPolarHBondContact O-CB 3.18Å; L120-A123 PolarHBondContact O-N 2.88Å; L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 3.24Å; L120-I147 HydrophobicContact CD1-CD1 4.23Å; L120-I147 HydrophobicContact CD1-CG1 4.22Å; L120-I147 HydrophobicContact CD1-CG2 4.33Å; L120-I147 HydrophobicContact CD2-CD1 3.87Å; L120-I147 HydrophobicContact CD2-CG1 4.46Å; L120-I147 HydrophobicContact CD2-CG2 3.95Å; L120-V155 HydrophobicContact CD2-CB 4.32Å; L120-V155 HydrophobicContact CD2-CG2 3.97Å; L120-V155 HydrophobicContact CG-CG2 3.99Å; L120-L157 HydrophobicContact CD2-CB 4.19Å; L120-L202 HydrophobicContact CB-CD1 3.85Å; L120-L202 HydrophobicContact CD1-CD1 3.64Å; L120-L202 HydrophobicContact CG-CD1 4.41Å; L120-L205 HydrophobicContact CD1-CD2 4.1Å
121T96.1Very high89.1Confident0 Ų036.9 Ų36.90%016%0.161CC..Hα-helixtrans-65.6-35.8176.2-550000111.5M117 A118 L124 K125 V262 I265 L266M117-T121 WeakPolarHBondContact O-CB 3.28Å; M117-T121 PolarHBondContact O-N 2.48Å; M117-T121 PolarHBondContact O-OG1 2.78Å; A118-T121 PolarHBondContact O-N 3.47Å; T121-L124 PolarHBondContact O-N 3Å; T121-K125 WeakPolarHBondContact O-CB 3.44Å; T121-K125 PolarHBondContact O-N 3.4Å; T121-V262 HydrophobicContact CG2-CB 3.95Å; T121-V262 HydrophobicContact CG2-CG1 4.24Å; T121-I265 HydrophobicContact CG2-CB 4.01Å; T121-I265 HydrophobicContact CG2-CD1 4.46Å; T121-I265 HydrophobicContact CG2-CG2 3.9Å; T121-L266 HydrophobicContact CG2-CD1 4.15Å; T121-L266 HydrophobicContact CG2-CD2 3.82Å; T121-L266 HydrophobicContact CG2-CG 3.63Å
122L94.2Very high86.7Confident13 Ų1339.2 Ų39.27%0.06818%0.178CC..Hα-helixtrans-62.9-43.7170.9-76.7169.8000112.2A118 L120 K125 D126 L266 V275 E278 L279A118-L122 WeakPolarHBondContact O-CB 3.07Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 3.18Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.16Å; L122-K125 PolarHBondContact O-N 2.85Å; L122-D126 PolarHBondContact O-N 2.85Å; L122-D126 VanDerWaalsContact O-N 3.13Å; L122-L266 HydrophobicContact CD2-CD1 4.03Å; L122-L266 HydrophobicContact CD2-CD2 4.06Å; L122-L266 HydrophobicContact CG-CD2 3.91Å; L122-V275 HydrophobicContact CD2-CG1 4.33Å; L122-E278 HydrophobicContact CD1-CB 4.1Å; L122-L279 HydrophobicContact CD2-CD2 4.11Å
123A92.4Very high84.5Confident0 Ų042.5 Ų42.50%022%0.216CC..Hα-helixtrans-60.8-4717500000111.6N66 I67 Q119 L120 K125 D126 C127 L157N66-A123 HydrophobicContact CB-CB 4.12Å; I67-A123 HydrophobicContact CD1-CB 4.46Å; I67-A123 HydrophobicContact CG1-CB 3.91Å; Q119-A123 PolarHBondContact O-N 2.74Å; L120-A123 WeakPolarHBondContact O-CB 3.18Å; L120-A123 PolarHBondContact O-N 2.88Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.04Å; A123-D126 PolarHBondContact O-N 3.16Å; A123-C127 PolarHBondContact O-N 3.46Å; A123-C127 VanDerWaalsContact O-N 3.13Å; A123-C127 PolarHBondContact O-SG 3.38Å; A123-L157 HydrophobicContact CB-CB 4.31Å; A123-L157 HydrophobicContact CB-CD2 4.16Å
124L92.4Very high82.5Confident0 Ų044.3 Ų44.30%024%0.235CC..Hα-helixtrans-63.1-39.8177.3-71.1177.7000112.1L120 T121 D126 C127 H128 H139 L142 L157 D198 L202 V262L120-L124 WeakPolarHBondContact O-CG 3.12Å; L120-L124 PolarHBondContact O-N 3.24Å; T121-L124 PolarHBondContact O-N 3Å; L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 3.47Å; L124-C127 PolarHBondContact O-N 2.94Å; L124-C127 VanDerWaalsContact O-N 3.14Å; L124-H128 WeakPolarHBondContact O-CB 3.48Å; L124-H128 PolarHBondContact O-N 2.83Å; L124-H139 HydrophobicContact CD2-CB 4.32Å; L124-L142 HydrophobicContact CD1-CD1 4.03Å; L124-L142 HydrophobicContact CD2-CD1 4.1Å; L124-L157 HydrophobicContact CD2-CD2 3.97Å; L124-L157 HydrophobicContact CG-CD2 4.46Å; L124-D198 HydrophobicContact CD1-CB 4.44Å; L124-D198 HydrophobicContact CD2-CB 4.34Å; L124-L202 HydrophobicContact CD1-CB 4.43Å; L124-L202 HydrophobicContact CD1-CD2 3.94Å; L124-V262 HydrophobicContact CB-CG1 4.18Å
125K91.8Very high81Confident85 Ų8548.1 Ų48.137%0.3727%0.268SS..Hα-helixtrans-56.2-44.9174179.1177.1178.81770111.4T121 L122 A123 C127 H128 R129 V262 L266T121-K125 WeakPolarHBondContact O-CB 3.44Å; T121-K125 PolarHBondContact O-N 3.4Å; L122-K125 PolarHBondContact O-N 2.85Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.04Å; K125-C127 VanDerWaalsContact C-N 3.3Å; K125-C127 PolarHBondContact O-N 2.76Å; K125-H128 PolarHBondContact O-N 3.25Å; K125-R129 VanDerWaalsContact O-CB 3.3Å; K125-R129 WeakPolarHBondContact O-CB 3.1Å; K125-R129 PolarHBondContact O-N 3.22Å; K125-V262 HydrophobicContact CB-CB 4.27Å; K125-V262 HydrophobicContact CB-CG2 4.02Å; K125-V262 HydrophobicContact CG-CG2 4.2Å; K125-L266 HydrophobicContact CB-CD1 4.37Å; K125-L266 HydrophobicContact CD-CD1 3.63Å
126D87.9Confident79.9Confident53 Ų5347.3 Ų47.328%0.28327%0.269SS..Hα-helixtrans-67.6-31.5179.9-126.733.8000112.2H64 L122 A123 L124 R129H64-D126 IonicContact CD2-OD2 3.87Å; H64-D126 PolarHBondContact CD2-OD2 3.35Å; H64-D126 IonicContact CG-OD2 3.51Å; L122-D126 PolarHBondContact O-N 2.85Å; L122-D126 VanDerWaalsContact O-N 3.13Å; A123-D126 PolarHBondContact O-N 3.16Å; L124-D126 VanDerWaalsContact C-N 3.29Å; L124-D126 PolarHBondContact O-N 3.47Å; D126-R129 IonicContact OD1-CZ 3.44Å; D126-R129 IonicContact OD1-NH1 3.41Å; D126-R129 PolarHBondContact OD1-NH1 3.47Å
127C85.1Confident78.9Confident2 Ų248.1 Ų48.11%0.01427%0.274CS..Hα-helixtrans-75.3-41.6174.7-62.40000113I67 A123 L124 K125 R129 V137 F160I67-C127 VanDerWaalsContact CD1-SG 3.54Å; A123-C127 PolarHBondContact O-N 3.46Å; A123-C127 VanDerWaalsContact O-N 3.13Å; A123-C127 PolarHBondContact O-SG 3.38Å; L124-C127 PolarHBondContact O-N 2.94Å; L124-C127 VanDerWaalsContact O-N 3.14Å; K125-C127 VanDerWaalsContact C-N 3.3Å; K125-C127 PolarHBondContact O-N 2.76Å; C127-R129 PolarHBondContact O-N 3.02Å; C127-V137 CarbonylContact C-O 3.52Å; C127-V137 HydrophobicContact CB-CB 4.15Å; C127-V137 HydrophobicContact CB-CG1 4.33Å; C127-V137 WeakPolarHBondContact O-CB 3.28Å; C127-V137 PolarHBondContact O-N 3.18Å; C127-F160 HydrophobicContact CB-CE1 4.03Å; C127-F160 WeakPolarHBondContact SG-CE1 3.42Å; C127-F160 WeakPolarHBondContact SG-CZ 3.28Å
128H85.6Confident77.9Confident23 Ų2349.5 Ų49.511%0.10628%0.281CS..Hα-helixtrans-73-21.5179.1-64172.3000111.7L124 K125 R130 T136 V137 D198L124-H128 WeakPolarHBondContact O-CB 3.48Å; L124-H128 PolarHBondContact O-N 2.83Å; K125-H128 PolarHBondContact O-N 3.25Å; H128-R130 PolarHBondContact O-N 2.92Å; H128-T136 HydrophobicContact CB-CG2 4.43Å; H128-V137 PolarHBondContact CD2-O 2.83Å; H128-D198 IonicContact CD2-OD2 3.47Å; H128-D198 IonicContact CE1-OD2 3.32Å; H128-D198 IonicContact NE2-OD2 3.67Å; H128-D198 PolarHBondContact NE2-OD2 2.85Å
129R79Confident77.1Confident150 Ų15049.5 Ų49.557%0.56628%0.282SS*.SBendtrans-65.1117.6178-164.1179.381-163.5-0.5111.1K125 D126 C127 S131K125-R129 VanDerWaalsContact O-CB 3.3Å; K125-R129 WeakPolarHBondContact O-CB 3.1Å; K125-R129 PolarHBondContact O-N 3.22Å; D126-R129 IonicContact OD1-CZ 3.44Å; D126-R129 IonicContact OD1-NH1 3.41Å; D126-R129 PolarHBondContact OD1-NH1 3.47Å; C127-R129 PolarHBondContact O-N 3.02Å; R129-S131 PolarHBondContact NE-OG 3.08Å; R129-S131 PolarHBondContact NH2-OG 3.14Å; R129-S131 VanDerWaalsContact NH2-OG 3.15Å; R129-S131 PolarHBondContact O-N 3.4Å
130R59.6Low76.3Confident193 Ų19353.2 Ų53.273%0.72830%0.296SS*.  trans-70.288.3170-60.1-178.1-175.4-178.44.6109.6H128 T136H128-R130 PolarHBondContact O-N 2.92Å; R130-T136 PolarHBondContact NE-OG1 2.95Å
131S46.8Very low75.4Confident49 Ų4955.5 Ų55.534%0.34331%0.307SS..  trans-90.9127.8174.2-51.70000109.1R129 G133 G134R129-S131 PolarHBondContact NE-OG 3.08Å; R129-S131 PolarHBondContact NH2-OG 3.14Å; R129-S131 VanDerWaalsContact NH2-OG 3.15Å; R129-S131 PolarHBondContact O-N 3.4Å; S131-G133 PolarHBondContact O-N 3.46Å; S131-G134 PolarHBondContact O-N 3.41Å
132N44.6Very low75Confident171 Ų17155.6 Ų55.691%0.91431%0.308SS*.THydrogen-bonded Turntrans62.236.8170.8-54.9-16.5000117.1G134N132-G134 PolarHBondContact O-N 2.91Å
133G48.8Very low74.8Confident86 Ų8657.7 Ų57.789%0.88732%0.317SS*.THydrogen-bonded Turntrans73.87.3-179.800000114.4S131S131-G133 PolarHBondContact O-N 3.46Å
134G55.4Low74.9Confident38 Ų3857.8 Ų57.839%0.39232%0.317SS..PPolyproline II helixtrans-74.9155.4173.300000113.1S131 N132S131-G134 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact O-N 2.91Å
135A63.4Low74.8Confident88 Ų8859.7 Ų59.773%0.72733%0.333SS*.PPolyproline II helixtrans-65.4144.2174.200000111.5V137A135-V137 PolarHBondContact O-N 2.86Å
136T72.9Confident74.7Confident39 Ų3956 Ų5624%0.23932%0.318CS..PPolyproline II helixtrans-52.5129.4170.3-63.40000110.4H128 R130 L138H128-T136 HydrophobicContact CB-CG2 4.43Å; R130-T136 PolarHBondContact NE-OG1 2.95Å; T136-L138 HydrophobicContact CG2-CD2 3.95Å; T136-L138 HydrophobicContact CG2-CG 4.42Å
137V75.4Confident75.1Confident19 Ų1953.5 Ų53.512%0.11530%0.304CS..  trans-89.2114.4175.6179.90000109.2L58 C127 H128 A135 F160L58-V137 HydrophobicContact CD1-CG2 3.65Å; L58-V137 HydrophobicContact CD2-CB 4.4Å; L58-V137 HydrophobicContact CD2-CG1 3.68Å; L58-V137 HydrophobicContact CD2-CG2 3.84Å; L58-V137 HydrophobicContact CG-CG2 4.05Å; C127-V137 CarbonylContact C-O 3.52Å; C127-V137 HydrophobicContact CB-CB 4.15Å; C127-V137 HydrophobicContact CB-CG1 4.33Å; C127-V137 WeakPolarHBondContact O-CB 3.28Å; C127-V137 PolarHBondContact O-N 3.18Å; H128-V137 PolarHBondContact CD2-O 2.83Å; A135-V137 PolarHBondContact O-N 2.86Å; V137-F160 HydrophobicContact CG1-CD1 4.36Å
138L76.9Confident75.5Confident28 Ų2856 Ų5615%0.14731%0.314CS..  trans-99.2135.9176.4-60.2171.2000109.2T136 R140 Y193 E195T136-L138 HydrophobicContact CG2-CD2 3.95Å; T136-L138 HydrophobicContact CG2-CG 4.42Å; L138-R140 HydrophobicContact CB-CG 3.98Å; L138-Y193 HydrophobicContact CB-CD1 4.03Å; L138-Y193 HydrophobicContact CB-CE1 3.9Å; L138-Y193 HydrophobicContact CD1-CD1 3.61Å; L138-Y193 HydrophobicContact CD1-CE1 4.27Å; L138-Y193 HydrophobicContact CD2-CD1 4.38Å; L138-Y193 HydrophobicContact CD2-CE1 4.33Å; L138-Y193 HydrophobicContact CG-CD1 4.2Å; L138-Y193 HydrophobicContact CG-CE1 4.37Å; L138-E195 HydrophobicContact CD2-CB 4.27Å
139H78.8Confident75.9Confident1 Ų155 Ų551%0.00531%0.31CS..  trans-76.2-44.8-176.2-175.5-79.5000112.3L124 D141 L142 L157 G158 F160 D198L124-H139 HydrophobicContact CD2-CB 4.32Å; H139-D141 PolarHBondContact CE1-O 2.87Å; H139-D141 VanDerWaalsContact ND1-C 3.27Å; H139-D141 PolarHBondContact ND1-N 2.83Å; H139-D141 PolarHBondContact O-N 3.28Å; H139-L142 HydrophobicContact CB-CG 4.21Å; H139-L142 PolarHBondContact ND1-N 2.88Å; H139-L157 WeakPolarHBondContact NE2-CD1 3.5Å; H139-G158 PolarHBondContact NE2-O 3.21Å; H139-F160 HydrophobicContact CB-CD1 4.46Å; H139-F160 HydrophobicContact CB-CE1 4.26Å; H139-F160 AromaticContact CD2-CD1 3.53Å; H139-F160 AromaticContact CD2-CE1 3.52Å; H139-F160 AromaticContact CD2-CG 3.83Å; H139-F160 AromaticContact CD2-CZ 3.87Å; H139-D198 WeakPolarHBondContact CB-OD1 3.36Å; H139-D198 PolarHBondContact N-OD1 3.43Å; H139-D198 PolarHBondContact N-OD2 2.68Å
140R77.9Confident76.5Confident80 Ų8049 Ų4930%0.30229%0.289SS..  trans67.7-12.8173.3-52.5177.5-179-158.3-1.1117.6L138 A163 R164 Y193 D198L138-R140 HydrophobicContact CB-CG 3.98Å; R140-A163 HydrophobicContact CB-CB 4.47Å; R140-R164 VanDerWaalsContact CZ-CG 3.47Å; R140-Y193 HydrophobicContact CB-CE2 4.48Å; R140-Y193 HydrophobicContact CG-CD1 4.06Å; R140-Y193 HydrophobicContact CG-CE1 3.89Å; R140-Y193 HydrophobicContact CG-CE2 4.41Å; R140-Y193 HydrophobicContact CG-CG 4.39Å; R140-D198 PolarHBondContact N-OD1 2.98Å
141D78.5Confident77.7Confident47 Ų4744.3 Ų44.325%0.25128%0.282SS..  trans-135.245.5177.4-16726.4000112.6H139 K143 N146 A163H139-D141 PolarHBondContact CE1-O 2.87Å; H139-D141 VanDerWaalsContact ND1-C 3.27Å; H139-D141 PolarHBondContact ND1-N 2.83Å; H139-D141 PolarHBondContact O-N 3.28Å; D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 IonicContact OD1-NZ 2.64Å; D141-K143 PolarHBondContact OD1-NZ 3.02Å; D141-K143 IonicContact OD2-NZ 3.64Å; D141-K143 PolarHBondContact OD2-NZ 3.39Å; D141-N146 VanDerWaalsContact CG-ND2 3.28Å; D141-N146 PolarHBondContact O-ND2 3.24Å; D141-N146 PolarHBondContact OD2-ND2 3.5Å; D141-A163 HydrophobicContact CB-CB 4.26Å
142L88.3Confident79.5Confident2 Ų248.9 Ų48.91%0.0130%0.296CS..  trans-70.4113.6176.2-82.6171.5000110.4L124 H139 I147 L157 Y182 D198 L202L124-L142 HydrophobicContact CD1-CD1 4.03Å; L124-L142 HydrophobicContact CD2-CD1 4.1Å; H139-L142 HydrophobicContact CB-CG 4.21Å; H139-L142 PolarHBondContact ND1-N 2.88Å; L142-I147 HydrophobicContact CD2-CD1 4.17Å; L142-L157 HydrophobicContact CD2-CD1 3.39Å; L142-L157 HydrophobicContact CD2-CD2 4.18Å; L142-L157 HydrophobicContact CD2-CG 4.46Å; L142-Y182 WeakPolarHBondContact O-CB 3.18Å; L142-D198 HydrophobicContact CD1-CB 3.97Å; L142-D198 VanDerWaalsContact CD1-O 3.31Å; L142-D198 WeakPolarHBondContact CD1-O 3.32Å; L142-L202 HydrophobicContact CD1-CB 4.34Å
143K89.9Confident81.4Confident58 Ų5844.2 Ų44.225%0.25227%0.268SS..  trans-156.3158.1176.264.4-173177.8-134.60110.4D141 A145 N146 Y182D141-K143 PolarHBondContact O-N 3.19Å; D141-K143 IonicContact OD1-NZ 2.64Å; D141-K143 PolarHBondContact OD1-NZ 3.02Å; D141-K143 IonicContact OD2-NZ 3.64Å; D141-K143 PolarHBondContact OD2-NZ 3.39Å; K143-A145 HydrophobicContact CG-CB 4.37Å; K143-A145 PolarHBondContact O-N 3.5Å; K143-A145 VanDerWaalsContact O-N 3.14Å; K143-N146 WeakPolarHBondContact CE-ND2 3.47Å; K143-N146 WeakPolarHBondContact CE-OD1 3.39Å; K143-N146 HydrophobicContact CG-CB 4.16Å; K143-N146 PolarHBondContact O-N 3.12Å; K143-Y182 HydrophobicContact CB-CD2 3.64Å; K143-Y182 HydrophobicContact CB-CE2 3.63Å; K143-Y182 HydrophobicContact CB-CG 4.2Å
144P93.3Very high83.3Confident2 Ų240.5 Ų40.51%0.01323%0.228CC..G310 helixtrans-53.3-37.3-178.1-27.534000114.4L94 S95 I98 N146 I147 Y182 L205 E208L94-P144 HydrophobicContact CB-CB 3.88Å; L94-P144 PolarHBondContact N-O 3.34Å; S95-P144 PolarHBondContact N-O 2.95Å; I98-P144 HydrophobicContact CD1-CB 3.84Å; I98-P144 HydrophobicContact CD1-CG 3.79Å; P144-N146 PolarHBondContact O-N 3.03Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.12Å; P144-Y182 WeakPolarHBondContact CD-OH 3.49Å; P144-Y182 HydrophobicContact CG-CE1 4.2Å; P144-Y182 WeakPolarHBondContact CG-OH 3.42Å; P144-L205 HydrophobicContact CG-CD1 4.47Å; P144-L205 HydrophobicContact CG-CG 4.29Å; P144-E208 VanDerWaalsContact CG-OE2 3.32Å; P144-E208 WeakPolarHBondContact CG-OE2 3.45Å
145A89.8Confident85.1Confident40 Ų4038.7 Ų38.733%0.33121%0.21SC..G310 helixtrans-65.3-18.4178.600000114.2K143K143-A145 HydrophobicContact CG-CB 4.37Å; K143-A145 PolarHBondContact O-N 3.5Å; K143-A145 VanDerWaalsContact O-N 3.14Å
146N91.1Very high86.6Confident8 Ų835.3 Ų35.34%0.04318%0.178CC..G310 helixtrans-101.82.2178.2-68.9-3.7000112.6D141 K143 P144 G158 D159D141-N146 VanDerWaalsContact CG-ND2 3.28Å; D141-N146 PolarHBondContact O-ND2 3.24Å; D141-N146 PolarHBondContact OD2-ND2 3.5Å; K143-N146 WeakPolarHBondContact CE-ND2 3.47Å; K143-N146 WeakPolarHBondContact CE-OD1 3.39Å; K143-N146 HydrophobicContact CG-CB 4.16Å; K143-N146 PolarHBondContact O-N 3.12Å; P144-N146 PolarHBondContact O-N 3.03Å; N146-G158 PolarHBondContact O-N 3.48Å; N146-D159 HydrophobicContact CB-CB 4.44Å; N146-D159 PolarHBondContact OD1-OD2 3.04Å
147I95.2Very high87.5Confident0 Ų033.4 Ų33.40%017%0.167CC..EExtended strand (participates in β ladder)trans-107.2114.8174.7-49.9-49.7000108.9D93 L94 L120 L142 P144 V155 L157 L205D93-I147 CarbonylContact C-O 3.56Å; D93-I147 VanDerWaalsContact CA-O 3.25Å; D93-I147 WeakPolarHBondContact CA-O 3.37Å; L94-I147 HydrophobicContact CB-CB 4.35Å; L94-I147 HydrophobicContact CD1-CB 3.61Å; L94-I147 HydrophobicContact CD1-CG1 4.14Å; L94-I147 HydrophobicContact CD1-CG2 3.45Å; L94-I147 VanDerWaalsContact CD1-CG2 3.45Å; L94-I147 HydrophobicContact CG-CB 3.83Å; L94-I147 HydrophobicContact CG-CG2 3.81Å; L94-I147 PolarHBondContact N-O 3.16Å; L120-I147 HydrophobicContact CD1-CD1 4.23Å; L120-I147 HydrophobicContact CD1-CG1 4.22Å; L120-I147 HydrophobicContact CD1-CG2 4.33Å; L120-I147 HydrophobicContact CD2-CD1 3.87Å; L120-I147 HydrophobicContact CD2-CG1 4.46Å; L120-I147 HydrophobicContact CD2-CG2 3.95Å; L142-I147 HydrophobicContact CD2-CD1 4.17Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.12Å; I147-V155 HydrophobicContact CG2-CB 3.81Å; I147-V155 HydrophobicContact CG2-CG1 3.86Å; I147-L157 HydrophobicContact CD1-CD1 3.24Å; I147-L157 HydrophobicContact CD1-CG 4.46Å; I147-L205 HydrophobicContact CD1-CD1 4.25Å; I147-L205 HydrophobicContact CG1-CD1 3.47Å; I147-L205 VanDerWaalsContact CG1-CD1 3.47Å
148F95Very high88.2Confident53 Ų5332.6 Ų32.623%0.23216%0.162CC..EExtended strand (participates in β ladder)trans-101.8154.6-175.8-57.8-84.1000112V68 C89 G92 D93 V155 K156V68-F148 HydrophobicContact CG2-CD2 3.69Å; V68-F148 HydrophobicContact CG2-CE2 4.34Å; V68-F148 HydrophobicContact CG2-CG 4.47Å; C89-F148 HydrophobicContact CB-CB 3.49Å; C89-F148 VanDerWaalsContact CB-CB 3.49Å; C89-F148 HydrophobicContact CB-CD1 4.47Å; C89-F148 HydrophobicContact CB-CG 4.21Å; G92-F148 CarbonylContact O-C 3.58Å; G92-F148 VanDerWaalsContact O-CA 3.28Å; G92-F148 WeakPolarHBondContact O-CA 3.22Å; D93-F148 HydrophobicContact CB-CD1 4.13Å; D93-F148 HydrophobicContact CB-CE1 4.27Å; F148-V155 CarbonylContact O-C 3.59Å; F148-V155 VanDerWaalsContact O-CA 3.28Å; F148-V155 WeakPolarHBondContact O-CA 3.35Å; F148-K156 PolarHBondContact N-O 3.28Å; F148-K156 PolarHBondContact O-N 3.36Å
149L94.2Very high88.1Confident2 Ų233.1 Ų33.11%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-109.3134.8177.3-66166.2000110.4C89 G91 G92 L94 L97 F112 N154 V155C89-L149 CarbonylContact C-O 3.57Å; C89-L149 WeakPolarHBondContact CB-O 3.39Å; G91-L149 WeakPolarHBondContact CA-O 3.5Å; G91-L149 PolarHBondContact N-O 2.92Å; G92-L149 PolarHBondContact O-N 3.28Å; L94-L149 HydrophobicContact CD2-CD1 4.03Å; L94-L149 HydrophobicContact CD2-CD2 4.02Å; L94-L149 HydrophobicContact CD2-CG 4.11Å; L97-L149 HydrophobicContact CD2-CD1 4.19Å; F112-L149 HydrophobicContact CE2-CD2 4.39Å; F112-L149 HydrophobicContact CZ-CD2 4.14Å; L149-N154 WeakPolarHBondContact CA-O 3.37Å; L149-V155 HydrophobicContact CD2-CG1 3.7Å
150D89.7Confident87.4Confident24 Ų2433.4 Ų33.413%0.12817%0.166CC..  trans-82.6176.9167.179.56.8000111.8K152 Q153 N154D150-K152 PolarHBondContact O-N 3.18Å; D150-K152 VanDerWaalsContact OD1-C 3.26Å; D150-K152 VanDerWaalsContact OD1-CA 3.28Å; D150-K152 WeakPolarHBondContact OD1-CA 3.49Å; D150-K152 WeakPolarHBondContact OD1-CB 3.46Å; D150-K152 PolarHBondContact OD1-N 3.27Å; D150-Q153 PolarHBondContact O-N 3.36Å; D150-Q153 PolarHBondContact OD1-N 3.19Å; D150-Q153 VanDerWaalsContact OD1-N 3.11Å; D150-N154 PolarHBondContact N-O 3.32Å; D150-N154 WeakPolarHBondContact OD1-CB 3.35Å; D150-N154 PolarHBondContact OD1-N 3.07Å; D150-N154 PolarHBondContact OD1-ND2 2.82Å; D150-N154 WeakPolarHBondContact OD2-CB 3.38Å; D150-N154 PolarHBondContact OD2-ND2 3.44Å
151V85.8Confident86.2Confident95 Ų9529.6 Ų29.658%0.57615%0.152SC*.THydrogen-bonded Turntrans-59.5-19.2179.1-59.40000114.1E90E90-V151 HydrophobicContact CB-CG1 3.76Å; E90-V151 HydrophobicContact CG-CG1 4.12Å; E90-V151 WeakPolarHBondContact OE2-CG1 3.36Å
152K85Confident85.1Confident146 Ų14628 Ų2864%0.63514%0.144SC*.THydrogen-bonded Turntrans-103.213.8178.9-57.3-173.6179.5-174.80111.9D150 N154D150-K152 PolarHBondContact O-N 3.18Å; D150-K152 VanDerWaalsContact OD1-C 3.26Å; D150-K152 VanDerWaalsContact OD1-CA 3.28Å; D150-K152 WeakPolarHBondContact OD1-CA 3.49Å; D150-K152 WeakPolarHBondContact OD1-CB 3.46Å; D150-K152 PolarHBondContact OD1-N 3.27Å; K152-N154 PolarHBondContact O-N 3.44Å
153Q83.4Confident83.2Confident73 Ų7328.3 Ų28.334%0.34115%0.147SC..SBendtrans59.926-177.2-58.9-69.9-50.600113.4F112 D150F112-Q153 HydrophobicContact CE2-CB 4.33Å; D150-Q153 PolarHBondContact O-N 3.36Å; D150-Q153 PolarHBondContact OD1-N 3.19Å; D150-Q153 VanDerWaalsContact OD1-N 3.11Å
154N88.9Confident81.4Confident7 Ų731.6 Ų31.64%0.03716%0.158CC..  trans-79.7142.6165.8-52.4-61.5000108.9Q119 L149 D150 K152 R285Q119-N154 PolarHBondContact NE2-OD1 3.34Å; L149-N154 WeakPolarHBondContact CA-O 3.37Å; D150-N154 PolarHBondContact N-O 3.32Å; D150-N154 WeakPolarHBondContact OD1-CB 3.35Å; D150-N154 PolarHBondContact OD1-N 3.07Å; D150-N154 PolarHBondContact OD1-ND2 2.82Å; D150-N154 WeakPolarHBondContact OD2-CB 3.38Å; D150-N154 PolarHBondContact OD2-ND2 3.44Å; K152-N154 PolarHBondContact O-N 3.44Å; N154-R285 PolarHBondContact ND2-NH2 2.97Å
155V94.8Very high79.3Confident1 Ų131.8 Ų31.81%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-85145176.7-67.60000112.2N66 V116 Q119 L120 I147 F148 L149N66-V155 WeakPolarHBondContact CA-O 3.47Å; N66-V155 WeakPolarHBondContact CB-O 3.47Å; N66-V155 PolarHBondContact ND2-O 3.23Å; V116-V155 HydrophobicContact CB-CG1 4.33Å; V116-V155 HydrophobicContact CG1-CG1 4.12Å; V116-V155 HydrophobicContact CG2-CG1 3.75Å; Q119-V155 HydrophobicContact CB-CG2 3.36Å; Q119-V155 HydrophobicContact CG-CG2 4.32Å; Q119-V155 VanDerWaalsContact OE1-CG2 3.28Å; L120-V155 HydrophobicContact CD2-CB 4.32Å; L120-V155 HydrophobicContact CD2-CG2 3.97Å; L120-V155 HydrophobicContact CG-CG2 3.99Å; I147-V155 HydrophobicContact CG2-CB 3.81Å; I147-V155 HydrophobicContact CG2-CG1 3.86Å; F148-V155 CarbonylContact O-C 3.59Å; F148-V155 VanDerWaalsContact O-CA 3.28Å; F148-V155 WeakPolarHBondContact O-CA 3.35Å; L149-V155 HydrophobicContact CD2-CG1 3.7Å
156K94Very high77.3Confident16 Ų1630.7 Ų30.77%0.0715%0.147CC..EExtended strand (participates in β ladder)trans-130.8118.2174.7-71.5172.8171.5-75.10109P65 N66 V68 E87 C89 F148 G158P65-K156 PolarHBondContact O-NZ 2.98Å; N66-K156 WeakPolarHBondContact O-CA 3.36Å; V68-K156 HydrophobicContact CG2-CB 3.82Å; E87-K156 VanDerWaalsContact CD-CE 3.45Å; E87-K156 WeakPolarHBondContact OE1-CE 3.13Å; E87-K156 IonicContact OE1-NZ 3.27Å; E87-K156 PolarHBondContact OE1-NZ 3.09Å; E87-K156 WeakPolarHBondContact OE2-CE 3.16Å; E87-K156 IonicContact OE2-NZ 3.36Å; E87-K156 PolarHBondContact OE2-NZ 2.95Å; C89-K156 VanDerWaalsContact SG-CD 3.58Å; F148-K156 PolarHBondContact N-O 3.28Å; F148-K156 PolarHBondContact O-N 3.36Å; K156-G158 PolarHBondContact O-N 3.34Å
157L92.6Very high75.2Confident0 Ų033.4 Ų33.40%016%0.162CC..EExtended strand (participates in β ladder)trans-73.4121.8173.7-176.754.3000109.4N66 I67 V68 L120 A123 L124 H139 L142 I147 F160N66-L157 WeakPolarHBondContact O-CB 3.43Å; N66-L157 PolarHBondContact O-N 3.14Å; I67-L157 CarbonylContact C-O 3.56Å; I67-L157 WeakPolarHBondContact CA-O 3.4Å; V68-L157 PolarHBondContact N-O 3.25Å; L120-L157 HydrophobicContact CD2-CB 4.19Å; A123-L157 HydrophobicContact CB-CB 4.31Å; A123-L157 HydrophobicContact CB-CD2 4.16Å; L124-L157 HydrophobicContact CD2-CD2 3.97Å; L124-L157 HydrophobicContact CG-CD2 4.46Å; H139-L157 WeakPolarHBondContact NE2-CD1 3.5Å; L142-L157 HydrophobicContact CD2-CD1 3.39Å; L142-L157 HydrophobicContact CD2-CD2 4.18Å; L142-L157 HydrophobicContact CD2-CG 4.46Å; I147-L157 HydrophobicContact CD1-CD1 3.24Å; I147-L157 HydrophobicContact CD1-CG 4.46Å; L157-F160 HydrophobicContact CB-CE2 3.77Å; L157-F160 HydrophobicContact CB-CZ 4.11Å; L157-F160 HydrophobicContact CD2-CE1 3.94Å; L157-F160 HydrophobicContact CD2-CE2 3.7Å; L157-F160 HydrophobicContact CD2-CZ 3.18Å; L157-F160 HydrophobicContact CG-CD2 4.26Å; L157-F160 HydrophobicContact CG-CE1 4.36Å; L157-F160 HydrophobicContact CG-CE2 3.35Å; L157-F160 HydrophobicContact CG-CZ 3.44Å; L157-F160 VanDerWaalsContact CG-CZ 3.44Å; L157-F160 WeakPolarHBondContact O-CE2 3.43Å
158G88.4Confident72.7Confident2 Ų239.6 Ų39.62%0.02119%0.19CC..  trans-115.6179.4179.500000113.1H139 N146 K156 F160H139-G158 PolarHBondContact NE2-O 3.21Å; N146-G158 PolarHBondContact O-N 3.48Å; K156-G158 PolarHBondContact O-N 3.34Å; G158-F160 VanDerWaalsContact C-N 3.32Å; G158-F160 PolarHBondContact O-N 2.92Å
159D75.9Confident70.1Confident39 Ų3942.7 Ų42.721%0.20921%0.209CC..  trans65.716.8173.4-83.4-0.3000118K37 N146 G161K37-D159 VanDerWaalsContact NZ-CG 3.27Å; K37-D159 IonicContact NZ-OD1 2.74Å; K37-D159 PolarHBondContact NZ-OD1 3.35Å; K37-D159 IonicContact NZ-OD2 2.77Å; K37-D159 PolarHBondContact NZ-OD2 3.03Å; K37-D159 VanDerWaalsContact NZ-OD2 3.09Å; N146-D159 HydrophobicContact CB-CB 4.44Å; N146-D159 PolarHBondContact OD1-OD2 3.04Å; D159-G161 VanDerWaalsContact C-N 3.26Å; D159-G161 PolarHBondContact O-N 3.07Å
160F63.7Low67.6Low6 Ų645 Ų453%0.02622%0.224CC..THydrogen-bonded Turntrans-48.4-29.2177.7-85.4-81.8000118L59 L62 I67 C127 V137 H139 L157 G158L59-F160 HydrophobicContact CD2-CB 3.5Å; L59-F160 VanDerWaalsContact CD2-CB 3.5Å; L62-F160 HydrophobicContact CD1-CB 4.08Å; L62-F160 HydrophobicContact CD1-CD1 3.97Å; L62-F160 HydrophobicContact CD1-CD2 4.36Å; L62-F160 HydrophobicContact CD1-CE1 4.48Å; L62-F160 HydrophobicContact CD1-CG 3.89Å; I67-F160 HydrophobicContact CB-CE2 4.07Å; I67-F160 HydrophobicContact CD1-CE2 3.83Å; I67-F160 HydrophobicContact CD1-CZ 3.67Å; I67-F160 HydrophobicContact CG1-CE2 3.63Å; I67-F160 HydrophobicContact CG1-CZ 3.84Å; I67-F160 HydrophobicContact CG2-CD2 3.81Å; I67-F160 HydrophobicContact CG2-CE2 3.48Å; I67-F160 VanDerWaalsContact CG2-CE2 3.48Å; I67-F160 HydrophobicContact CG2-CZ 4.4Å; C127-F160 HydrophobicContact CB-CE1 4.03Å; C127-F160 WeakPolarHBondContact SG-CE1 3.42Å; C127-F160 WeakPolarHBondContact SG-CZ 3.28Å; V137-F160 HydrophobicContact CG1-CD1 4.36Å; H139-F160 HydrophobicContact CB-CD1 4.46Å; H139-F160 HydrophobicContact CB-CE1 4.26Å; H139-F160 AromaticContact CD2-CD1 3.53Å; H139-F160 AromaticContact CD2-CE1 3.52Å; H139-F160 AromaticContact CD2-CG 3.83Å; H139-F160 AromaticContact CD2-CZ 3.87Å; L157-F160 HydrophobicContact CB-CE2 3.77Å; L157-F160 HydrophobicContact CB-CZ 4.11Å; L157-F160 HydrophobicContact CD2-CE1 3.94Å; L157-F160 HydrophobicContact CD2-CE2 3.7Å; L157-F160 HydrophobicContact CD2-CZ 3.18Å; L157-F160 HydrophobicContact CG-CD2 4.26Å; L157-F160 HydrophobicContact CG-CE1 4.36Å; L157-F160 HydrophobicContact CG-CE2 3.35Å; L157-F160 HydrophobicContact CG-CZ 3.44Å; L157-F160 VanDerWaalsContact CG-CZ 3.44Å; L157-F160 WeakPolarHBondContact O-CE2 3.43Å; G158-F160 VanDerWaalsContact C-N 3.32Å; G158-F160 PolarHBondContact O-N 2.92Å
161G53.4Low65.2Low1 Ų145.7 Ų45.71%0.0123%0.23CC..THydrogen-bonded Turntrans-128.617.7-158.800000115.7E55 D159E55-G161 WeakPolarHBondContact CB-O 3.43Å; D159-G161 VanDerWaalsContact C-N 3.26Å; D159-G161 PolarHBondContact O-N 3.07Å
162L54.4Low62.9Low12 Ų1248 Ų486%0.06323%0.233CC..THydrogen-bonded Turntrans-113.9-22.5166.6-63.3175.3000111.5K37 L39 L52 I84 R164 I165 L166K37-L162 HydrophobicContact CD-CD1 3.7Å; L39-L162 HydrophobicContact CD1-CD1 4.25Å; L39-L162 HydrophobicContact CD1-CD2 4.48Å; L39-L162 HydrophobicContact CD2-CD1 3.82Å; L39-L162 HydrophobicContact CD2-CD2 3.37Å; L39-L162 HydrophobicContact CD2-CG 4.22Å; L39-L162 HydrophobicContact CG-CD1 4.45Å; L52-L162 HydrophobicContact CD1-CD2 3.82Å; I84-L162 HydrophobicContact CD1-CD2 4.2Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.35Å; L162-R164 VanDerWaalsContact O-N 3.16Å; L162-I165 PolarHBondContact O-N 2.86Å; L162-L166 HydrophobicContact CB-CD1 3.64Å; L162-L166 HydrophobicContact CB-CG 4.19Å; L162-L166 WeakPolarHBondContact O-CB 3.37Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.22Å; L162-L166 PolarHBondContact O-N 3.35Å
163A49.2Very low60.5Low10 Ų1044.1 Ų44.18%0.08323%0.228CC..Hα-helixtrans-56.6-36.6-175.700000113.7R140 D141 N167R140-A163 HydrophobicContact CB-CB 4.47Å; D141-A163 HydrophobicContact CB-CB 4.26Å; A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.3Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 2.99Å; A163-N167 VanDerWaalsContact O-ND2 3.13Å; A163-N167 PolarHBondContact O-OD1 3.29Å
164R51.4Low58.5Low126 Ų12644.4 Ų44.448%0.47523%0.228SC..Hα-helixtrans-69.5-49.4-177.4-110.4178.176.7175.82.1114.4E55 R140 L162 N167E55-R164 WeakPolarHBondContact OE1-CB 3.31Å; E55-R164 WeakPolarHBondContact OE1-CD 3.39Å; E55-R164 IonicContact OE1-CZ 2.82Å; E55-R164 IonicContact OE1-NE 2.63Å; E55-R164 PolarHBondContact OE1-NE 2.88Å; E55-R164 IonicContact OE1-NH1 3.69Å; R140-R164 VanDerWaalsContact CZ-CG 3.47Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.35Å; L162-R164 VanDerWaalsContact O-N 3.16Å; R164-N167 PolarHBondContact O-N 3.41Å
165I49.2Very low56.4Low7 Ų746.5 Ų46.54%0.03624%0.241CC..Hα-helixtrans-68.7-43.2178.3-60.4139.5000109.9E48 M51 L52 E55 L162 N167 H168E48-I165 HydrophobicContact CB-CG2 4.43Å; M51-I165 HydrophobicContact CB-CD1 4.29Å; M51-I165 HydrophobicContact CB-CG1 3.47Å; M51-I165 VanDerWaalsContact CB-CG1 3.47Å; L52-I165 HydrophobicContact CB-CD1 3.92Å; L52-I165 HydrophobicContact CD1-CD1 3.98Å; L52-I165 VanDerWaalsContact N-CD1 3.34Å; E55-I165 HydrophobicContact CB-CD1 3.89Å; E55-I165 HydrophobicContact CG-CD1 3.41Å; E55-I165 VanDerWaalsContact CG-CD1 3.41Å; E55-I165 HydrophobicContact CG-CG1 4.03Å; L162-I165 PolarHBondContact O-N 2.86Å; I165-N167 PolarHBondContact O-N 3.48Å; I165-N167 VanDerWaalsContact O-N 3.14Å; I165-H168 PolarHBondContact O-N 2.97Å
166L47.9Very low53.7Low17 Ų1755 Ų559%0.08928%0.278CS..Hα-helixtrans-64.7-19.3179-63.5179.7000112.5Y19 L162 T170 S171Y19-L166 HydrophobicContact CD1-CD1 4.34Å; Y19-L166 HydrophobicContact CD1-CD2 3.38Å; Y19-L166 HydrophobicContact CD1-CG 4.44Å; Y19-L166 HydrophobicContact CD2-CD1 3.77Å; Y19-L166 HydrophobicContact CD2-CD2 4.35Å; Y19-L166 HydrophobicContact CE1-CD1 4.32Å; Y19-L166 HydrophobicContact CE1-CD2 3.38Å; Y19-L166 HydrophobicContact CE1-CG 4.27Å; Y19-L166 HydrophobicContact CE2-CD1 3.77Å; Y19-L166 HydrophobicContact CE2-CD2 4.36Å; Y19-L166 HydrophobicContact CG-CD1 4.05Å; Y19-L166 HydrophobicContact CG-CD2 3.86Å; L162-L166 HydrophobicContact CB-CD1 3.64Å; L162-L166 HydrophobicContact CB-CG 4.19Å; L162-L166 WeakPolarHBondContact O-CB 3.37Å; L162-L166 WeakPolarHBondContact O-CD1 3.43Å; L162-L166 WeakPolarHBondContact O-CG 3.22Å; L162-L166 PolarHBondContact O-N 3.35Å; L166-T170 PolarHBondContact O-OG1 3.38Å; L166-S171 PolarHBondContact O-N 3.49Å
167N46.2Very low51.4Low65 Ų6560.6 Ų60.635%0.34831%0.314SS..THydrogen-bonded Turntrans-85.1-13.4178.7-78.6-9.4000114.7A163 R164 I165 S171A163-N167 WeakPolarHBondContact O-CB 3.5Å; A163-N167 PolarHBondContact O-N 3.3Å; A163-N167 VanDerWaalsContact O-N 3.09Å; A163-N167 PolarHBondContact O-ND2 2.99Å; A163-N167 VanDerWaalsContact O-ND2 3.13Å; A163-N167 PolarHBondContact O-OD1 3.29Å; R164-N167 PolarHBondContact O-N 3.41Å; I165-N167 PolarHBondContact O-N 3.48Å; I165-N167 VanDerWaalsContact O-N 3.14Å; N167-S171 WeakPolarHBondContact O-CB 3.33Å; N167-S171 PolarHBondContact O-OG 2.83Å
168H44Very low49.8Very low130 Ų13062.6 Ų62.660%0.60233%0.334SS*.THydrogen-bonded Turntrans-73.9-34.4-172-137.2-76.3000113.1I165I165-H168 PolarHBondContact O-N 2.97Å
169D40.2Very low48.6Very low117 Ų11764.6 Ų64.663%0.62635%0.346SS*.SBendtrans-135.3-29175.5-72.6-47.4000114.4
170T41Very low48.9Very low52 Ų5264.6 Ų64.632%0.31935%0.348SS..THydrogen-bonded Turntrans-86.5-7.6-178.775.80000114.8Y19 L166 F172 A173 K174Y19-T170 HydrophobicContact CE1-CG2 4.3Å; Y19-T170 PolarHBondContact OH-OG1 3.02Å; L166-T170 PolarHBondContact O-OG1 3.38Å; T170-F172 PolarHBondContact O-N 3.34Å; T170-A173 PolarHBondContact O-N 2.94Å; T170-K174 WeakPolarHBondContact O-CB 3.47Å; T170-K174 PolarHBondContact O-N 3.06Å
171S40.7Very low50.1Low38 Ų3867.7 Ų67.727%0.26636%0.36SS..Hα-helixtrans-63.6-29.9174.858.10000112.5L166 N167 K174 T175L166-S171 PolarHBondContact O-N 3.49Å; N167-S171 WeakPolarHBondContact O-CB 3.33Å; N167-S171 PolarHBondContact O-OG 2.83Å; S171-K174 PolarHBondContact O-N 3.1Å; S171-T175 WeakPolarHBondContact O-CB 3.49Å; S171-T175 PolarHBondContact O-N 3.31Å; S171-T175 PolarHBondContact O-OG1 2.96Å
172F36.1Very low51.9Low144 Ų14469.4 Ų69.463%0.63237%0.366SS*.Hα-helixtrans-68.2-35.2176.1-117.8-86.7000112.4T170 T175T170-F172 PolarHBondContact O-N 3.34Å; F172-T175 WeakPolarHBondContact CA-OG1 3.44Å; F172-T175 PolarHBondContact O-OG1 2.58Å; F172-T175 VanDerWaalsContact O-OG1 3.11Å
173A35.7Very low53.6Low64 Ų6471.1 Ų71.153%0.52938%0.375SS..Hα-helixtrans-81.2-35.8174.400000112.2T170 F176T170-A173 PolarHBondContact O-N 2.94Å; A173-F176 WeakPolarHBondContact O-CA 3.26Å; A173-F176 WeakPolarHBondContact O-CB 3.44Å; A173-F176 PolarHBondContact O-N 3.11Å
174K41.5Very low55.6Low79 Ų7970.6 Ų70.634%0.34337%0.371SS..Hα-helixtrans-67.6-36.1175.8-103.8-177.9167.9161.10113.6Y19 T170 S171 F176 V177Y19-K174 HydrophobicContact CE2-CD 4.37Å; Y19-K174 VanDerWaalsContact CZ-CE 3.5Å; Y19-K174 VanDerWaalsContact CZ-NZ 3.34Å; Y19-K174 WeakPolarHBondContact OH-CD 3.47Å; Y19-K174 WeakPolarHBondContact OH-CE 3.41Å; Y19-K174 PolarHBondContact OH-NZ 3.02Å; T170-K174 WeakPolarHBondContact O-CB 3.47Å; T170-K174 PolarHBondContact O-N 3.06Å; S171-K174 PolarHBondContact O-N 3.1Å; K174-F176 PolarHBondContact O-N 2.64Å; K174-V177 PolarHBondContact O-N 2.88Å
175T45.1Very low57.5Low51 Ų5165 Ų6531%0.31335%0.351SS..G310 helixtrans-61.3-23169.433.70000110.5S171 F172 Q221S171-T175 WeakPolarHBondContact O-CB 3.49Å; S171-T175 PolarHBondContact O-N 3.31Å; S171-T175 PolarHBondContact O-OG1 2.96Å; F172-T175 WeakPolarHBondContact CA-OG1 3.44Å; F172-T175 PolarHBondContact O-OG1 2.58Å; F172-T175 VanDerWaalsContact O-OG1 3.11Å; T175-Q221 PolarHBondContact O-NE2 2.95Å; T175-Q221 PolarHBondContact O-OE1 3.43Å
176F37.5Very low59.3Low180 Ų18065.3 Ų65.379%0.78935%0.352SS*.G310 helixtrans-79-16.3175.5-107.7-94.5000115.5A173 K174A173-F176 WeakPolarHBondContact O-CA 3.26Å; A173-F176 WeakPolarHBondContact O-CB 3.44Å; A173-F176 PolarHBondContact O-N 3.11Å; K174-F176 PolarHBondContact O-N 2.64Å
177V45.3Very low61.1Low133 Ų13366.7 Ų66.781%0.80636%0.358SS*.G310 helixtrans-115.916.5-167.9-167.40000113.3K174K174-V177 PolarHBondContact O-N 2.88Å
178G57.9Low62.8Low42 Ų4265.4 Ų65.443%0.43335%0.351SS..SBendtrans-167.7164172.100000114.7P180 Q221G178-P180 WeakPolarHBondContact O-CD 3.45Å; G178-Q221 PolarHBondContact O-NE2 3.28Å
179T65.2Low64.5Low43 Ų4363.3 Ų63.326%0.26434%0.344SS..  trans-91.3111.6175.1-52.40000108.9Y181 L224T179-Y181 VanDerWaalsContact C-N 3.3Å; T179-Y181 VanDerWaalsContact CB-CZ 3.46Å; T179-Y181 HydrophobicContact CG2-CD1 3.79Å; T179-Y181 HydrophobicContact CG2-CE1 3.26Å; T179-Y181 HydrophobicContact CG2-CE2 4.11Å; T179-Y181 HydrophobicContact CG2-CG 4.42Å; T179-Y181 VanDerWaalsContact CG2-CZ 3.44Å; T179-Y181 WeakPolarHBondContact O-CD2 3.44Å; T179-Y181 PolarHBondContact O-N 3.03Å; T179-L224 HydrophobicContact CG2-CD1 4.33Å; T179-L224 HydrophobicContact CG2-CD2 3.66Å; T179-L224 HydrophobicContact CG2-CG 4.39Å
180P81.4Confident66.2Low39 Ų3967.7 Ų67.725%0.25335%0.352SS..  trans-80.869.5-169.833.3-37.2000112.6G178 Y182 M183 L224G178-P180 WeakPolarHBondContact O-CD 3.45Å; P180-Y182 PolarHBondContact O-N 2.89Å; P180-M183 HydrophobicContact CB-CB 4.18Å; P180-M183 HydrophobicContact CB-CE 3.97Å; P180-M183 HydrophobicContact CG-CE 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.18Å; P180-M183 PolarHBondContact O-N 3.19Å; P180-L224 HydrophobicContact CG-CD2 3.94Å
181Y88.9Confident67.9Low71 Ų7170.9 Ų70.928%0.27836%0.364SS..THydrogen-bonded Turntrans-58.3-20.1-172-61.3-65000116.3T179 P214 F216 T217 L224T179-Y181 VanDerWaalsContact C-N 3.3Å; T179-Y181 VanDerWaalsContact CB-CZ 3.46Å; T179-Y181 HydrophobicContact CG2-CD1 3.79Å; T179-Y181 HydrophobicContact CG2-CE1 3.26Å; T179-Y181 HydrophobicContact CG2-CE2 4.11Å; T179-Y181 HydrophobicContact CG2-CG 4.42Å; T179-Y181 VanDerWaalsContact CG2-CZ 3.44Å; T179-Y181 WeakPolarHBondContact O-CD2 3.44Å; T179-Y181 PolarHBondContact O-N 3.03Å; Y181-P214 HydrophobicContact CD1-CB 4.18Å; Y181-P214 HydrophobicContact CD1-CG 4.19Å; Y181-P214 HydrophobicContact CD2-CG 4.26Å; Y181-P214 HydrophobicContact CG-CB 4.15Å; Y181-P214 HydrophobicContact CG-CG 3.94Å; Y181-F216 VanDerWaalsContact CD1-O 3.26Å; Y181-F216 WeakPolarHBondContact CD1-O 3.4Å; Y181-T217 HydrophobicContact CE1-CG2 4.39Å; Y181-L224 HydrophobicContact CD1-CD1 4.12Å; Y181-L224 HydrophobicContact CE1-CD1 4.47Å
182Y92.1Very high69.5Low37 Ų3774 Ų7415%0.14539%0.386CS..THydrogen-bonded Turntrans-106.84.4-174.9-45.6-87.9000113.4L142 K143 P144 P180 S201 C204 E208L142-Y182 WeakPolarHBondContact O-CB 3.18Å; K143-Y182 HydrophobicContact CB-CD2 3.64Å; K143-Y182 HydrophobicContact CB-CE2 3.63Å; K143-Y182 HydrophobicContact CB-CG 4.2Å; P144-Y182 WeakPolarHBondContact CD-OH 3.49Å; P144-Y182 HydrophobicContact CG-CE1 4.2Å; P144-Y182 WeakPolarHBondContact CG-OH 3.42Å; P180-Y182 PolarHBondContact O-N 2.89Å; Y182-S201 WeakPolarHBondContact O-CB 3.46Å; Y182-S201 PolarHBondContact O-OG 2.75Å; Y182-C204 HydrophobicContact CD1-CB 3.61Å; Y182-C204 HydrophobicContact CE1-CB 4.32Å; Y182-C204 HydrophobicContact CG-CB 4.45Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.28Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.27Å; Y182-E208 VanDerWaalsContact CZ-OE2 3.25Å; Y182-E208 PolarHBondContact OH-OE1 2.82Å; Y182-E208 PolarHBondContact OH-OE2 3.35Å
183M89.6Confident71.5Confident48 Ų4869 Ų6924%0.23636%0.363CS..  trans-73.5133.8-179.3-169.5176.4-74.800110.5P180 Q187 I188 W200P180-M183 HydrophobicContact CB-CB 4.18Å; P180-M183 HydrophobicContact CB-CE 3.97Å; P180-M183 HydrophobicContact CG-CE 4.35Å; P180-M183 WeakPolarHBondContact O-CB 3.18Å; P180-M183 PolarHBondContact O-N 3.19Å; M183-Q187 HydrophobicContact CG-CB 3.33Å; M183-Q187 HydrophobicContact CG-CG 4.24Å; M183-Q187 HydrophobicContact SD-CB 4.03Å; M183-I188 HydrophobicContact CB-CG1 4.37Å; M183-I188 HydrophobicContact CG-CG1 3.83Å; M183-I188 HydrophobicContact SD-CG1 3.68Å; M183-W200 PolarHBondContact O-NE1 3.47Å; M183-W200 VanDerWaalsContact O-NE1 3.07Å
184S90.9Very high73.8Confident0 Ų067.5 Ų67.50%035%0.346CS..  trans-79.5159.7-179.667.80000113E186 Q187 I188 W200S184-E186 VanDerWaalsContact C-N 3.26Å; S184-E186 VanDerWaalsContact CB-CD 3.44Å; S184-E186 WeakPolarHBondContact CB-OE1 3.49Å; S184-E186 WeakPolarHBondContact CB-OE2 3.16Å; S184-E186 PolarHBondContact O-N 3.32Å; S184-E186 WeakPolarHBondContact OG-CG 3.23Å; S184-E186 PolarHBondContact OG-OE1 3.36Å; S184-E186 PolarHBondContact OG-OE2 2.81Å; S184-Q187 WeakPolarHBondContact O-CB 3.19Å; S184-Q187 PolarHBondContact O-N 3.18Å; S184-Q187 WeakPolarHBondContact OG-CG 3.3Å; S184-Q187 PolarHBondContact OG-OE1 3.29Å; S184-I188 WeakPolarHBondContact O-CG1 3.25Å; S184-I188 PolarHBondContact O-N 3.04Å; S184-W200 VanDerWaalsContact CA-CD1 3.43Å
185P91.6Very high76.1Confident9 Ų967.9 Ų67.96%0.05835%0.349CS..Hα-helixtrans-53.5-41.7177.5-26.833.5000113.2Q187 I188 N189 W200 I228 L254P185-Q187 PolarHBondContact O-N 3.47Å; P185-I188 PolarHBondContact O-N 3.45Å; P185-N189 WeakPolarHBondContact O-CB 3.35Å; P185-N189 VanDerWaalsContact O-CG 3.22Å; P185-N189 PolarHBondContact O-N 2.99Å; P185-N189 PolarHBondContact O-ND2 3.09Å; P185-W200 HydrophobicContact CG-CE3 4.18Å; P185-W200 HydrophobicContact CG-CH2 3.67Å; P185-W200 HydrophobicContact CG-CZ2 4.08Å; P185-W200 HydrophobicContact CG-CZ3 3.71Å; P185-I228 HydrophobicContact CB-CG2 4.36Å; P185-I228 HydrophobicContact CG-CG2 3.82Å; P185-L254 HydrophobicContact CG-CD2 3.92Å
186E87.3Confident78.4Confident12 Ų1266.9 Ų66.96%0.05634%0.34CS..Hα-helixtrans-66.1-35.6177.964.9-82.9-175.500112.5S184 N189 R190 M191 S197 R259S184-E186 VanDerWaalsContact C-N 3.26Å; S184-E186 VanDerWaalsContact CB-CD 3.44Å; S184-E186 WeakPolarHBondContact CB-OE1 3.49Å; S184-E186 WeakPolarHBondContact CB-OE2 3.16Å; S184-E186 PolarHBondContact O-N 3.32Å; S184-E186 WeakPolarHBondContact OG-CG 3.23Å; S184-E186 PolarHBondContact OG-OE1 3.36Å; S184-E186 PolarHBondContact OG-OE2 2.81Å; E186-N189 CarbonylContact O-C 3.58Å; E186-N189 PolarHBondContact O-N 3.47Å; E186-R190 PolarHBondContact O-N 3.42Å; E186-M191 HydrophobicContact CB-CB 3.98Å; E186-M191 HydrophobicContact CB-SD 4.28Å; E186-M191 WeakPolarHBondContact O-CB 3.47Å; E186-M191 PolarHBondContact O-N 3.48Å; E186-S197 WeakPolarHBondContact CG-OG 3.36Å; E186-S197 VanDerWaalsContact OE1-CA 3.23Å; E186-S197 WeakPolarHBondContact OE1-CA 3.46Å; E186-S197 VanDerWaalsContact OE1-CB 3.24Å; E186-S197 WeakPolarHBondContact OE1-CB 3.49Å; E186-S197 PolarHBondContact OE1-OG 3.13Å; E186-R259 IonicContact OE1-CZ 2.72Å; E186-R259 IonicContact OE1-NH1 3.16Å; E186-R259 PolarHBondContact OE1-NH1 3.31Å; E186-R259 IonicContact OE1-NH2 2.85Å; E186-R259 IonicContact OE2-CZ 3.66Å; E186-R259 IonicContact OE2-NH1 2.73Å; E186-R259 PolarHBondContact OE2-NH1 3.08Å; E186-R259 IonicContact OE2-NH2 2.8Å; E186-R259 PolarHBondContact OE2-NH2 2.99Å
187Q84Confident80.9Confident47 Ų4758.3 Ų58.322%0.2230%0.303CS..Hα-helixtrans-66.2-42.3173.1-75.2-178.3-79.500112.2M183 S184 P185 N189 R190 Y193M183-Q187 HydrophobicContact CG-CB 3.33Å; M183-Q187 HydrophobicContact CG-CG 4.24Å; M183-Q187 HydrophobicContact SD-CB 4.03Å; S184-Q187 WeakPolarHBondContact O-CB 3.19Å; S184-Q187 PolarHBondContact O-N 3.18Å; S184-Q187 WeakPolarHBondContact OG-CG 3.3Å; S184-Q187 PolarHBondContact OG-OE1 3.29Å; P185-Q187 PolarHBondContact O-N 3.47Å; Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 PolarHBondContact O-N 2.89Å; Q187-R190 PolarHBondContact O-N 2.94Å; Q187-R190 VanDerWaalsContact O-N 3.09Å; Q187-Y193 VanDerWaalsContact CD-CD2 3.41Å; Q187-Y193 HydrophobicContact CG-CD2 3.52Å; Q187-Y193 HydrophobicContact CG-CE2 3.93Å; Q187-Y193 VanDerWaalsContact NE2-CE2 3.33Å
188I82.9Confident83.2Confident38 Ų3852 Ų5220%0.19526%0.264CS..Hα-helixtrans-62.5-39177.4-66.9173.5000110.6M183 S184 P185 R190 A225 I228M183-I188 HydrophobicContact CB-CG1 4.37Å; M183-I188 HydrophobicContact CG-CG1 3.83Å; M183-I188 HydrophobicContact SD-CG1 3.68Å; S184-I188 WeakPolarHBondContact O-CG1 3.25Å; S184-I188 PolarHBondContact O-N 3.04Å; P185-I188 PolarHBondContact O-N 3.45Å; I188-R190 PolarHBondContact O-N 3.23Å; I188-A225 HydrophobicContact CD1-CB 4.48Å; I188-A225 HydrophobicContact CG2-CB 3.66Å; I188-I228 HydrophobicContact CD1-CB 3.66Å; I188-I228 HydrophobicContact CD1-CD1 3.44Å; I188-I228 VanDerWaalsContact CD1-CD1 3.44Å; I188-I228 HydrophobicContact CD1-CG1 4.13Å; I188-I228 HydrophobicContact CD1-CG2 3.45Å; I188-I228 VanDerWaalsContact CD1-CG2 3.45Å
189N79Confident85.1Confident85 Ų8550 Ų5046%0.45524%0.244SC..THydrogen-bonded Turntrans-80.57.5178-64.4-25.9000113.4P185 E186 Q187 M191P185-N189 WeakPolarHBondContact O-CB 3.35Å; P185-N189 VanDerWaalsContact O-CG 3.22Å; P185-N189 PolarHBondContact O-N 2.99Å; P185-N189 PolarHBondContact O-ND2 3.09Å; E186-N189 CarbonylContact O-C 3.58Å; E186-N189 PolarHBondContact O-N 3.47Å; Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 PolarHBondContact O-N 2.89Å; N189-M191 HydrophobicContact CB-CG 4.07Å; N189-M191 HydrophobicContact CB-SD 4.2Å; N189-M191 PolarHBondContact O-N 3.3Å
190R76.1Confident86.6Confident210 Ų21048 Ų4879%0.79223%0.231SC*.THydrogen-bonded Turntrans56.829.5-178.6-53.1-177.7178.6-160.6-1.7113.8E186 Q187 I188E186-R190 PolarHBondContact O-N 3.42Å; Q187-R190 PolarHBondContact O-N 2.94Å; Q187-R190 VanDerWaalsContact O-N 3.09Å; I188-R190 PolarHBondContact O-N 3.23Å
191M76.9Confident87.3Confident119 Ų11946.3 Ų46.359%0.58622%0.221SC*.PPolyproline II helixtrans-82.5170.7172.2-60.1175.965.900110.4E186 N189 Y193E186-M191 HydrophobicContact CB-CB 3.98Å; E186-M191 HydrophobicContact CB-SD 4.28Å; E186-M191 WeakPolarHBondContact O-CB 3.47Å; E186-M191 PolarHBondContact O-N 3.48Å; N189-M191 HydrophobicContact CB-CG 4.07Å; N189-M191 HydrophobicContact CB-SD 4.2Å; N189-M191 PolarHBondContact O-N 3.3Å; M191-Y193 PolarHBondContact O-N 3.03Å
192S75.6Confident87.7Confident102 Ų10242.9 Ų42.971%0.71321%0.207SC*.PPolyproline II helixtrans-64.7129.6178.945.70000111.8
193Y77.9Confident88Confident40 Ų4041.1 Ų41.116%0.15720%0.201CC..PPolyproline II helixtrans-69.6132.8171.5-167-78.8000110.2L138 R140 Q187 M191 D198L138-Y193 HydrophobicContact CB-CD1 4.03Å; L138-Y193 HydrophobicContact CB-CE1 3.9Å; L138-Y193 HydrophobicContact CD1-CD1 3.61Å; L138-Y193 HydrophobicContact CD1-CE1 4.27Å; L138-Y193 HydrophobicContact CD2-CD1 4.38Å; L138-Y193 HydrophobicContact CD2-CE1 4.33Å; L138-Y193 HydrophobicContact CG-CD1 4.2Å; L138-Y193 HydrophobicContact CG-CE1 4.37Å; R140-Y193 HydrophobicContact CB-CE2 4.48Å; R140-Y193 HydrophobicContact CG-CD1 4.06Å; R140-Y193 HydrophobicContact CG-CE1 3.89Å; R140-Y193 HydrophobicContact CG-CE2 4.41Å; R140-Y193 HydrophobicContact CG-CG 4.39Å; Q187-Y193 VanDerWaalsContact CD-CD2 3.41Å; Q187-Y193 HydrophobicContact CG-CD2 3.52Å; Q187-Y193 HydrophobicContact CG-CE2 3.93Å; Q187-Y193 VanDerWaalsContact NE2-CE2 3.33Å; M191-Y193 PolarHBondContact O-N 3.03Å; Y193-D198 WeakPolarHBondContact OH-CA 3.37Å; Y193-D198 VanDerWaalsContact OH-CG 3.29Å; Y193-D198 PolarHBondContact OH-N 3.18Å; Y193-D198 PolarHBondContact OH-OD1 2.91Å
194N82.7Confident88.4Confident33 Ų3338.9 Ų38.918%0.17619%0.189CC..  trans-132.1179.6177.165.126.5000111.5K196 S197 D256N194-K196 PolarHBondContact O-N 3.38Å; N194-K196 WeakPolarHBondContact OD1-CA 3.48Å; N194-K196 VanDerWaalsContact OD1-CB 3.26Å; N194-K196 WeakPolarHBondContact OD1-CB 3.29Å; N194-K196 PolarHBondContact OD1-N 3.24Å; N194-S197 PolarHBondContact N-OG 3.07Å; N194-S197 WeakPolarHBondContact O-CB 3.07Å; N194-S197 PolarHBondContact O-N 2.98Å; N194-S197 PolarHBondContact O-OG 3.02Å; N194-S197 PolarHBondContact OD1-N 3.2Å; N194-S197 PolarHBondContact OD1-OG 3.33Å; N194-D256 PolarHBondContact ND2-OD2 3.33Å
195E89.3Confident88.8Confident86 Ų8638.9 Ų38.940%0.40219%0.189SC..Hα-helixtrans-59.4-27.8178.466.9-75.8174.400113.1L138 S197 D198 I199L138-E195 HydrophobicContact CD2-CB 4.27Å; E195-S197 VanDerWaalsContact C-N 3.31Å; E195-D198 WeakPolarHBondContact O-CB 3.42Å; E195-D198 PolarHBondContact O-N 2.87Å; E195-I199 PolarHBondContact O-N 3.4Å
196K93.4Very high89.1Confident30 Ų3038.4 Ų38.413%0.1319%0.186CC..Hα-helixtrans-76-20.4176.9-57.1-59-165.873.80112.4N194 I199 W200 D256 R259N194-K196 PolarHBondContact O-N 3.38Å; N194-K196 WeakPolarHBondContact OD1-CA 3.48Å; N194-K196 VanDerWaalsContact OD1-CB 3.26Å; N194-K196 WeakPolarHBondContact OD1-CB 3.29Å; N194-K196 PolarHBondContact OD1-N 3.24Å; K196-I199 HydrophobicContact CD-CG1 4.36Å; K196-I199 PolarHBondContact O-N 3.25Å; K196-W200 PolarHBondContact O-N 2.9Å; K196-W200 VanDerWaalsContact O-N 3.11Å; K196-D256 HydrophobicContact CB-CB 3.87Å; K196-D256 WeakPolarHBondContact CG-O 3.37Å; K196-D256 PolarHBondContact NZ-O 3.46Å; K196-R259 HydrophobicContact CD-CB 4.46Å; K196-R259 PolarHBondContact NZ-O 3.34Å; K196-R259 WeakPolarHBondContact O-CD 3.35Å; K196-R259 PolarHBondContact O-NH1 3.38Å
197S91.6Very high89.6Confident0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-65.1-40168-50.50000110.9E186 N194 E195 I199 W200 S201E186-S197 WeakPolarHBondContact CG-OG 3.36Å; E186-S197 VanDerWaalsContact OE1-CA 3.23Å; E186-S197 WeakPolarHBondContact OE1-CA 3.46Å; E186-S197 VanDerWaalsContact OE1-CB 3.24Å; E186-S197 WeakPolarHBondContact OE1-CB 3.49Å; E186-S197 PolarHBondContact OE1-OG 3.13Å; N194-S197 PolarHBondContact N-OG 3.07Å; N194-S197 WeakPolarHBondContact O-CB 3.07Å; N194-S197 PolarHBondContact O-N 2.98Å; N194-S197 PolarHBondContact O-OG 3.02Å; N194-S197 PolarHBondContact OD1-N 3.2Å; N194-S197 PolarHBondContact OD1-OG 3.33Å; E195-S197 VanDerWaalsContact C-N 3.31Å; S197-I199 VanDerWaalsContact C-N 3.3Å; S197-I199 PolarHBondContact O-N 3.27Å; S197-W200 WeakPolarHBondContact O-CB 3.32Å; S197-W200 PolarHBondContact O-N 3.36Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 VanDerWaalsContact O-N 3.14Å; S197-S201 PolarHBondContact O-OG 3.41Å
198D92.7Very high90.3Very high0 Ų037.1 Ų37.10%018%0.18CC..Hα-helixtrans-63.5-37173.2-78.1-43.9000111L124 H128 H139 R140 L142 Y193 E195 W200 S201 L202L124-D198 HydrophobicContact CD1-CB 4.44Å; L124-D198 HydrophobicContact CD2-CB 4.34Å; H128-D198 IonicContact CD2-OD2 3.47Å; H128-D198 IonicContact CE1-OD2 3.32Å; H128-D198 IonicContact NE2-OD2 3.67Å; H128-D198 PolarHBondContact NE2-OD2 2.85Å; H139-D198 WeakPolarHBondContact CB-OD1 3.36Å; H139-D198 PolarHBondContact N-OD1 3.43Å; H139-D198 PolarHBondContact N-OD2 2.68Å; R140-D198 PolarHBondContact N-OD1 2.98Å; L142-D198 HydrophobicContact CD1-CB 3.97Å; L142-D198 VanDerWaalsContact CD1-O 3.31Å; L142-D198 WeakPolarHBondContact CD1-O 3.32Å; Y193-D198 WeakPolarHBondContact OH-CA 3.37Å; Y193-D198 VanDerWaalsContact OH-CG 3.29Å; Y193-D198 PolarHBondContact OH-N 3.18Å; Y193-D198 PolarHBondContact OH-OD1 2.91Å; E195-D198 WeakPolarHBondContact O-CB 3.42Å; E195-D198 PolarHBondContact O-N 2.87Å; D198-W200 PolarHBondContact O-N 2.86Å; D198-S201 PolarHBondContact O-N 2.93Å; D198-L202 WeakPolarHBondContact O-CB 3.37Å; D198-L202 PolarHBondContact O-N 3.43Å
199I97.5Very high91.1Very high1 Ų135.3 Ų35.31%0.00517%0.171CC..Hα-helixtrans-63.1-40.6175.9-59.5-55.2000112E195 K196 S197 L202 G203 M251 R259 V262 I265E195-I199 PolarHBondContact O-N 3.4Å; K196-I199 HydrophobicContact CD-CG1 4.36Å; K196-I199 PolarHBondContact O-N 3.25Å; S197-I199 VanDerWaalsContact C-N 3.3Å; S197-I199 PolarHBondContact O-N 3.27Å; I199-L202 PolarHBondContact O-N 2.86Å; I199-G203 PolarHBondContact O-N 3.21Å; I199-M251 HydrophobicContact CG2-CB 4.1Å; I199-M251 HydrophobicContact CG2-CE 4.09Å; I199-M251 HydrophobicContact CG2-CG 3.99Å; I199-R259 HydrophobicContact CG2-CB 4.1Å; I199-V262 HydrophobicContact CD1-CG1 3.79Å; I199-I265 HydrophobicContact CD1-CD1 3.93Å; I199-I265 HydrophobicContact CG2-CD1 4.25Å
200W97.6Very high92Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-60.5-51174173-80.5000111.3M183 S184 P185 K196 S197 D198 L202 G203 C204 F216 I228 L252 L254M183-W200 PolarHBondContact O-NE1 3.47Å; M183-W200 VanDerWaalsContact O-NE1 3.07Å; S184-W200 VanDerWaalsContact CA-CD1 3.43Å; P185-W200 HydrophobicContact CG-CE3 4.18Å; P185-W200 HydrophobicContact CG-CH2 3.67Å; P185-W200 HydrophobicContact CG-CZ2 4.08Å; P185-W200 HydrophobicContact CG-CZ3 3.71Å; K196-W200 PolarHBondContact O-N 2.9Å; K196-W200 VanDerWaalsContact O-N 3.11Å; S197-W200 WeakPolarHBondContact O-CB 3.32Å; S197-W200 PolarHBondContact O-N 3.36Å; D198-W200 PolarHBondContact O-N 2.86Å; W200-L202 VanDerWaalsContact C-N 3.3Å; W200-L202 PolarHBondContact O-N 3.44Å; W200-G203 WeakPolarHBondContact O-CA 3.48Å; W200-G203 PolarHBondContact O-N 3.05Å; W200-C204 PolarHBondContact O-N 3.46Å; W200-F216 AromaticContact CH2-CE2 3.75Å; W200-F216 HydrophobicContact CH2-CE2 3.75Å; W200-F216 AromaticContact CH2-CZ 3.82Å; W200-F216 HydrophobicContact CH2-CZ 3.82Å; W200-F216 HydrophobicContact CZ2-CD2 4.13Å; W200-F216 AromaticContact CZ2-CE2 3.35Å; W200-F216 HydrophobicContact CZ2-CE2 3.35Å; W200-F216 AromaticContact CZ2-CZ 3.91Å; W200-F216 HydrophobicContact CZ2-CZ 3.91Å; W200-I228 HydrophobicContact CH2-CG2 4.19Å; W200-I228 HydrophobicContact CZ2-CG2 3.73Å; W200-L252 HydrophobicContact CD2-CD2 4.15Å; W200-L252 HydrophobicContact CE3-CD2 4.36Å; W200-L252 VanDerWaalsContact CZ3-C 3.48Å; W200-L252 HydrophobicContact CZ3-CB 4.48Å; W200-L252 WeakPolarHBondContact CZ3-O 3.44Å; W200-L254 HydrophobicContact CH2-CD2 4.48Å
201S96.1Very high93.1Very high4 Ų422.3 Ų22.33%0.02812%0.12CC..Hα-helixtrans-61.8-38.3-179.8-55.70000112.2Y182 S197 D198 G203 C204 L205Y182-S201 WeakPolarHBondContact O-CB 3.46Å; Y182-S201 PolarHBondContact O-OG 2.75Å; S197-S201 PolarHBondContact O-N 3.44Å; S197-S201 VanDerWaalsContact O-N 3.14Å; S197-S201 PolarHBondContact O-OG 3.41Å; D198-S201 PolarHBondContact O-N 2.93Å; S201-G203 VanDerWaalsContact C-N 3.35Å; S201-C204 PolarHBondContact O-N 2.91Å; S201-L205 PolarHBondContact O-N 3.23Å
202L97.6Very high94Very high0 Ų017.7 Ų17.70%010%0.098CC..Hα-helixtrans-62.3-41.4171.3-179.262.7000111.5L120 L124 L142 D198 I199 W200 L205 L206 M251L120-L202 HydrophobicContact CB-CD1 3.85Å; L120-L202 HydrophobicContact CD1-CD1 3.64Å; L120-L202 HydrophobicContact CG-CD1 4.41Å; L124-L202 HydrophobicContact CD1-CB 4.43Å; L124-L202 HydrophobicContact CD1-CD2 3.94Å; L142-L202 HydrophobicContact CD1-CB 4.34Å; D198-L202 WeakPolarHBondContact O-CB 3.37Å; D198-L202 PolarHBondContact O-N 3.43Å; I199-L202 PolarHBondContact O-N 2.86Å; W200-L202 VanDerWaalsContact C-N 3.3Å; W200-L202 PolarHBondContact O-N 3.44Å; L202-L205 PolarHBondContact O-N 3.13Å; L202-L206 HydrophobicContact CD1-CD1 3.88Å; L202-L206 HydrophobicContact CD1-CG 4.06Å; L202-L206 HydrophobicContact CD2-CD1 4.36Å; L202-L206 HydrophobicContact CG-CD1 3.72Å; L202-L206 HydrophobicContact CG-CG 4.33Å; L202-L206 WeakPolarHBondContact O-CB 3.4Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.28Å; L202-L206 PolarHBondContact O-N 3.47Å; L202-M251 HydrophobicContact CB-CE 3.91Å; L202-M251 HydrophobicContact CD2-CE 3.65Å; L202-M251 HydrophobicContact CG-CE 3.63Å
203G98.4Very high95Very high0 Ų015.4 Ų15.40%08%0.081CC..Hα-helixtrans-59.3-45.5174.700000112.3I199 W200 S201 L205 L206 Y207I199-G203 PolarHBondContact O-N 3.21Å; W200-G203 WeakPolarHBondContact O-CA 3.48Å; W200-G203 PolarHBondContact O-N 3.05Å; S201-G203 VanDerWaalsContact C-N 3.35Å; G203-L205 PolarHBondContact O-N 3.21Å; G203-L206 PolarHBondContact O-N 3.02Å; G203-Y207 VanDerWaalsContact O-CB 3.27Å; G203-Y207 WeakPolarHBondContact O-CB 3.43Å; G203-Y207 PolarHBondContact O-N 2.95Å
204C98.3Very high95.9Very high0 Ų014.3 Ų14.30%08%0.079CC..Hα-helixtrans-60.9-44.2175.8-74.20000111.8Y182 W200 S201 Y207 E208 P215 L252Y182-C204 HydrophobicContact CD1-CB 3.61Å; Y182-C204 HydrophobicContact CE1-CB 4.32Å; Y182-C204 HydrophobicContact CG-CB 4.45Å; W200-C204 PolarHBondContact O-N 3.46Å; S201-C204 PolarHBondContact O-N 2.91Å; C204-Y207 PolarHBondContact O-N 3.13Å; C204-E208 WeakPolarHBondContact O-CB 3.49Å; C204-E208 PolarHBondContact O-N 3.36Å; C204-P215 HydrophobicContact CB-CG 4.11Å; C204-L252 VanDerWaalsContact SG-CD2 3.57Å
205L97.9Very high96.6Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-61.6-48.2178.4-178.3153.2000111.7L94 V116 L120 P144 I147 S201 L202 G203 E208 L209L94-L205 HydrophobicContact CD1-CD2 4.14Å; V116-L205 HydrophobicContact CG1-CD2 4.46Å; L120-L205 HydrophobicContact CD1-CD2 4.1Å; P144-L205 HydrophobicContact CG-CD1 4.47Å; P144-L205 HydrophobicContact CG-CG 4.29Å; I147-L205 HydrophobicContact CD1-CD1 4.25Å; I147-L205 HydrophobicContact CG1-CD1 3.47Å; I147-L205 VanDerWaalsContact CG1-CD1 3.47Å; S201-L205 PolarHBondContact O-N 3.23Å; L202-L205 PolarHBondContact O-N 3.13Å; G203-L205 PolarHBondContact O-N 3.21Å; L205-E208 PolarHBondContact O-N 3.48Å; L205-L209 HydrophobicContact CD2-CD1 3.86Å; L205-L209 HydrophobicContact CD2-CG 4.3Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 2.91Å
206L98.4Very high97Very high0 Ų09.4 Ų9.40%06%0.056CC..Hα-helixtrans-68.9-37.1-178.9-66.1167.1000111.5I113 V116 M117 L202 G203 E208 L209 C210 L248 M251I113-L206 HydrophobicContact CG2-CD2 4.28Å; V116-L206 HydrophobicContact CB-CD2 4.5Å; V116-L206 HydrophobicContact CG1-CD2 4.05Å; M117-L206 HydrophobicContact CB-CD1 3.95Å; M117-L206 HydrophobicContact CB-CD2 3.91Å; M117-L206 HydrophobicContact CE-CD1 3.58Å; M117-L206 HydrophobicContact CG-CD1 3.68Å; M117-L206 HydrophobicContact SD-CD1 4.41Å; L202-L206 HydrophobicContact CD1-CD1 3.88Å; L202-L206 HydrophobicContact CD1-CG 4.06Å; L202-L206 HydrophobicContact CD2-CD1 4.36Å; L202-L206 HydrophobicContact CG-CD1 3.72Å; L202-L206 HydrophobicContact CG-CG 4.33Å; L202-L206 WeakPolarHBondContact O-CB 3.4Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.28Å; L202-L206 PolarHBondContact O-N 3.47Å; G203-L206 PolarHBondContact O-N 3.02Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.42Å; L206-L209 HydrophobicContact CD2-CD1 4.22Å; L206-L209 PolarHBondContact O-N 3.08Å; L206-C210 PolarHBondContact O-N 3.23Å; L206-C210 PolarHBondContact O-SG 3.48Å; L206-C210 VanDerWaalsContact O-SG 3.33Å; L206-L248 HydrophobicContact CB-CD2 3.51Å; L206-L248 HydrophobicContact CD1-CD2 4.19Å; L206-M251 HydrophobicContact CD1-CE 4.11Å; L206-M251 HydrophobicContact CD1-SD 4.38Å
207Y98.7Very high96.9Very high12 Ų1211 Ų115%0.0477%0.068CC..Hα-helixtrans-56.8-45.9170.3-177.6-78.4000111.2G203 C204 L209 C210 A211 S213 P215 F233 R234 I236 L252G203-Y207 VanDerWaalsContact O-CB 3.27Å; G203-Y207 WeakPolarHBondContact O-CB 3.43Å; G203-Y207 PolarHBondContact O-N 2.95Å; C204-Y207 PolarHBondContact O-N 3.13Å; Y207-L209 VanDerWaalsContact C-N 3.34Å; Y207-L209 PolarHBondContact O-N 2.95Å; Y207-C210 WeakPolarHBondContact O-CA 3.48Å; Y207-C210 WeakPolarHBondContact O-CB 3.4Å; Y207-C210 PolarHBondContact O-N 2.95Å; Y207-C210 VanDerWaalsContact O-N 3.08Å; Y207-A211 HydrophobicContact CD1-CB 3.97Å; Y207-A211 HydrophobicContact CE1-CB 3.51Å; Y207-A211 WeakPolarHBondContact O-CB 3.34Å; Y207-A211 PolarHBondContact O-N 3.33Å; Y207-S213 WeakPolarHBondContact CD1-O 3.34Å; Y207-S213 WeakPolarHBondContact CE1-O 3.3Å; Y207-P215 HydrophobicContact CD1-CB 3.68Å; Y207-P215 HydrophobicContact CD1-CG 4.12Å; Y207-P215 HydrophobicContact CD2-CB 4.09Å; Y207-P215 VanDerWaalsContact CE1-CA 3.43Å; Y207-P215 HydrophobicContact CE1-CB 3.86Å; Y207-P215 HydrophobicContact CE2-CB 4.25Å; Y207-P215 HydrophobicContact CG-CB 3.81Å; Y207-P215 HydrophobicContact CG-CG 4.19Å; Y207-F233 HydrophobicContact CD2-CD2 4.2Å; Y207-F233 HydrophobicContact CD2-CE2 4.47Å; Y207-F233 AromaticContact CE2-CD2 3.68Å; Y207-F233 HydrophobicContact CE2-CD2 3.68Å; Y207-F233 HydrophobicContact CE2-CE2 4.25Å; Y207-R234 WeakPolarHBondContact CE2-O 3.36Å; Y207-R234 VanDerWaalsContact CZ-O 3.31Å; Y207-R234 PolarHBondContact OH-O 2.9Å; Y207-I236 HydrophobicContact CD2-CG2 3.55Å; Y207-I236 HydrophobicContact CE2-CG2 3.64Å; Y207-I236 HydrophobicContact CG-CG2 4.26Å; Y207-L252 HydrophobicContact CD2-CD1 4.28Å
208E98.4Very high96.9Very high19 Ų1911.6 Ų11.69%0.0897%0.074CC..Hα-helixtrans-66.5-34.5179.9-173.1178.7-169.200112.7I98 P144 Y182 C204 L205 L206 C210 L212 S213 P214I98-E208 HydrophobicContact CD1-CG 3.91Å; P144-E208 VanDerWaalsContact CG-OE2 3.32Å; P144-E208 WeakPolarHBondContact CG-OE2 3.45Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.28Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.27Å; Y182-E208 VanDerWaalsContact CZ-OE2 3.25Å; Y182-E208 PolarHBondContact OH-OE1 2.82Å; Y182-E208 PolarHBondContact OH-OE2 3.35Å; C204-E208 WeakPolarHBondContact O-CB 3.49Å; C204-E208 PolarHBondContact O-N 3.36Å; L205-E208 PolarHBondContact O-N 3.48Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.42Å; E208-C210 PolarHBondContact O-N 3.49Å; E208-L212 WeakPolarHBondContact O-CA 3.5Å; E208-L212 PolarHBondContact O-N 3.05Å; E208-S213 WeakPolarHBondContact CA-O 3.49Å; E208-P214 HydrophobicContact CG-CG 4.47Å
209L98.4Very high96.5Very high0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-62-34.1170.9-66.3175.7000112.3L94 I98 L108 I113 V116 L205 L206 Y207L94-L209 HydrophobicContact CD1-CD1 4.2Å; L94-L209 HydrophobicContact CD1-CD2 4.29Å; L94-L209 HydrophobicContact CD2-CD2 4.43Å; I98-L209 HydrophobicContact CD1-CD2 3.91Å; I98-L209 HydrophobicContact CG1-CD2 3.84Å; L108-L209 HydrophobicContact CD1-CB 4.08Å; L108-L209 HydrophobicContact CD1-CD2 3.67Å; L108-L209 HydrophobicContact CD1-CG 4.44Å; I113-L209 HydrophobicContact CD1-CB 4.48Å; I113-L209 HydrophobicContact CG1-CB 4.18Å; V116-L209 HydrophobicContact CB-CD1 4.28Å; V116-L209 HydrophobicContact CG1-CD1 3.85Å; V116-L209 HydrophobicContact CG2-CD1 4.37Å; L205-L209 HydrophobicContact CD2-CD1 3.86Å; L205-L209 HydrophobicContact CD2-CG 4.3Å; L205-L209 WeakPolarHBondContact O-CG 3.46Å; L205-L209 PolarHBondContact O-N 2.91Å; L206-L209 HydrophobicContact CD2-CD1 4.22Å; L206-L209 PolarHBondContact O-N 3.08Å; Y207-L209 VanDerWaalsContact C-N 3.34Å; Y207-L209 PolarHBondContact O-N 2.95Å
210C98.6Very high96Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-74.8-51.3175.4-62.10000112.1Y107 L206 Y207 E208 I236 Y240Y107-C210 WeakPolarHBondContact CD1-O 3.48Å; Y107-C210 WeakPolarHBondContact CE1-O 3.34Å; L206-C210 PolarHBondContact O-N 3.23Å; L206-C210 PolarHBondContact O-SG 3.48Å; L206-C210 VanDerWaalsContact O-SG 3.33Å; Y207-C210 WeakPolarHBondContact O-CA 3.48Å; Y207-C210 WeakPolarHBondContact O-CB 3.4Å; Y207-C210 PolarHBondContact O-N 2.95Å; Y207-C210 VanDerWaalsContact O-N 3.08Å; E208-C210 PolarHBondContact O-N 3.49Å; C210-I236 HydrophobicContact CB-CB 3.95Å; C210-I236 HydrophobicContact CB-CG2 3.79Å; C210-Y240 HydrophobicContact CB-CD2 3.91Å; C210-Y240 HydrophobicContact CB-CE2 3.62Å; C210-Y240 VanDerWaalsContact O-CE2 3.23Å; C210-Y240 WeakPolarHBondContact O-CE2 3.47Å; C210-Y240 PolarHBondContact O-OH 3.5Å
211A98.3Very high95.3Very high22 Ų2229.1 Ų29.118%0.18215%0.15CC..Hα-helixtrans-92-10.4-168.900000113.8Y207 S213Y207-A211 HydrophobicContact CD1-CB 3.97Å; Y207-A211 HydrophobicContact CE1-CB 3.51Å; Y207-A211 WeakPolarHBondContact O-CB 3.34Å; Y207-A211 PolarHBondContact O-N 3.33Å; A211-S213 PolarHBondContact O-N 3.44Å; A211-S213 VanDerWaalsContact O-N 3.16Å
212L97.8Very high95Very high23 Ų2336 Ų3612%0.1218%0.179CC..SBendtrans54.823.3-169.2-53.3179.3000113.3I98 C101 I102 Y107 E208I98-L212 HydrophobicContact CG2-CD2 4.27Å; C101-L212 HydrophobicContact CB-CD1 4.07Å; C101-L212 HydrophobicContact CB-CD2 3.79Å; I102-L212 HydrophobicContact CD1-CB 4.31Å; I102-L212 WeakPolarHBondContact CD1-O 3.42Å; I102-L212 HydrophobicContact CG1-CB 3.75Å; I102-L212 HydrophobicContact CG1-CD1 4.14Å; I102-L212 HydrophobicContact CG1-CG 4.44Å; Y107-L212 HydrophobicContact CD1-CD1 3.93Å; Y107-L212 HydrophobicContact CD1-CG 3.93Å; Y107-L212 HydrophobicContact CE1-CD1 4.14Å; Y107-L212 HydrophobicContact CE1-CG 4.11Å; E208-L212 WeakPolarHBondContact O-CA 3.5Å; E208-L212 PolarHBondContact O-N 3.05Å
213S96.5Very high94.7Very high53 Ų5338.2 Ų38.237%0.37119%0.19SC..SBendtrans-154.7142.5177174.10000108.6Y207 E208 A211Y207-S213 WeakPolarHBondContact CD1-O 3.34Å; Y207-S213 WeakPolarHBondContact CE1-O 3.3Å; E208-S213 WeakPolarHBondContact CA-O 3.49Å; A211-S213 PolarHBondContact O-N 3.44Å; A211-S213 VanDerWaalsContact O-N 3.16Å
214P96.6Very high94.4Very high17 Ų1738.4 Ų38.411%0.1119%0.191CC..  trans-57.8154.8173.3-23.432.9000112.5Y181 E208 F216 T217Y181-P214 HydrophobicContact CD1-CB 4.18Å; Y181-P214 HydrophobicContact CD1-CG 4.19Å; Y181-P214 HydrophobicContact CD2-CG 4.26Å; Y181-P214 HydrophobicContact CG-CB 4.15Å; Y181-P214 HydrophobicContact CG-CG 3.94Å; E208-P214 HydrophobicContact CG-CG 4.47Å; P214-F216 VanDerWaalsContact C-N 3.29Å; P214-F216 PolarHBondContact O-N 2.64Å; P214-T217 HydrophobicContact CB-CG2 4.25Å; P214-T217 HydrophobicContact CG-CG2 4.45Å
215P97.3Very high94Very high13 Ų1339.1 Ų39.18%0.08420%0.197CC..SBendtrans-66.6-30.7-179.824.3-32.1000113.3C204 Y207 F233 L252C204-P215 HydrophobicContact CB-CG 4.11Å; Y207-P215 HydrophobicContact CD1-CB 3.68Å; Y207-P215 HydrophobicContact CD1-CG 4.12Å; Y207-P215 HydrophobicContact CD2-CB 4.09Å; Y207-P215 VanDerWaalsContact CE1-CA 3.43Å; Y207-P215 HydrophobicContact CE1-CB 3.86Å; Y207-P215 HydrophobicContact CE2-CB 4.25Å; Y207-P215 HydrophobicContact CG-CB 3.81Å; Y207-P215 HydrophobicContact CG-CG 4.19Å; P215-F233 HydrophobicContact CB-CB 3.91Å; P215-F233 HydrophobicContact CB-CD2 4.48Å; P215-F233 HydrophobicContact CB-CG 4.17Å; P215-F233 WeakPolarHBondContact O-CB 3.41Å; P215-L252 HydrophobicContact CB-CD1 4.06Å; P215-L252 HydrophobicContact CG-CD1 4.11Å
216F96.3Very high93.7Very high3 Ų343.4 Ų43.41%0.01322%0.217CC..SBendtrans-121119.3178-49.3-78.5000108.7Y181 W200 P214 L224 K227 I228 F233Y181-F216 VanDerWaalsContact CD1-O 3.26Å; Y181-F216 WeakPolarHBondContact CD1-O 3.4Å; W200-F216 AromaticContact CH2-CE2 3.75Å; W200-F216 HydrophobicContact CH2-CE2 3.75Å; W200-F216 AromaticContact CH2-CZ 3.82Å; W200-F216 HydrophobicContact CH2-CZ 3.82Å; W200-F216 HydrophobicContact CZ2-CD2 4.13Å; W200-F216 AromaticContact CZ2-CE2 3.35Å; W200-F216 HydrophobicContact CZ2-CE2 3.35Å; W200-F216 AromaticContact CZ2-CZ 3.91Å; W200-F216 HydrophobicContact CZ2-CZ 3.91Å; P214-F216 VanDerWaalsContact C-N 3.29Å; P214-F216 PolarHBondContact O-N 2.64Å; F216-L224 HydrophobicContact CB-CD1 4Å; F216-L224 WeakPolarHBondContact O-CD1 3.41Å; F216-K227 HydrophobicContact CD1-CB 4.28Å; F216-I228 HydrophobicContact CB-CG1 3.88Å; F216-I228 HydrophobicContact CD1-CG1 4.29Å; F216-I228 HydrophobicContact CD2-CG1 3.82Å; F216-I228 HydrophobicContact CE2-CG1 4.47Å; F216-I228 HydrophobicContact CG-CG1 3.72Å; F216-F233 HydrophobicContact CE1-CB 4.11Å; F216-F233 AromaticContact CE1-CD1 3.97Å; F216-F233 HydrophobicContact CE1-CD1 3.97Å; F216-F233 HydrophobicContact CZ-CB 4.39Å; F216-F233 AromaticContact CZ-CD1 3.66Å; F216-F233 HydrophobicContact CZ-CD1 3.66Å; F216-F233 HydrophobicContact CZ-CE1 4.44Å; F216-F233 HydrophobicContact CZ-CG 4.38Å
217T92.6Very high93.5Very high63 Ų6346.7 Ų46.739%0.38723%0.231SC..  trans-127.6144.8177.158.10000109.9Y181 P214 K227Y181-T217 HydrophobicContact CE1-CG2 4.39Å; P214-T217 HydrophobicContact CB-CG2 4.25Å; P214-T217 HydrophobicContact CG-CG2 4.45Å; T217-K227 WeakPolarHBondContact O-CD 3.3Å; T217-K227 PolarHBondContact O-NZ 3Å
218A90.4Very high93.3Very high13 Ų1346.1 Ų46.111%0.10723%0.229CC..  trans-159.9161.4-178.300000110.4E223 L224 K227A218-E223 HydrophobicContact CB-CB 3.87Å; A218-E223 HydrophobicContact CB-CG 3.78Å; A218-L224 HydrophobicContact CB-CB 3.83Å; A218-L224 HydrophobicContact CB-CD1 4.25Å; A218-L224 VanDerWaalsContact CB-N 3.31Å; A218-K227 HydrophobicContact CB-CD 4.5Å
219Y85.3Confident93Very high219 Ų21950.9 Ų50.986%0.85925%0.246SC*.SBendtrans-83.2-19.2179.5-64.9-77.6000113E223Y219-E223 PolarHBondContact N-OE2 3.27Å; Y219-E223 VanDerWaalsContact N-OE2 3.1Å
220N85.8Confident92.9Very high78 Ų7855.9 Ų55.942%0.41727%0.269SS..SBendtrans-144.9165.8178.865.974.4000111.1K222 E223 L224N220-K222 PolarHBondContact O-N 2.97Å; N220-K222 WeakPolarHBondContact OD1-CB 3.39Å; N220-K222 PolarHBondContact OD1-N 3.49Å; N220-K222 VanDerWaalsContact OD1-N 3.13Å; N220-E223 PolarHBondContact O-N 2.87Å; N220-E223 PolarHBondContact OD1-N 3.37Å; N220-L224 PolarHBondContact O-N 2.98Å
221Q84.6Confident92.7Very high72 Ų7256.7 Ų56.734%0.33628%0.278SS..Hα-helixtrans-69-32.1-174.4-58.6-161.9-41.200114.1T175 G178 L224 A225T175-Q221 PolarHBondContact O-NE2 2.95Å; T175-Q221 PolarHBondContact O-OE1 3.43Å; G178-Q221 PolarHBondContact O-NE2 3.28Å; Q221-L224 PolarHBondContact O-N 2.97Å; Q221-A225 VanDerWaalsContact O-CB 3.3Å; Q221-A225 WeakPolarHBondContact O-CB 3.38Å; Q221-A225 PolarHBondContact O-N 3.06Å
222K88.1Confident92.5Very high148 Ų14862.6 Ų62.664%0.64330%0.3SS*.Hα-helixtrans-65.6-48.7178.8-177.3-176.6173.8-173.20110.1N220 L224 A225 E226N220-K222 PolarHBondContact O-N 2.97Å; N220-K222 WeakPolarHBondContact OD1-CB 3.39Å; N220-K222 PolarHBondContact OD1-N 3.49Å; N220-K222 VanDerWaalsContact OD1-N 3.13Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.11Å; K222-A225 PolarHBondContact O-N 2.96Å; K222-E226 WeakPolarHBondContact CE-OE1 3.48Å; K222-E226 WeakPolarHBondContact O-CG 3.37Å; K222-E226 PolarHBondContact O-N 3.4Å
223E91.7Very high92.5Very high48 Ų4864 Ų6422%0.22431%0.305CS..Hα-helixtrans-62.8-40.9176.1-175.5-161.2166.700111.1A218 Y219 N220 A225 E226 K227A218-E223 HydrophobicContact CB-CB 3.87Å; A218-E223 HydrophobicContact CB-CG 3.78Å; Y219-E223 PolarHBondContact N-OE2 3.27Å; Y219-E223 VanDerWaalsContact N-OE2 3.1Å; N220-E223 PolarHBondContact O-N 2.87Å; N220-E223 PolarHBondContact OD1-N 3.37Å; E223-A225 VanDerWaalsContact C-N 3.33Å; E223-A225 PolarHBondContact O-N 3.49Å; E223-E226 PolarHBondContact O-N 3.41Å; E223-K227 PolarHBondContact O-N 3.29Å; E223-K227 VanDerWaalsContact OE1-CE 3.3Å; E223-K227 WeakPolarHBondContact OE1-CE 3.48Å; E223-K227 IonicContact OE1-NZ 2.72Å; E223-K227 PolarHBondContact OE1-NZ 3.07Å
224L91.6Very high92.5Very high3 Ų371.5 Ų71.52%0.01633%0.325CS..Hα-helixtrans-59-47.2174.4-173.471.7000111.2T179 P180 Y181 F216 A218 N220 Q221 K222 E226 K227 I228T179-L224 HydrophobicContact CG2-CD1 4.33Å; T179-L224 HydrophobicContact CG2-CD2 3.66Å; T179-L224 HydrophobicContact CG2-CG 4.39Å; P180-L224 HydrophobicContact CG-CD2 3.94Å; Y181-L224 HydrophobicContact CD1-CD1 4.12Å; Y181-L224 HydrophobicContact CE1-CD1 4.47Å; F216-L224 HydrophobicContact CB-CD1 4Å; F216-L224 WeakPolarHBondContact O-CD1 3.41Å; A218-L224 HydrophobicContact CB-CB 3.83Å; A218-L224 HydrophobicContact CB-CD1 4.25Å; A218-L224 VanDerWaalsContact CB-N 3.31Å; N220-L224 PolarHBondContact O-N 2.98Å; Q221-L224 PolarHBondContact O-N 2.97Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.11Å; L224-E226 VanDerWaalsContact C-N 3.26Å; L224-E226 PolarHBondContact O-N 3.48Å; L224-K227 PolarHBondContact O-N 3.29Å; L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CD2-CD1 4.16Å; L224-I228 HydrophobicContact CG-CD1 3.78Å; L224-I228 HydrophobicContact CG-CG1 4.46Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 2.94Å
225A90.4Very high92.6Very high16 Ų1673.7 Ų73.713%0.13233%0.331CS..Hα-helixtrans-62.9-33.6179.300000112.4I188 Q221 K222 E223 R229I188-A225 HydrophobicContact CD1-CB 4.48Å; I188-A225 HydrophobicContact CG2-CB 3.66Å; Q221-A225 VanDerWaalsContact O-CB 3.3Å; Q221-A225 WeakPolarHBondContact O-CB 3.38Å; Q221-A225 PolarHBondContact O-N 3.06Å; K222-A225 PolarHBondContact O-N 2.96Å; E223-A225 VanDerWaalsContact C-N 3.33Å; E223-A225 PolarHBondContact O-N 3.49Å; A225-R229 WeakPolarHBondContact O-CB 3.44Å; A225-R229 VanDerWaalsContact O-CG 3.29Å; A225-R229 WeakPolarHBondContact O-CG 3.48Å; A225-R229 PolarHBondContact O-N 3.49Å; A225-R229 PolarHBondContact O-NE 2.93Å
226E92.8Very high92.7Very high90 Ų9073.1 Ų73.142%0.42133%0.328SS..Hα-helixtrans-67.4-47.1173.8-71.7170.3-176.100111.3K222 E223 L224 I228 R229 E230K222-E226 WeakPolarHBondContact CE-OE1 3.48Å; K222-E226 WeakPolarHBondContact O-CG 3.37Å; K222-E226 PolarHBondContact O-N 3.4Å; E223-E226 PolarHBondContact O-N 3.41Å; L224-E226 VanDerWaalsContact C-N 3.26Å; L224-E226 PolarHBondContact O-N 3.48Å; E226-I228 PolarHBondContact O-N 3.4Å; E226-R229 PolarHBondContact O-N 3.42Å; E226-E230 PolarHBondContact O-N 3.39Å
227K94.5Very high92.8Very high68 Ų6874.3 Ų74.330%0.29634%0.335SS..Hα-helixtrans-61.4-41.7176.6-72.6179.6179.4169.40112.7F216 T217 A218 E223 L224 E230 G231F216-K227 HydrophobicContact CD1-CB 4.28Å; T217-K227 WeakPolarHBondContact O-CD 3.3Å; T217-K227 PolarHBondContact O-NZ 3Å; A218-K227 HydrophobicContact CB-CD 4.5Å; E223-K227 PolarHBondContact O-N 3.29Å; E223-K227 VanDerWaalsContact OE1-CE 3.3Å; E223-K227 WeakPolarHBondContact OE1-CE 3.48Å; E223-K227 IonicContact OE1-NZ 2.72Å; E223-K227 PolarHBondContact OE1-NZ 3.07Å; L224-K227 PolarHBondContact O-N 3.29Å; K227-E230 PolarHBondContact O-N 2.96Å; K227-G231 PolarHBondContact O-N 2.77Å
228I94.5Very high93Very high0 Ų080.7 Ų80.70%035%0.354CS..Hα-helixtrans-65.5-39.8176.4-68.6169.6000110.8P185 I188 W200 F216 L224 E226 E230 G231 L254P185-I228 HydrophobicContact CB-CG2 4.36Å; P185-I228 HydrophobicContact CG-CG2 3.82Å; I188-I228 HydrophobicContact CD1-CB 3.66Å; I188-I228 HydrophobicContact CD1-CD1 3.44Å; I188-I228 VanDerWaalsContact CD1-CD1 3.44Å; I188-I228 HydrophobicContact CD1-CG1 4.13Å; I188-I228 HydrophobicContact CD1-CG2 3.45Å; I188-I228 VanDerWaalsContact CD1-CG2 3.45Å; W200-I228 HydrophobicContact CH2-CG2 4.19Å; W200-I228 HydrophobicContact CZ2-CG2 3.73Å; F216-I228 HydrophobicContact CB-CG1 3.88Å; F216-I228 HydrophobicContact CD1-CG1 4.29Å; F216-I228 HydrophobicContact CD2-CG1 3.82Å; F216-I228 HydrophobicContact CE2-CG1 4.47Å; F216-I228 HydrophobicContact CG-CG1 3.72Å; L224-I228 HydrophobicContact CD1-CD1 4.25Å; L224-I228 HydrophobicContact CD2-CD1 4.16Å; L224-I228 HydrophobicContact CG-CD1 3.78Å; L224-I228 HydrophobicContact CG-CG1 4.46Å; L224-I228 WeakPolarHBondContact O-CG1 3.39Å; L224-I228 PolarHBondContact O-N 2.94Å; E226-I228 PolarHBondContact O-N 3.4Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 3.12Å; I228-G231 PolarHBondContact O-N 3.34Å; I228-L254 WeakPolarHBondContact O-CD2 3.39Å
229R91.9Very high93.4Very high119 Ų11985.9 Ų85.945%0.44937%0.371SS..Hα-helixtrans-66.2-33.4175.2-81.8178.3-80139.9-9.1113A225 E226 G231 L254A225-R229 WeakPolarHBondContact O-CB 3.44Å; A225-R229 VanDerWaalsContact O-CG 3.29Å; A225-R229 WeakPolarHBondContact O-CG 3.48Å; A225-R229 PolarHBondContact O-N 3.49Å; A225-R229 PolarHBondContact O-NE 2.93Å; E226-R229 PolarHBondContact O-N 3.42Å; R229-G231 VanDerWaalsContact C-N 3.32Å; R229-L254 WeakPolarHBondContact O-CD1 3.45Å
230E95.1Very high94Very high105 Ų10575.7 Ų75.749%0.49133%0.33SS..Hα-helixtrans-70.8-30.8175.1-163.7-179.2-174.300111.9E226 K227 I228 K232E226-E230 PolarHBondContact O-N 3.39Å; K227-E230 PolarHBondContact O-N 2.96Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 3.12Å; E230-K232 HydrophobicContact CG-CB 4.34Å; E230-K232 HydrophobicContact CG-CD 3.93Å; E230-K232 HydrophobicContact CG-CG 3.96Å; E230-K232 PolarHBondContact O-N 3.49Å; E230-K232 VanDerWaalsContact OE1-CD 3.23Å; E230-K232 WeakPolarHBondContact OE1-CD 3.38Å; E230-K232 WeakPolarHBondContact OE1-CE 3.16Å; E230-K232 IonicContact OE1-NZ 3.79Å; E230-K232 PolarHBondContact OE1-NZ 2.74Å
231G94.1Very high94.6Very high18 Ų1873.4 Ų73.419%0.18632%0.321CS..THydrogen-bonded Turntrans6915.717700000113.9K227 I228 R229K227-G231 PolarHBondContact O-N 2.77Å; I228-G231 PolarHBondContact O-N 3.34Å; R229-G231 VanDerWaalsContact C-N 3.32Å
232K95Very high95.2Very high145 Ų14574.4 Ų74.463%0.6333%0.325SS*.  trans-96.6126.8177.3-67.7-177.6-162.1160.30110.4E230E230-K232 HydrophobicContact CG-CB 4.34Å; E230-K232 HydrophobicContact CG-CD 3.93Å; E230-K232 HydrophobicContact CG-CG 3.96Å; E230-K232 PolarHBondContact O-N 3.49Å; E230-K232 VanDerWaalsContact OE1-CD 3.23Å; E230-K232 WeakPolarHBondContact OE1-CD 3.38Å; E230-K232 WeakPolarHBondContact OE1-CE 3.16Å; E230-K232 IonicContact OE1-NZ 3.79Å; E230-K232 PolarHBondContact OE1-NZ 2.74Å
233F97Very high95.6Very high52 Ų5272.7 Ų72.723%0.22832%0.32CS..  trans-142.1161.2175.453.7-86.7000109Y207 P215 F216 L252Y207-F233 HydrophobicContact CD2-CD2 4.2Å; Y207-F233 HydrophobicContact CD2-CE2 4.47Å; Y207-F233 AromaticContact CE2-CD2 3.68Å; Y207-F233 HydrophobicContact CE2-CD2 3.68Å; Y207-F233 HydrophobicContact CE2-CE2 4.25Å; P215-F233 HydrophobicContact CB-CB 3.91Å; P215-F233 HydrophobicContact CB-CD2 4.48Å; P215-F233 HydrophobicContact CB-CG 4.17Å; P215-F233 WeakPolarHBondContact O-CB 3.41Å; F216-F233 HydrophobicContact CE1-CB 4.11Å; F216-F233 AromaticContact CE1-CD1 3.97Å; F216-F233 HydrophobicContact CE1-CD1 3.97Å; F216-F233 HydrophobicContact CZ-CB 4.39Å; F216-F233 AromaticContact CZ-CD1 3.66Å; F216-F233 HydrophobicContact CZ-CD1 3.66Å; F216-F233 HydrophobicContact CZ-CE1 4.44Å; F216-F233 HydrophobicContact CZ-CG 4.38Å; F233-L252 HydrophobicContact CD1-CD1 4.42Å; F233-L252 HydrophobicContact CD2-CD1 4.32Å; F233-L252 HydrophobicContact CE1-CB 3.74Å; F233-L252 HydrophobicContact CE1-CD1 4.09Å; F233-L252 HydrophobicContact CE2-CD1 3.99Å; F233-L252 HydrophobicContact CZ-CB 3.85Å; F233-L252 HydrophobicContact CZ-CD1 3.88Å
234R97.8Very high95.9Very high211 Ų21170.4 Ų70.480%0.79631%0.309SS*.PPolyproline II helixtrans-72151.1178.9-65.3-177.6178.8-174.3-0.6110.2Y207Y207-R234 WeakPolarHBondContact CE2-O 3.36Å; Y207-R234 VanDerWaalsContact CZ-O 3.31Å; Y207-R234 PolarHBondContact OH-O 2.9Å
235R98.3Very high96.3Very high64 Ų6471 Ų7124%0.24231%0.312CS..PPolyproline II helixtrans-55.4146.4166.4-163.8-168.5174.9-815.9109.9P237 Y240 E242 N245R235-P237 PolarHBondContact NH1-O 3.23Å; R235-Y240 PolarHBondContact NH2-O 3.35Å; R235-E242 IonicContact CZ-OE2 3.49Å; R235-E242 IonicContact NE-OE2 2.74Å; R235-E242 PolarHBondContact NE-OE2 2.98Å; R235-E242 VanDerWaalsContact NE-OE2 3.16Å; R235-E242 IonicContact NH2-OE2 2.68Å; R235-E242 PolarHBondContact NH2-OE2 2.98Å; R235-N245 WeakPolarHBondContact CG-OD1 3.27Å
236I98.6Very high96.6Very high1 Ų173.1 Ų73.11%0.00532%0.323CS..PPolyproline II helixtrans-59.4158.1166.363.2176.6000110.4Y207 C210 Y240 L244 N245 L248Y207-I236 HydrophobicContact CD2-CG2 3.55Å; Y207-I236 HydrophobicContact CE2-CG2 3.64Å; Y207-I236 HydrophobicContact CG-CG2 4.26Å; C210-I236 HydrophobicContact CB-CB 3.95Å; C210-I236 HydrophobicContact CB-CG2 3.79Å; I236-Y240 HydrophobicContact CB-CD2 4.38Å; I236-Y240 HydrophobicContact CD1-CD2 4.24Å; I236-Y240 HydrophobicContact CD1-CG 4.14Å; I236-Y240 HydrophobicContact CG1-CD2 4.39Å; I236-L244 HydrophobicContact CD1-CB 4.48Å; I236-L244 HydrophobicContact CD1-CD2 4.32Å; I236-L244 HydrophobicContact CD1-CG 3.94Å; I236-N245 HydrophobicContact CD1-CB 3.85Å; I236-N245 HydrophobicContact CG1-CB 3.89Å; I236-L248 HydrophobicContact CD1-CD1 4.18Å; I236-L248 HydrophobicContact CG2-CD1 3.92Å
237P98.5Very high96.9Very high27 Ų2769 Ų6918%0.17530%0.304CS..PPolyproline II helixtrans-50.8142.6179.4-29.336000113.7Y107 R235 R239 Y240Y107-P237 HydrophobicContact CD1-CG 4.36Å; Y107-P237 HydrophobicContact CE1-CG 3.74Å; R235-P237 PolarHBondContact NH1-O 3.23Å; P237-R239 HydrophobicContact CB-CG 4.14Å; P237-R239 PolarHBondContact O-N 3.49Å; P237-Y240 HydrophobicContact CB-CD2 3.99Å; P237-Y240 HydrophobicContact CB-CE2 3.99Å; P237-Y240 HydrophobicContact CG-CD2 4.32Å; P237-Y240 HydrophobicContact CG-CE2 4.03Å; P237-Y240 VanDerWaalsContact O-CD2 3.3Å; P237-Y240 WeakPolarHBondContact O-CD2 3.41Å; P237-Y240 PolarHBondContact O-N 3.45Å
238Y98.1Very high97Very high198 Ų19865.8 Ų65.878%0.77629%0.291SS*.THydrogen-bonded Turntrans-65.2-8-175.6-71.7-78.3000115.6Y240Y238-Y240 PolarHBondContact O-N 3.31Å
239R97.8Very high97.2Very high122 Ų12267.9 Ų67.946%0.4631%0.305SS..THydrogen-bonded Turntrans-68.9-15.6170.769.9-171.2-64.2-92.82113.6Y107 L108 P237Y107-R239 VanDerWaalsContact CB-CZ 3.47Å; L108-R239 PolarHBondContact O-NH1 3.13Å; P237-R239 HydrophobicContact CB-CG 4.14Å; P237-R239 PolarHBondContact O-N 3.49Å
240Y98.4Very high97.5Very high4 Ų467.9 Ų67.92%0.01631%0.305CS..SBendtrans-97.7144.4178.3-59.3-68.3000111.1L108 E110 I113 C210 R235 I236 P237 Y238 L244L108-Y240 WeakPolarHBondContact O-CE1 3.5Å; L108-Y240 PolarHBondContact O-OH 3.47Å; E110-Y240 HydrophobicContact CB-CD1 4.05Å; E110-Y240 HydrophobicContact CB-CE1 4.41Å; E110-Y240 HydrophobicContact CG-CD1 4.3Å; E110-Y240 VanDerWaalsContact OE2-CA 3.23Å; E110-Y240 WeakPolarHBondContact OE2-CA 3.3Å; I113-Y240 HydrophobicContact CD1-CD1 4.29Å; I113-Y240 HydrophobicContact CD1-CE1 3.45Å; I113-Y240 VanDerWaalsContact CD1-CE1 3.45Å; C210-Y240 HydrophobicContact CB-CD2 3.91Å; C210-Y240 HydrophobicContact CB-CE2 3.62Å; C210-Y240 VanDerWaalsContact O-CE2 3.23Å; C210-Y240 WeakPolarHBondContact O-CE2 3.47Å; C210-Y240 PolarHBondContact O-OH 3.5Å; R235-Y240 PolarHBondContact NH2-O 3.35Å; I236-Y240 HydrophobicContact CB-CD2 4.38Å; I236-Y240 HydrophobicContact CD1-CD2 4.24Å; I236-Y240 HydrophobicContact CD1-CG 4.14Å; I236-Y240 HydrophobicContact CG1-CD2 4.39Å; P237-Y240 HydrophobicContact CB-CD2 3.99Å; P237-Y240 HydrophobicContact CB-CE2 3.99Å; P237-Y240 HydrophobicContact CG-CD2 4.32Å; P237-Y240 HydrophobicContact CG-CE2 4.03Å; P237-Y240 VanDerWaalsContact O-CD2 3.3Å; P237-Y240 WeakPolarHBondContact O-CD2 3.41Å; P237-Y240 PolarHBondContact O-N 3.45Å; Y238-Y240 PolarHBondContact O-N 3.31Å; Y240-L244 HydrophobicContact CD1-CD2 4.23Å; Y240-L244 HydrophobicContact CG-CD2 4.46Å
241S98.1Very high97.7Very high30 Ų3062.9 Ų62.921%0.2128%0.281CS..  trans-55.5153.2-179.168.50000113.1E110 E243 L244 N245E110-S241 WeakPolarHBondContact OE1-CB 3.42Å; E110-S241 PolarHBondContact OE1-OG 3.25Å; E110-S241 PolarHBondContact OE2-N 3Å; S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 WeakPolarHBondContact CB-OE2 3.16Å; S241-L244 PolarHBondContact O-N 3.24Å; S241-L244 VanDerWaalsContact OG-CB 3.27Å; S241-L244 WeakPolarHBondContact OG-CB 3.48Å; S241-L244 PolarHBondContact OG-N 2.91Å; S241-N245 PolarHBondContact O-N 2.75Å
242E97.6Very high97.9Very high93 Ų9362.2 Ų62.244%0.43527%0.274SS..Hα-helixtrans-71-29.4177.1-168.154.4-132.900111.1R235 N245 T246R235-E242 IonicContact CZ-OE2 3.49Å; R235-E242 IonicContact NE-OE2 2.74Å; R235-E242 PolarHBondContact NE-OE2 2.98Å; R235-E242 VanDerWaalsContact NE-OE2 3.16Å; R235-E242 IonicContact NH2-OE2 2.68Å; R235-E242 PolarHBondContact NH2-OE2 2.98Å; E242-N245 PolarHBondContact O-N 3.4Å; E242-N245 PolarHBondContact OE1-ND2 2.64Å; E242-T246 VanDerWaalsContact O-CB 3.23Å; E242-T246 WeakPolarHBondContact O-CB 3.39Å; E242-T246 PolarHBondContact O-N 3.37Å; E242-T246 PolarHBondContact O-OG1 3.43Å
243E96.8Very high98Very high113 Ų11358.6 Ų58.653%0.52826%0.259SS..Hα-helixtrans-59.7-47.5174.1-65.974.9-168.100111S241 T246 L247 L270S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 WeakPolarHBondContact CB-OE2 3.16Å; E243-T246 PolarHBondContact O-N 3.07Å; E243-L247 PolarHBondContact O-N 2.92Å; E243-L270 HydrophobicContact CB-CD1 4.37Å
244L97.9Very high97.9Very high0 Ų059.3 Ų59.30%027%0.265CS..Hα-helixtrans-62.7-49.6175.2176.150.7000111.3E110 M114 M117 I236 Y240 S241 T246 L247 L248 L270E110-L244 HydrophobicContact CG-CD2 3.86Å; M114-L244 HydrophobicContact CE-CD1 3.34Å; M114-L244 HydrophobicContact CE-CD2 4.04Å; M114-L244 HydrophobicContact CE-CG 4.31Å; M114-L244 HydrophobicContact SD-CD1 4.11Å; M117-L244 HydrophobicContact CE-CD1 3.64Å; I236-L244 HydrophobicContact CD1-CB 4.48Å; I236-L244 HydrophobicContact CD1-CD2 4.32Å; I236-L244 HydrophobicContact CD1-CG 3.94Å; Y240-L244 HydrophobicContact CD1-CD2 4.23Å; Y240-L244 HydrophobicContact CG-CD2 4.46Å; S241-L244 PolarHBondContact O-N 3.24Å; S241-L244 VanDerWaalsContact OG-CB 3.27Å; S241-L244 WeakPolarHBondContact OG-CB 3.48Å; S241-L244 PolarHBondContact OG-N 2.91Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.23Å; L244-L247 PolarHBondContact O-N 3.45Å; L244-L248 HydrophobicContact CD1-CD1 4.06Å; L244-L248 HydrophobicContact CD1-CD2 4.49Å; L244-L248 HydrophobicContact CD1-CG 3.98Å; L244-L248 HydrophobicContact CG-CD1 4.3Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.89Å; L244-L270 HydrophobicContact CB-CD2 4.18Å; L244-L270 HydrophobicContact CD1-CD2 4.37Å
245N98.3Very high97.8Very high15 Ų1554.3 Ų54.38%0.0825%0.249CC..Hα-helixtrans-56.6-43.1177.6178.864.8000112.1R235 I236 S241 E242 L248 S249R235-N245 WeakPolarHBondContact CG-OD1 3.27Å; I236-N245 HydrophobicContact CD1-CB 3.85Å; I236-N245 HydrophobicContact CG1-CB 3.89Å; S241-N245 PolarHBondContact O-N 2.75Å; E242-N245 PolarHBondContact O-N 3.4Å; E242-N245 PolarHBondContact OE1-ND2 2.64Å; N245-L248 PolarHBondContact O-N 3Å; N245-S249 WeakPolarHBondContact O-CB 3.38Å; N245-S249 PolarHBondContact O-N 3.47Å; N245-S249 PolarHBondContact O-OG 3.34Å
246T97.9Very high97.6Very high60 Ų6053.4 Ų53.437%0.36825%0.249SC..Hα-helixtrans-65.7-40.6178.9-63.80000111.7E242 E243 L244 R250E242-T246 VanDerWaalsContact O-CB 3.23Å; E242-T246 WeakPolarHBondContact O-CB 3.39Å; E242-T246 PolarHBondContact O-N 3.37Å; E242-T246 PolarHBondContact O-OG1 3.43Å; E243-T246 PolarHBondContact O-N 3.07Å; L244-T246 VanDerWaalsContact C-N 3.27Å; L244-T246 PolarHBondContact O-N 3.23Å; T246-R250 WeakPolarHBondContact O-CG 3.39Å; T246-R250 PolarHBondContact O-N 2.73Å; T246-R250 VanDerWaalsContact O-N 3.13Å; T246-R250 PolarHBondContact O-NE 3.33Å
247L97.9Very high97.4Very high4 Ų460.4 Ų60.42%0.02128%0.276CS..Hα-helixtrans-66.2-46.4175.9-177.256.3000111.7M117 E243 L244 S249 R250 M251 P260 I265 L270M117-L247 HydrophobicContact CE-CD2 3.97Å; M117-L247 HydrophobicContact CE-CG 4.46Å; M117-L247 HydrophobicContact SD-CD2 3.58Å; M117-L247 VanDerWaalsContact SD-CD2 3.58Å; E243-L247 PolarHBondContact O-N 2.92Å; L244-L247 PolarHBondContact O-N 3.45Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.88Å; L247-R250 WeakPolarHBondContact O-CB 3.37Å; L247-R250 PolarHBondContact O-N 3.14Å; L247-R250 VanDerWaalsContact O-N 3.13Å; L247-M251 HydrophobicContact CG-SD 4.37Å; L247-M251 WeakPolarHBondContact O-CG 3.23Å; L247-M251 PolarHBondContact O-N 3.28Å; L247-P260 HydrophobicContact CD1-CG 4.32Å; L247-I265 HydrophobicContact CD1-CG1 4.45Å; L247-L270 HydrophobicContact CD2-CD2 4.36Å
248L98.1Very high97.4Very high1 Ų163.3 Ų63.31%0.00529%0.29CS..Hα-helixtrans-60.9-39.7176.5-67179.8000111.9M117 L206 I236 L244 N245 R250 M251 L252M117-L248 HydrophobicContact CE-CD2 3.93Å; L206-L248 HydrophobicContact CB-CD2 3.51Å; L206-L248 HydrophobicContact CD1-CD2 4.19Å; I236-L248 HydrophobicContact CD1-CD1 4.18Å; I236-L248 HydrophobicContact CG2-CD1 3.92Å; L244-L248 HydrophobicContact CD1-CD1 4.06Å; L244-L248 HydrophobicContact CD1-CD2 4.49Å; L244-L248 HydrophobicContact CD1-CG 3.98Å; L244-L248 HydrophobicContact CG-CD1 4.3Å; L244-L248 WeakPolarHBondContact O-CG 3.31Å; L244-L248 PolarHBondContact O-N 2.89Å; N245-L248 PolarHBondContact O-N 3Å; L248-R250 VanDerWaalsContact C-N 3.29Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-M251 HydrophobicContact CD2-SD 4.24Å; L248-M251 PolarHBondContact O-N 3.37Å; L248-M251 VanDerWaalsContact O-N 3.15Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.35Å
249S98.1Very high97.4Very high43 Ų4354 Ų5430%0.30125%0.253SS..Hα-helixtrans-62.8-36176.5-59.30000112.5N245 L247 H253N245-S249 WeakPolarHBondContact O-CB 3.38Å; N245-S249 PolarHBondContact O-N 3.47Å; N245-S249 PolarHBondContact O-OG 3.34Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.88Å; S249-H253 PolarHBondContact O-N 3.49Å
250R98.1Very high97.3Very high119 Ų11948.9 Ų48.945%0.44924%0.235SC..Hα-helixtrans-69.8-37.2172.9-72.5-179.8-74.8173.3-4.4112.6T246 L247 L248 L252 H253 P260T246-R250 WeakPolarHBondContact O-CG 3.39Å; T246-R250 PolarHBondContact O-N 2.73Å; T246-R250 VanDerWaalsContact O-N 3.13Å; T246-R250 PolarHBondContact O-NE 3.33Å; L247-R250 WeakPolarHBondContact O-CB 3.37Å; L247-R250 PolarHBondContact O-N 3.14Å; L247-R250 VanDerWaalsContact O-N 3.13Å; L248-R250 VanDerWaalsContact C-N 3.29Å; L248-R250 PolarHBondContact O-N 2.9Å; R250-L252 VanDerWaalsContact C-N 3.33Å; R250-H253 WeakPolarHBondContact O-CB 3.41Å; R250-H253 PolarHBondContact O-N 3.24Å; R250-P260 WeakPolarHBondContact O-CD 3.45Å
251M98.4Very high97.2Very high0 Ų050.6 Ų50.60%025%0.248CC..Hα-helixtrans-66.9-35176-65.317475.800112.3I199 L202 L206 L247 L248 H253 R259 P260 I265I199-M251 HydrophobicContact CG2-CB 4.1Å; I199-M251 HydrophobicContact CG2-CE 4.09Å; I199-M251 HydrophobicContact CG2-CG 3.99Å; L202-M251 HydrophobicContact CB-CE 3.91Å; L202-M251 HydrophobicContact CD2-CE 3.65Å; L202-M251 HydrophobicContact CG-CE 3.63Å; L206-M251 HydrophobicContact CD1-CE 4.11Å; L206-M251 HydrophobicContact CD1-SD 4.38Å; L247-M251 HydrophobicContact CG-SD 4.37Å; L247-M251 WeakPolarHBondContact O-CG 3.23Å; L247-M251 PolarHBondContact O-N 3.28Å; L248-M251 HydrophobicContact CD2-SD 4.24Å; L248-M251 PolarHBondContact O-N 3.37Å; L248-M251 VanDerWaalsContact O-N 3.15Å; M251-H253 VanDerWaalsContact C-N 3.26Å; M251-H253 PolarHBondContact O-N 2.71Å; M251-R259 WeakPolarHBondContact O-CD 3.32Å; M251-R259 WeakPolarHBondContact O-CG 3.48Å; M251-P260 HydrophobicContact CG-CG 3.93Å; M251-I265 HydrophobicContact CE-CD1 3.95Å; M251-I265 HydrophobicContact CG-CD1 4.41Å; M251-I265 HydrophobicContact SD-CD1 4.29Å
252L98.2Very high97.1Very high4 Ų449.5 Ų49.52%0.02124%0.24CC..THydrogen-bonded Turntrans-89.823.5177.8-64177.8000113.2W200 C204 Y207 P215 F233 L248 R250W200-L252 HydrophobicContact CD2-CD2 4.15Å; W200-L252 HydrophobicContact CE3-CD2 4.36Å; W200-L252 VanDerWaalsContact CZ3-C 3.48Å; W200-L252 HydrophobicContact CZ3-CB 4.48Å; W200-L252 WeakPolarHBondContact CZ3-O 3.44Å; C204-L252 VanDerWaalsContact SG-CD2 3.57Å; Y207-L252 HydrophobicContact CD2-CD1 4.28Å; P215-L252 HydrophobicContact CB-CD1 4.06Å; P215-L252 HydrophobicContact CG-CD1 4.11Å; F233-L252 HydrophobicContact CD1-CD1 4.42Å; F233-L252 HydrophobicContact CD2-CD1 4.32Å; F233-L252 HydrophobicContact CE1-CB 3.74Å; F233-L252 HydrophobicContact CE1-CD1 4.09Å; F233-L252 HydrophobicContact CE2-CD1 3.99Å; F233-L252 HydrophobicContact CZ-CB 3.85Å; F233-L252 HydrophobicContact CZ-CD1 3.88Å; L248-L252 WeakPolarHBondContact O-CG 3.47Å; L248-L252 PolarHBondContact O-N 3.35Å; R250-L252 VanDerWaalsContact C-N 3.33Å
253H98Very high96.9Very high70 Ų7049.1 Ų49.132%0.32424%0.239SC..  trans-72.3134.9176.2-165-75.5000110.9S249 R250 M251 K255 L258 R259S249-H253 PolarHBondContact O-N 3.49Å; R250-H253 WeakPolarHBondContact O-CB 3.41Å; R250-H253 PolarHBondContact O-N 3.24Å; M251-H253 VanDerWaalsContact C-N 3.26Å; M251-H253 PolarHBondContact O-N 2.71Å; H253-K255 VanDerWaalsContact C-N 3.33Å; H253-K255 PolarHBondContact ND1-N 3.27Å; H253-K255 VanDerWaalsContact ND1-N 3.12Å; H253-K255 PolarHBondContact ND1-O 3.28Å; H253-K255 PolarHBondContact O-N 3.43Å; H253-L258 HydrophobicContact CB-CB 4.4Å; H253-L258 WeakPolarHBondContact CE1-CD1 3.27Å; H253-R259 HydrophobicContact CB-CG 4.2Å; H253-R259 PolarHBondContact O-NE 2.82Å; H253-R259 PolarHBondContact O-NH2 3.38Å
254L96Very high96.9Very high66 Ų6646.4 Ų46.435%0.34623%0.232SC..SBendtrans-54.4-48.5-178.2-73.4178.1000112.4P185 W200 I228 R229 R259P185-L254 HydrophobicContact CG-CD2 3.92Å; W200-L254 HydrophobicContact CH2-CD2 4.48Å; I228-L254 WeakPolarHBondContact O-CD2 3.39Å; R229-L254 WeakPolarHBondContact O-CD1 3.45Å; L254-R259 PolarHBondContact O-NH2 2.58Å
255K94.9Very high96.8Very high107 Ų10746.4 Ų46.447%0.46523%0.232SC..SBendtrans-78.9120.8177-47.3-164.7-168.9173.60110.6H253 Y257 L258H253-K255 VanDerWaalsContact C-N 3.33Å; H253-K255 PolarHBondContact ND1-N 3.27Å; H253-K255 VanDerWaalsContact ND1-N 3.12Å; H253-K255 PolarHBondContact ND1-O 3.28Å; H253-K255 PolarHBondContact O-N 3.43Å; K255-Y257 HydrophobicContact CB-CD1 4.2Å; K255-Y257 HydrophobicContact CB-CE1 3.84Å; K255-Y257 HydrophobicContact CB-CE2 4.24Å; K255-Y257 HydrophobicContact CD-CE1 3.95Å; K255-Y257 HydrophobicContact CD-CE2 4.04Å; K255-Y257 WeakPolarHBondContact CD-OH 3.21Å; K255-Y257 HydrophobicContact CG-CE1 4.44Å; K255-Y257 PolarHBondContact NZ-OH 3.18Å; K255-Y257 PolarHBondContact O-N 3.34Å; K255-L258 HydrophobicContact CB-CB 4.48Å; K255-L258 HydrophobicContact CB-CD1 4.11Å; K255-L258 HydrophobicContact CB-CG 4.32Å; K255-L258 HydrophobicContact CD-CD1 4.17Å; K255-L258 HydrophobicContact CG-CD1 4.42Å; K255-L258 PolarHBondContact O-N 3.3Å; K255-L258 VanDerWaalsContact O-N 3.14Å
256D94.6Very high96.6Very high44 Ų4446.3 Ų46.324%0.23523%0.231CC..G310 helixtrans-60.3-38-176.965.1-18.9000114.1N194 K196 L258 R259N194-D256 PolarHBondContact ND2-OD2 3.33Å; K196-D256 HydrophobicContact CB-CB 3.87Å; K196-D256 WeakPolarHBondContact CG-O 3.37Å; K196-D256 PolarHBondContact NZ-O 3.46Å; D256-L258 PolarHBondContact O-N 2.95Å; D256-R259 WeakPolarHBondContact O-CB 3.37Å; D256-R259 PolarHBondContact O-N 3.2Å; D256-R259 VanDerWaalsContact O-N 3.1Å
257Y94.4Very high96.4Very high149 Ų14950.8 Ų50.858%0.58425%0.248SC*.G310 helixtrans-68-20.1177.357.3-98.1000113.6K255K255-Y257 HydrophobicContact CB-CD1 4.2Å; K255-Y257 HydrophobicContact CB-CE1 3.84Å; K255-Y257 HydrophobicContact CB-CE2 4.24Å; K255-Y257 HydrophobicContact CD-CE1 3.95Å; K255-Y257 HydrophobicContact CD-CE2 4.04Å; K255-Y257 WeakPolarHBondContact CD-OH 3.21Å; K255-Y257 HydrophobicContact CG-CE1 4.44Å; K255-Y257 PolarHBondContact NZ-OH 3.18Å; K255-Y257 PolarHBondContact O-N 3.34Å
258L96.8Very high96.2Very high87 Ų8751.6 Ų51.646%0.45525%0.254SS..G310 helixtrans-87.6-11173.8-67.9175.5000113H253 K255 D256H253-L258 HydrophobicContact CB-CB 4.4Å; H253-L258 WeakPolarHBondContact CE1-CD1 3.27Å; K255-L258 HydrophobicContact CB-CB 4.48Å; K255-L258 HydrophobicContact CB-CD1 4.11Å; K255-L258 HydrophobicContact CB-CG 4.32Å; K255-L258 HydrophobicContact CD-CD1 4.17Å; K255-L258 HydrophobicContact CG-CD1 4.42Å; K255-L258 PolarHBondContact O-N 3.3Å; K255-L258 VanDerWaalsContact O-N 3.14Å; D256-L258 PolarHBondContact O-N 2.95Å
259R98.1Very high95.9Very high3 Ų356.9 Ų56.91%0.01129%0.291CS..SBendtrans-71.8139.1172-55.6177-161.5147.39.3109.3E186 K196 I199 M251 H253 L254 D256E186-R259 IonicContact OE1-CZ 2.72Å; E186-R259 IonicContact OE1-NH1 3.16Å; E186-R259 PolarHBondContact OE1-NH1 3.31Å; E186-R259 IonicContact OE1-NH2 2.85Å; E186-R259 IonicContact OE2-CZ 3.66Å; E186-R259 IonicContact OE2-NH1 2.73Å; E186-R259 PolarHBondContact OE2-NH1 3.08Å; E186-R259 IonicContact OE2-NH2 2.8Å; E186-R259 PolarHBondContact OE2-NH2 2.99Å; K196-R259 HydrophobicContact CD-CB 4.46Å; K196-R259 PolarHBondContact NZ-O 3.34Å; K196-R259 WeakPolarHBondContact O-CD 3.35Å; K196-R259 PolarHBondContact O-NH1 3.38Å; I199-R259 HydrophobicContact CG2-CB 4.1Å; M251-R259 WeakPolarHBondContact O-CD 3.32Å; M251-R259 WeakPolarHBondContact O-CG 3.48Å; H253-R259 HydrophobicContact CB-CG 4.2Å; H253-R259 PolarHBondContact O-NE 2.82Å; H253-R259 PolarHBondContact O-NH2 3.38Å; L254-R259 PolarHBondContact O-NH2 2.58Å; D256-R259 WeakPolarHBondContact O-CB 3.37Å; D256-R259 PolarHBondContact O-N 3.2Å; D256-R259 VanDerWaalsContact O-N 3.1Å
260P97.5Very high95.5Very high14 Ų1457 Ų579%0.09129%0.288CS..PPolyproline II helixtrans-64147.9179.128.8-35000110.6L247 R250 M251 I265L247-P260 HydrophobicContact CD1-CG 4.32Å; R250-P260 WeakPolarHBondContact O-CD 3.45Å; M251-P260 HydrophobicContact CG-CG 3.93Å; P260-I265 HydrophobicContact CB-CG1 3.92Å; P260-I265 HydrophobicContact CG-CD1 4.08Å; P260-I265 HydrophobicContact CG-CG1 3.77Å
261S95.9Very high95.3Very high40 Ų4051.3 Ų51.328%0.2827%0.267SS..PPolyproline II helixtrans-74.3167170.5800000111E263 S264 I265S261-E263 VanDerWaalsContact CB-OE2 3.31Å; S261-E263 WeakPolarHBondContact CB-OE2 3.37Å; S261-E263 PolarHBondContact O-N 3.19Å; S261-E263 PolarHBondContact OG-N 3.36Å; S261-E263 PolarHBondContact OG-OE2 3.43Å; S261-S264 PolarHBondContact O-N 2.85Å; S261-S264 VanDerWaalsContact O-N 3.16Å; S261-S264 PolarHBondContact OG-N 2.93Å; S261-I265 WeakPolarHBondContact O-CG1 3.48Å; S261-I265 PolarHBondContact O-N 3.44Å
262V95.3Very high94.8Very high7 Ų753.4 Ų53.44%0.04228%0.284CS..Hα-helixtrans-57.2-37.8173.5-64.60000111.6T121 L124 K125 I199 L266T121-V262 HydrophobicContact CG2-CB 3.95Å; T121-V262 HydrophobicContact CG2-CG1 4.24Å; L124-V262 HydrophobicContact CB-CG1 4.18Å; K125-V262 HydrophobicContact CB-CB 4.27Å; K125-V262 HydrophobicContact CB-CG2 4.02Å; K125-V262 HydrophobicContact CG-CG2 4.2Å; I199-V262 HydrophobicContact CD1-CG1 3.79Å; V262-L266 WeakPolarHBondContact O-CD1 3.21Å; V262-L266 WeakPolarHBondContact O-CG 3.29Å; V262-L266 PolarHBondContact O-N 3.14Å; V262-L266 VanDerWaalsContact O-N 3.1Å
263E94.4Very high94.3Very high86 Ų8659.3 Ų59.340%0.40232%0.315SS..Hα-helixtrans-63.7-46.8175.7-61.672-155.600111.5S261 I265 L266 Q267S261-E263 VanDerWaalsContact CB-OE2 3.31Å; S261-E263 WeakPolarHBondContact CB-OE2 3.37Å; S261-E263 PolarHBondContact O-N 3.19Å; S261-E263 PolarHBondContact OG-N 3.36Å; S261-E263 PolarHBondContact OG-OE2 3.43Å; E263-I265 VanDerWaalsContact C-N 3.33Å; E263-I265 PolarHBondContact O-N 2.77Å; E263-L266 PolarHBondContact O-N 3.37Å; E263-Q267 WeakPolarHBondContact O-CB 3.49Å; E263-Q267 VanDerWaalsContact O-CG 3.29Å; E263-Q267 WeakPolarHBondContact O-CG 3.3Å; E263-Q267 PolarHBondContact O-N 2.93Å
264S95.5Very high94Very high56 Ų5658 Ų5839%0.39231%0.311SS..Hα-helixtrans-62.6-39.1-179.8177.50000112.2S261 S268S261-S264 PolarHBondContact O-N 2.85Å; S261-S264 VanDerWaalsContact O-N 3.16Å; S261-S264 PolarHBondContact OG-N 2.93Å; S264-S268 PolarHBondContact O-N 3.34Å
265I96.6Very high93.7Very high0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-64-49.5175.5-65.8167.4000110.3M117 T121 I199 L247 M251 P260 S261 E263 Q267 S268 L271M117-I265 HydrophobicContact CG-CG2 4.45Å; M117-I265 HydrophobicContact SD-CG2 4.48Å; T121-I265 HydrophobicContact CG2-CB 4.01Å; T121-I265 HydrophobicContact CG2-CD1 4.46Å; T121-I265 HydrophobicContact CG2-CG2 3.9Å; I199-I265 HydrophobicContact CD1-CD1 3.93Å; I199-I265 HydrophobicContact CG2-CD1 4.25Å; L247-I265 HydrophobicContact CD1-CG1 4.45Å; M251-I265 HydrophobicContact CE-CD1 3.95Å; M251-I265 HydrophobicContact CG-CD1 4.41Å; M251-I265 HydrophobicContact SD-CD1 4.29Å; P260-I265 HydrophobicContact CB-CG1 3.92Å; P260-I265 HydrophobicContact CG-CD1 4.08Å; P260-I265 HydrophobicContact CG-CG1 3.77Å; S261-I265 WeakPolarHBondContact O-CG1 3.48Å; S261-I265 PolarHBondContact O-N 3.44Å; E263-I265 VanDerWaalsContact C-N 3.33Å; E263-I265 PolarHBondContact O-N 2.77Å; I265-Q267 PolarHBondContact O-N 3.45Å; I265-S268 VanDerWaalsContact O-CB 3.28Å; I265-S268 WeakPolarHBondContact O-CB 3.4Å; I265-S268 PolarHBondContact O-N 3.27Å; I265-S268 VanDerWaalsContact O-N 3.08Å; I265-S268 PolarHBondContact O-OG 3.48Å; I265-L271 HydrophobicContact CG2-CD1 3.71Å
266L94.6Very high93.5Very high13 Ų1352.1 Ų52.17%0.06829%0.29CS..Hα-helixtrans-65.9-25-177.8-67.4169.8000113.5T121 L122 K125 V262 E263 V275T121-L266 HydrophobicContact CG2-CD1 4.15Å; T121-L266 HydrophobicContact CG2-CD2 3.82Å; T121-L266 HydrophobicContact CG2-CG 3.63Å; L122-L266 HydrophobicContact CD2-CD1 4.03Å; L122-L266 HydrophobicContact CD2-CD2 4.06Å; L122-L266 HydrophobicContact CG-CD2 3.91Å; K125-L266 HydrophobicContact CB-CD1 4.37Å; K125-L266 HydrophobicContact CD-CD1 3.63Å; V262-L266 WeakPolarHBondContact O-CD1 3.21Å; V262-L266 WeakPolarHBondContact O-CG 3.29Å; V262-L266 PolarHBondContact O-N 3.14Å; V262-L266 VanDerWaalsContact O-N 3.1Å; E263-L266 PolarHBondContact O-N 3.37Å; L266-V275 HydrophobicContact CB-CG2 4.42Å; L266-V275 HydrophobicContact CD2-CG1 4.21Å; L266-V275 HydrophobicContact CD2-CG2 3.55Å
267Q93.4Very high93.2Very high154 Ų15452.9 Ų52.972%0.7229%0.294SS*.THydrogen-bonded Turntrans-89.5-1.7176.5-70.6172.8-15.900113.3E263 I265E263-Q267 WeakPolarHBondContact O-CB 3.49Å; E263-Q267 VanDerWaalsContact O-CG 3.29Å; E263-Q267 WeakPolarHBondContact O-CG 3.3Å; E263-Q267 PolarHBondContact O-N 2.93Å; I265-Q267 PolarHBondContact O-N 3.45Å
268S93.4Very high92.9Very high21 Ų2146.4 Ų46.415%0.14727%0.269CS..SBendtrans-63143.4176.468.30000110.8S264 I265 L270 L271 A272S264-S268 PolarHBondContact O-N 3.34Å; I265-S268 VanDerWaalsContact O-CB 3.28Å; I265-S268 WeakPolarHBondContact O-CB 3.4Å; I265-S268 PolarHBondContact O-N 3.27Å; I265-S268 VanDerWaalsContact O-N 3.08Å; I265-S268 PolarHBondContact O-OG 3.48Å; S268-L270 PolarHBondContact O-N 2.98Å; S268-L270 VanDerWaalsContact O-N 3.11Å; S268-L271 PolarHBondContact O-N 3.46Å; S268-A272 PolarHBondContact O-N 2.94Å
269S91.3Very high92.4Very high112 Ų11246.1 Ų46.178%0.78327%0.268SS*.THydrogen-bonded Turntrans-55.8-28.8176.750.20000112.7L271S269-L271 VanDerWaalsContact C-N 3.31Å; S269-L271 PolarHBondContact O-N 2.92Å
270L90.7Very high91.9Very high44 Ų4452.7 Ų52.723%0.2329%0.293CS..THydrogen-bonded Turntrans-66-30.8177.3-169.965000113.2M114 E243 L244 L247 S268M114-L270 HydrophobicContact CG-CG 4.48Å; M114-L270 HydrophobicContact SD-CD1 4.23Å; M114-L270 HydrophobicContact SD-CD2 3.37Å; M114-L270 WeakPolarHBondContact SD-CD2 3.46Å; M114-L270 HydrophobicContact SD-CG 3.57Å; M114-L270 VanDerWaalsContact SD-CG 3.57Å; E243-L270 HydrophobicContact CB-CD1 4.37Å; L244-L270 HydrophobicContact CB-CD2 4.18Å; L244-L270 HydrophobicContact CD1-CD2 4.37Å; L247-L270 HydrophobicContact CD2-CD2 4.36Å; S268-L270 PolarHBondContact O-N 2.98Å; S268-L270 VanDerWaalsContact O-N 3.11Å
271L92.4Very high91.4Very high1 Ų157.5 Ų57.51%0.00531%0.309CS..THydrogen-bonded Turntrans-115.8-17-172.7-64.7-174.5000114.6M114 M117 A118 I265 S268 S269 D273 L274 V275M114-L271 HydrophobicContact CB-CD2 4.09Å; M114-L271 HydrophobicContact CG-CD2 4.47Å; M114-L271 HydrophobicContact SD-CD2 3.77Å; M117-L271 HydrophobicContact CB-CD2 4.45Å; M117-L271 HydrophobicContact CG-CD1 3.81Å; M117-L271 HydrophobicContact CG-CD2 4.47Å; M117-L271 HydrophobicContact SD-CD1 3.65Å; M117-L271 HydrophobicContact SD-CD2 4.08Å; M117-L271 HydrophobicContact SD-CG 4.15Å; A118-L271 HydrophobicContact CB-CD2 4.37Å; I265-L271 HydrophobicContact CG2-CD1 3.71Å; S268-L271 PolarHBondContact O-N 3.46Å; S269-L271 VanDerWaalsContact C-N 3.31Å; S269-L271 PolarHBondContact O-N 2.92Å; L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.49Å; L271-L274 HydrophobicContact CD2-CD1 4.33Å; L271-L274 PolarHBondContact O-N 3.05Å; L271-L274 VanDerWaalsContact O-N 3.08Å; L271-V275 HydrophobicContact CB-CG2 4.06Å; L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 VanDerWaalsContact O-CG2 3.29Å; L271-V275 WeakPolarHBondContact O-CG2 3.39Å; L271-V275 PolarHBondContact O-N 3.18Å
272A88Confident90.7Very high43 Ų4357 Ų5736%0.35531%0.308SS..Hα-helixtrans-51.6-46.3-169.200000113.3S268 V275 A276S268-A272 PolarHBondContact O-N 2.94Å; A272-V275 PolarHBondContact O-N 3.02Å; A272-A276 PolarHBondContact O-N 3.15Å
273D89.1Confident90.1Very high128 Ų12862.4 Ų62.468%0.68433%0.332SS*.Hα-helixtrans-68.9-44.1179.5-67.5-28.8000112.3L271 V275 A276 D277L271-D273 VanDerWaalsContact C-N 3.3Å; L271-D273 PolarHBondContact O-N 3.49Å; D273-V275 VanDerWaalsContact C-N 3.32Å; D273-V275 PolarHBondContact O-N 3.22Å; D273-A276 WeakPolarHBondContact O-CB 3.33Å; D273-A276 PolarHBondContact O-N 2.88Å; D273-D277 PolarHBondContact O-N 3.5Å
274L90.7Very high89.5Confident43 Ų4360.5 Ų60.523%0.22533%0.331CS..Hα-helixtrans-61.7-40.7176.6-71.1173000111.7M114 R115 L271 D277 E278M114-L274 HydrophobicContact CB-CD1 3.5Å; R115-L274 HydrophobicContact CG-CD2 4.31Å; L271-L274 HydrophobicContact CD2-CD1 4.33Å; L271-L274 PolarHBondContact O-N 3.05Å; L271-L274 VanDerWaalsContact O-N 3.08Å; L274-D277 PolarHBondContact O-N 3.22Å; L274-E278 WeakPolarHBondContact O-CG 3.35Å; L274-E278 PolarHBondContact O-N 3.26Å
275V90.3Very high88.6Confident13 Ų1362.4 Ų62.48%0.07933%0.33CS..Hα-helixtrans-65.2-43.6177171.90000110.3A118 L122 L266 L271 A272 D273 D277 E278 L279A118-V275 HydrophobicContact CB-CG2 4Å; L122-V275 HydrophobicContact CD2-CG1 4.33Å; L266-V275 HydrophobicContact CB-CG2 4.42Å; L266-V275 HydrophobicContact CD2-CG1 4.21Å; L266-V275 HydrophobicContact CD2-CG2 3.55Å; L271-V275 HydrophobicContact CB-CG2 4.06Å; L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 VanDerWaalsContact O-CG2 3.29Å; L271-V275 WeakPolarHBondContact O-CG2 3.39Å; L271-V275 PolarHBondContact O-N 3.18Å; A272-V275 PolarHBondContact O-N 3.02Å; D273-V275 VanDerWaalsContact C-N 3.32Å; D273-V275 PolarHBondContact O-N 3.22Å; V275-D277 VanDerWaalsContact C-N 3.31Å; V275-D277 PolarHBondContact O-N 2.96Å; V275-E278 PolarHBondContact O-N 3.44Å; V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.4Å; V275-L279 WeakPolarHBondContact O-CB 3.42Å; V275-L279 VanDerWaalsContact O-CG 3.27Å; V275-L279 WeakPolarHBondContact O-CG 3.46Å; V275-L279 PolarHBondContact O-N 3.35Å
276A89.7Confident87.6Confident36 Ų3669.2 Ų69.230%0.29836%0.361SS..Hα-helixtrans-60.1-42.5175.600000111.6A272 D273 L279 R280A272-A276 PolarHBondContact O-N 3.15Å; D273-A276 WeakPolarHBondContact O-CB 3.33Å; D273-A276 PolarHBondContact O-N 2.88Å; A276-L279 PolarHBondContact O-N 3.01Å; A276-R280 WeakPolarHBondContact O-CB 3.37Å; A276-R280 WeakPolarHBondContact O-CG 3.45Å; A276-R280 PolarHBondContact O-N 3.41Å
277D88.9Confident86.7Confident61 Ų6177.5 Ų77.533%0.32639%0.391SS..Hα-helixtrans-63.4-45.4175.2-87.5-25000113.3D273 L274 V275 L279 R280 R281D273-D277 PolarHBondContact O-N 3.5Å; L274-D277 PolarHBondContact O-N 3.22Å; V275-D277 VanDerWaalsContact C-N 3.31Å; V275-D277 PolarHBondContact O-N 2.96Å; D277-L279 VanDerWaalsContact C-N 3.35Å; D277-L279 PolarHBondContact O-N 2.9Å; D277-R280 PolarHBondContact O-N 3.4Å; D277-R280 IonicContact OD1-CZ 3.66Å; D277-R280 IonicContact OD1-NE 3.24Å; D277-R280 PolarHBondContact OD1-NE 3.15Å; D277-R280 IonicContact OD1-NH2 2.84Å; D277-R280 PolarHBondContact OD1-NH2 3.39Å; D277-R281 WeakPolarHBondContact O-CB 3.41Å; D277-R281 VanDerWaalsContact O-CG 3.22Å; D277-R281 WeakPolarHBondContact O-CG 3.45Å; D277-R281 PolarHBondContact O-N 3.07Å
278E88.1Confident85.7Confident12 Ų1279.8 Ų79.86%0.05639%0.393CS..Hα-helixtrans-65.2-38.7178.8-73-55.4139.200111.9Q119 L122 L274 V275 R281 A282Q119-E278 HydrophobicContact CG-CG 4.14Å; Q119-E278 PolarHBondContact NE2-OE1 3.14Å; Q119-E278 PolarHBondContact NE2-OE2 2.81Å; L122-E278 HydrophobicContact CD1-CB 4.1Å; L274-E278 WeakPolarHBondContact O-CG 3.35Å; L274-E278 PolarHBondContact O-N 3.26Å; V275-E278 PolarHBondContact O-N 3.44Å; E278-R281 PolarHBondContact O-N 2.84Å; E278-R281 IonicContact OE1-CZ 3.39Å; E278-R281 IonicContact OE1-NH1 2.81Å; E278-R281 PolarHBondContact OE1-NH1 3.39Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.46Å
279L87.1Confident84.3Confident82 Ų8287.5 Ų87.543%0.42942%0.419SS..Hα-helixtrans-64.7-43.4173.8-70173.6000112L122 V275 A276 D277 R281 A282 Q283L122-L279 HydrophobicContact CD2-CD2 4.11Å; V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.4Å; V275-L279 WeakPolarHBondContact O-CB 3.42Å; V275-L279 VanDerWaalsContact O-CG 3.27Å; V275-L279 WeakPolarHBondContact O-CG 3.46Å; V275-L279 PolarHBondContact O-N 3.35Å; A276-L279 PolarHBondContact O-N 3.01Å; D277-L279 VanDerWaalsContact C-N 3.35Å; D277-L279 PolarHBondContact O-N 2.9Å; L279-R281 PolarHBondContact O-N 2.99Å; L279-A282 PolarHBondContact O-N 3.3Å; L279-Q283 WeakPolarHBondContact O-CG 3.41Å; L279-Q283 PolarHBondContact O-N 3.49Å
280R88Confident82.8Confident141 Ų14186.7 Ų86.753%0.53241%0.414SS..Hα-helixtrans-58.8-46.2173.5-77.7-172.4-74.7-107.48.1111.4A276 D277 A282 Q283 A284A276-R280 WeakPolarHBondContact O-CB 3.37Å; A276-R280 WeakPolarHBondContact O-CG 3.45Å; A276-R280 PolarHBondContact O-N 3.41Å; D277-R280 PolarHBondContact O-N 3.4Å; D277-R280 IonicContact OD1-CZ 3.66Å; D277-R280 IonicContact OD1-NE 3.24Å; D277-R280 PolarHBondContact OD1-NE 3.15Å; D277-R280 IonicContact OD1-NH2 2.84Å; D277-R280 PolarHBondContact OD1-NH2 3.39Å; R280-A282 PolarHBondContact O-N 3.41Å; R280-Q283 PolarHBondContact O-N 2.71Å; R280-A284 PolarHBondContact O-N 3.32Å
281R85.1Confident81Confident114 Ų11488.2 Ų88.243%0.4343%0.433SS..Hα-helixtrans-61.8-42.7177.3-72.4168.2-179.5-166.2-1.3111.5D277 E278 L279 A284 R285D277-R281 WeakPolarHBondContact O-CB 3.41Å; D277-R281 VanDerWaalsContact O-CG 3.22Å; D277-R281 WeakPolarHBondContact O-CG 3.45Å; D277-R281 PolarHBondContact O-N 3.07Å; E278-R281 PolarHBondContact O-N 2.84Å; E278-R281 IonicContact OE1-CZ 3.39Å; E278-R281 IonicContact OE1-NH1 2.81Å; E278-R281 PolarHBondContact OE1-NH1 3.39Å; L279-R281 PolarHBondContact O-N 2.99Å; R281-A284 PolarHBondContact O-N 3.08Å; R281-R285 VanDerWaalsContact O-CG 3.28Å; R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.93Å
282A81.9Confident78.4Confident31 Ų3194.7 Ų94.726%0.25647%0.467SS..Hα-helixtrans-62.2-44.3177.600000111.8P65 E278 L279 R280 R285 H286P65-A282 HydrophobicContact CG-CB 4.19Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.46Å; L279-A282 PolarHBondContact O-N 3.3Å; R280-A282 PolarHBondContact O-N 3.41Å; A282-R285 PolarHBondContact O-N 3.47Å; A282-H286 PolarHBondContact O-N 3.14Å
283Q82.1Confident76.4Confident120 Ų12098.2 Ų98.256%0.56149%0.487SS*.Hα-helixtrans-62.6-44.1176.1-71.1173.8-2.900112.2L279 R280 R285 H286 R287L279-Q283 WeakPolarHBondContact O-CG 3.41Å; L279-Q283 PolarHBondContact O-N 3.49Å; R280-Q283 PolarHBondContact O-N 2.71Å; Q283-R285 VanDerWaalsContact C-N 3.35Å; Q283-R285 PolarHBondContact O-N 3.25Å; Q283-H286 WeakPolarHBondContact O-CB 3.22Å; Q283-H286 PolarHBondContact O-N 3.02Å; Q283-R287 WeakPolarHBondContact O-CG 3.39Å; Q283-R287 PolarHBondContact O-N 3.2Å
284A81.8Confident73.9Confident45 Ų4598.8 Ų98.837%0.37249%0.485SS..Hα-helixtrans-62.2-40.7176.700000112.3R280 R281 H286 R287 R288R280-A284 PolarHBondContact O-N 3.32Å; R281-A284 PolarHBondContact O-N 3.08Å; A284-H286 VanDerWaalsContact C-N 3.31Å; A284-H286 PolarHBondContact O-N 3.46Å; A284-R287 PolarHBondContact O-N 2.98Å; A284-R288 WeakPolarHBondContact O-CG 3.36Å; A284-R288 PolarHBondContact O-N 3.36Å
285R78.2Confident71.2Confident97 Ų97105.8 Ų105.837%0.36651%0.514SS..Hα-helixtrans-62.8-38.1174.4-70.5177.8-149.2-140.712.9111.7N154 R281 A282 Q283 R289N154-R285 PolarHBondContact ND2-NH2 2.97Å; R281-R285 VanDerWaalsContact O-CG 3.28Å; R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.93Å; A282-R285 PolarHBondContact O-N 3.47Å; Q283-R285 VanDerWaalsContact C-N 3.35Å; Q283-R285 PolarHBondContact O-N 3.25Å; R285-R289 PolarHBondContact O-N 3.45Å
286H74.9Confident68.5Low143 Ų143111.4 Ų111.466%0.66255%0.55SS**Hα-helixtrans-64.5-46.5176.4-164.960.7000111.3A282 Q283 A284 R288 R289 S290A282-H286 PolarHBondContact O-N 3.14Å; Q283-H286 WeakPolarHBondContact O-CB 3.22Å; Q283-H286 PolarHBondContact O-N 3.02Å; A284-H286 VanDerWaalsContact C-N 3.31Å; A284-H286 PolarHBondContact O-N 3.46Å; H286-R288 PolarHBondContact O-N 3.48Å; H286-R289 PolarHBondContact O-N 2.91Å; H286-S290 PolarHBondContact O-N 3.47Å; H286-S290 PolarHBondContact O-OG 2.95Å
287R74.7Confident65.8Low186 Ų186116.6 Ų116.670%0.70257%0.566SS**Hα-helixtrans-60.3-40177.1-71-178.9179.7-176.10.5113.4Q283 A284 S290 A291Q283-R287 WeakPolarHBondContact O-CG 3.39Å; Q283-R287 PolarHBondContact O-N 3.2Å; A284-R287 PolarHBondContact O-N 2.98Å; R287-S290 VanDerWaalsContact C-OG 3.31Å; R287-S290 WeakPolarHBondContact CA-OG 3.24Å; R287-S290 PolarHBondContact O-N 3.5Å; R287-S290 PolarHBondContact O-OG 3.38Å; R287-A291 WeakPolarHBondContact O-CB 3.44Å; R287-A291 PolarHBondContact O-N 3.39Å
288R73.2Confident63.2Low202 Ų202119.3 Ų119.376%0.76259%0.588SS**Hα-helixtrans-66.9-39.2177-72.6-178.3-177.3-177.51112.6A284 H286 S290 A291A284-R288 WeakPolarHBondContact O-CG 3.36Å; A284-R288 PolarHBondContact O-N 3.36Å; H286-R288 PolarHBondContact O-N 3.48Å; R288-S290 VanDerWaalsContact C-N 3.26Å; R288-S290 PolarHBondContact O-N 2.92Å; R288-A291 PolarHBondContact O-N 2.99Å; R288-A291 VanDerWaalsContact O-N 3.08Å
289R64.1Low60.7Low183 Ų183123.8 Ų123.869%0.69163%0.626SS**Hα-helixtrans-66-28.5176.1-79.5-179.2172.1176.6-1.1113.2R285 H286 A291R285-R289 PolarHBondContact O-N 3.45Å; H286-R289 PolarHBondContact O-N 2.91Å; R289-A291 VanDerWaalsContact C-N 3.32Å
290S59.6Low58.3Low96 Ų96128.9 Ų128.967%0.67165%0.648SS**THydrogen-bonded Turntrans-82.3-6.4172.847.50000114H286 R287 R288H286-S290 PolarHBondContact O-N 3.47Å; H286-S290 PolarHBondContact O-OG 2.95Å; R287-S290 VanDerWaalsContact C-OG 3.31Å; R287-S290 WeakPolarHBondContact CA-OG 3.24Å; R287-S290 PolarHBondContact O-N 3.5Å; R287-S290 PolarHBondContact O-OG 3.38Å; R288-S290 VanDerWaalsContact C-N 3.26Å; R288-S290 PolarHBondContact O-N 2.92Å
291A52.5Low55.8Low76 Ų76126 Ų12663%0.62865%0.65SS**  trans-115.210.5-17300000114.1R287 R288 R289R287-A291 WeakPolarHBondContact O-CB 3.44Å; R287-A291 PolarHBondContact O-N 3.39Å; R288-A291 PolarHBondContact O-N 2.99Å; R288-A291 VanDerWaalsContact O-N 3.08Å; R289-A291 VanDerWaalsContact C-N 3.32Å
292D38.6Very low53.9Low136 Ų136126.7 Ų126.773%0.72767%0.671SS**SBendtrans-71.5133.2174.5-140.36.5000109.5E294D292-E294 PolarHBondContact O-N 2.91Å; D292-E294 VanDerWaalsContact O-N 3.09Å
293P45.2Very low51.7Low117 Ų117130.3 Ų130.376%0.7669%0.69SS**  trans-75103.3-175.128.9-30.2000110K295P293-K295 PolarHBondContact O-N 3.49Å
294E37.7Very low50.1Low140 Ų140130.7 Ų130.765%0.65470%0.701SS**  trans-59.3133.6164.4-89.2-178.6145.500109.9D292 K297D292-E294 PolarHBondContact O-N 2.91Å; D292-E294 VanDerWaalsContact O-N 3.09Å; E294-K297 IonicContact OE1-NZ 3.35Å; E294-K297 WeakPolarHBondContact OE2-CE 3.32Å; E294-K297 IonicContact OE2-NZ 3.48Å; E294-K297 PolarHBondContact OE2-NZ 3.2Å
295K33.8Very low48.6Very low191 Ų191132.6 Ų132.683%0.8371%0.71SS**SBendtrans-35.9148.6156.4-80.7174.4174.7177.20111.4P293 K297P293-K295 PolarHBondContact O-N 3.49Å; K295-K297 PolarHBondContact O-N 3.06Å
296P33.8Very low48Very low130 Ų130133 Ų13384%0.84472%0.723SS**  trans-56.4110.7-167.223-33000111.1
297K33Very low47.4Very low145 Ų145131.9 Ų131.963%0.6372%0.721SS**  trans-67.7141.8155.3-79.8172.3169.7162.10107.4E294 K295 A299E294-K297 IonicContact OE1-NZ 3.35Å; E294-K297 WeakPolarHBondContact OE2-CE 3.32Å; E294-K297 IonicContact OE2-NZ 3.48Å; E294-K297 PolarHBondContact OE2-NZ 3.2Å; K295-K297 PolarHBondContact O-N 3.06Å; K297-A299 PolarHBondContact O-N 3.34Å
298P34.3Very low46.8Very low119 Ų119126.5 Ų126.577%0.77372%0.716SS**  trans-56.9135.5172.3-2.613.4000107.9E300P298-E300 PolarHBondContact O-N 3.26Å
299A36Very low46.5Very low105 Ų105119.2 Ų119.287%0.86870%0.7SS**  trans-46.8104.6-171.800000112.7K297 S301K297-A299 PolarHBondContact O-N 3.34Å; A299-S301 PolarHBondContact O-N 3.42Å
300E36Very low46.6Very low190 Ų190115 Ų11589%0.88869%0.69SS**  trans-85.897.9161.6-80.9-175.2173.500107.4P298P298-E300 PolarHBondContact O-N 3.26Å
301S35.7Very low47.2Very low81 Ų81118.2 Ų118.257%0.56669%0.688SS**  trans-45.1137.7160.454.50000110.2A299 T303A299-S301 PolarHBondContact O-N 3.42Å; S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 3Å; S301-T303 PolarHBondContact O-OG1 2.9Å
302S43.9Very low48.4Very low127 Ų127119.9 Ų119.989%0.88869%0.685SS**  trans-51.591.4160.953.30000110.8
303T37.7Very low50.1Low107 Ų107120.2 Ų120.266%0.65668%0.68SS**  trans-113113.216724.40000107.8S301S301-T303 VanDerWaalsContact C-N 3.29Å; S301-T303 PolarHBondContact O-N 3Å; S301-T303 PolarHBondContact O-OG1 2.9Å
304T46.7Very low51.8Low129 Ų129119.1 Ų119.179%0.79167%0.665SS**  trans-43.2130.2155.534.90000108.5T306T304-T306 PolarHBondContact O-N 2.93Å
305P50.5Low53.8Low85 Ų85118.5 Ų118.555%0.55266%0.662SS**  trans-60.9119.9-175.222.3-31.3000109L310P305-L310 HydrophobicContact CB-CD2 4.34Å; P305-L310 HydrophobicContact CB-CG 4.25Å; P305-L310 HydrophobicContact CG-CD1 4.46Å; P305-L310 HydrophobicContact CG-CD2 4.24Å; P305-L310 HydrophobicContact CG-CG 4.39Å
306T65.4Low56.2Low105 Ų105113.8 Ų113.864%0.64465%0.649SS**  trans-57.2144.9177.5-2.60000109.5T304 A308 A309 L310T304-T306 PolarHBondContact O-N 2.93Å; T306-A308 PolarHBondContact O-N 3.2Å; T306-A309 WeakPolarHBondContact O-CB 3.41Å; T306-A309 PolarHBondContact O-N 3.4Å; T306-L310 PolarHBondContact O-N 3.02Å
307I63.1Low58.2Low119 Ų119112 Ų11261%0.6163%0.632SS**Hα-helixtrans-50.1-30.7-178.7-66.6170.8000112.3R311I307-R311 WeakPolarHBondContact O-CG 3.46Å; I307-R311 PolarHBondContact O-N 3.44Å
308A63.1Low60.6Low73 Ų73112.6 Ų112.660%0.60363%0.63SS**Hα-helixtrans-66.4-39.817500000114.1T306 R311 L312T306-A308 PolarHBondContact O-N 3.2Å; A308-R311 PolarHBondContact O-N 3.42Å; A308-L312 PolarHBondContact O-N 2.96Å
309A66.9Low63Low50 Ų50113.7 Ų113.741%0.41363%0.625SS.*Hα-helixtrans-69.9-35.6178.300000111.7T306 K313T306-A309 WeakPolarHBondContact O-CB 3.41Å; T306-A309 PolarHBondContact O-N 3.4Å; A309-K313 WeakPolarHBondContact O-CB 3.43Å; A309-K313 PolarHBondContact O-N 2.91Å
310L64.1Low65.3Low93 Ų93116.9 Ų116.949%0.48761%0.614SS.*Hα-helixtrans-66.7-42172.9-68.5173.8000111.6P305 T306 L312 K313 E314P305-L310 HydrophobicContact CB-CD2 4.34Å; P305-L310 HydrophobicContact CB-CG 4.25Å; P305-L310 HydrophobicContact CG-CD1 4.46Å; P305-L310 HydrophobicContact CG-CD2 4.24Å; P305-L310 HydrophobicContact CG-CG 4.39Å; T306-L310 PolarHBondContact O-N 3.02Å; L310-L312 PolarHBondContact O-N 3.46Å; L310-K313 PolarHBondContact O-N 2.88Å; L310-E314 WeakPolarHBondContact O-CB 3.47Å; L310-E314 PolarHBondContact O-N 3.48Å
311R73.8Confident67.5Low165 Ų165114.1 Ų114.162%0.62360%0.602SS**Hα-helixtrans-62.6-40.8175.2-77.9178.8178.61750.6112.9I307 A308 E314 Q315I307-R311 WeakPolarHBondContact O-CG 3.46Å; I307-R311 PolarHBondContact O-N 3.44Å; A308-R311 PolarHBondContact O-N 3.42Å; R311-E314 PolarHBondContact O-N 3.42Å; R311-Q315 WeakPolarHBondContact O-CG 3.45Å; R311-Q315 PolarHBondContact O-N 3.3Å
312L77.6Confident69.9Low111 Ų111116.9 Ų116.958%0.58160%0.603SS**Hα-helixtrans-65.3-41.7176.2-17169.2000111.2A308 L310 E314 Q315 V316A308-L312 PolarHBondContact O-N 2.96Å; L310-L312 PolarHBondContact O-N 3.46Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-E314 PolarHBondContact O-N 2.93Å; L312-Q315 PolarHBondContact O-N 2.89Å; L312-V316 WeakPolarHBondContact O-CG2 3.35Å; L312-V316 PolarHBondContact O-N 2.89Å
313K74.4Confident71.9Confident142 Ų142112.9 Ų112.962%0.61758%0.578SS**Hα-helixtrans-64.7-38.4176.4-162173.1-175.7177.80111.9A309 L310 V316 L317A309-K313 WeakPolarHBondContact O-CB 3.43Å; A309-K313 PolarHBondContact O-N 2.91Å; L310-K313 PolarHBondContact O-N 2.88Å; K313-V316 PolarHBondContact O-N 3.31Å; K313-L317 WeakPolarHBondContact O-CB 3.2Å; K313-L317 VanDerWaalsContact O-CG 3.3Å; K313-L317 WeakPolarHBondContact O-CG 3.4Å; K313-L317 PolarHBondContact O-N 2.83Å
314E79.4Confident73.8Confident94 Ų94112.3 Ų112.344%0.43957%0.57SS.*Hα-helixtrans-64.6-42.6173.9-167-175.3169.600111.7L310 R311 L312 V316 L317 R318L310-E314 WeakPolarHBondContact O-CB 3.47Å; L310-E314 PolarHBondContact O-N 3.48Å; R311-E314 PolarHBondContact O-N 3.42Å; L312-E314 VanDerWaalsContact C-N 3.33Å; L312-E314 PolarHBondContact O-N 2.93Å; E314-V316 PolarHBondContact O-N 3.06Å; E314-L317 PolarHBondContact O-N 3.45Å; E314-R318 WeakPolarHBondContact O-CG 3.19Å; E314-R318 PolarHBondContact O-N 3.42Å; E314-R318 IonicContact OE1-CZ 2.91Å; E314-R318 IonicContact OE1-NE 3.09Å; E314-R318 PolarHBondContact OE1-NE 3.15Å; E314-R318 IonicContact OE1-NH2 2.79Å; E314-R318 PolarHBondContact OE1-NH2 3.09Å
315Q81Confident75.7Confident128 Ų128112.4 Ų112.460%0.59856%0.56SS**Hα-helixtrans-62.4-41.8174.8-76.2177.8-9.700112.3R311 L312 R318 H319R311-Q315 WeakPolarHBondContact O-CG 3.45Å; R311-Q315 PolarHBondContact O-N 3.3Å; L312-Q315 PolarHBondContact O-N 2.89Å; Q315-R318 PolarHBondContact O-N 3.45Å; Q315-H319 PolarHBondContact O-N 3.31Å
316V83.4Confident77.4Confident92 Ų92112.6 Ų112.656%0.55855%0.553SS**Hα-helixtrans-64.4-40.8175.9171.50000111.2L312 K313 E314 H319 R320L312-V316 WeakPolarHBondContact O-CG2 3.35Å; L312-V316 PolarHBondContact O-N 2.89Å; K313-V316 PolarHBondContact O-N 3.31Å; E314-V316 PolarHBondContact O-N 3.06Å; V316-H319 PolarHBondContact O-N 3.3Å; V316-R320 WeakPolarHBondContact O-CB 3.47Å; V316-R320 PolarHBondContact O-N 2.9Å
317L75.4Confident78.3Confident93 Ų93115.2 Ų115.249%0.48755%0.551SS.*Hα-helixtrans-64.6-45176.1-74.2171.4000111.6K313 E314 H319 R320 E321K313-L317 WeakPolarHBondContact O-CB 3.2Å; K313-L317 VanDerWaalsContact O-CG 3.3Å; K313-L317 WeakPolarHBondContact O-CG 3.4Å; K313-L317 PolarHBondContact O-N 2.83Å; E314-L317 PolarHBondContact O-N 3.45Å; L317-H319 VanDerWaalsContact C-N 3.34Å; L317-H319 PolarHBondContact O-N 3Å; L317-R320 WeakPolarHBondContact O-CB 3.29Å; L317-R320 PolarHBondContact O-N 2.92Å; L317-R320 VanDerWaalsContact O-N 3.11Å; L317-E321 WeakPolarHBondContact O-CG 3.36Å; L317-E321 PolarHBondContact O-N 2.97Å
318R83.5Confident79Confident156 Ų156115.3 Ų115.359%0.58955%0.549SS*.Hα-helixtrans-60.7-41.2175.7-72.4-179.9-173.9-155.23.6112.4E314 Q315 R320 E321 K322E314-R318 WeakPolarHBondContact O-CG 3.19Å; E314-R318 PolarHBondContact O-N 3.42Å; E314-R318 IonicContact OE1-CZ 2.91Å; E314-R318 IonicContact OE1-NE 3.09Å; E314-R318 PolarHBondContact OE1-NE 3.15Å; E314-R318 IonicContact OE1-NH2 2.79Å; E314-R318 PolarHBondContact OE1-NH2 3.09Å; Q315-R318 PolarHBondContact O-N 3.45Å; R318-R320 VanDerWaalsContact C-N 3.32Å; R318-R320 PolarHBondContact O-N 3.43Å; R318-E321 PolarHBondContact O-N 3.06Å; R318-K322 PolarHBondContact O-N 3.26Å
319H86Confident80.1Confident143 Ų143116.5 Ų116.566%0.66254%0.542SS*.Hα-helixtrans-65.7-37.1175.8-167.6-63.9000111.7Q315 V316 L317 A323Q315-H319 PolarHBondContact O-N 3.31Å; V316-H319 PolarHBondContact O-N 3.3Å; L317-H319 VanDerWaalsContact C-N 3.34Å; L317-H319 PolarHBondContact O-N 3Å; H319-A323 WeakPolarHBondContact O-CB 3.1Å; H319-A323 PolarHBondContact O-N 3.35Å
320R83.7Confident81Confident172 Ų172121.5 Ų121.565%0.64955%0.55SS**Hα-helixtrans-69.3-40.8176.7-174.9174.9178.5166.5-1.1112.3V316 L317 R318 A323 L324V316-R320 WeakPolarHBondContact O-CB 3.47Å; V316-R320 PolarHBondContact O-N 2.9Å; L317-R320 WeakPolarHBondContact O-CB 3.29Å; L317-R320 PolarHBondContact O-N 2.92Å; L317-R320 VanDerWaalsContact O-N 3.11Å; R318-R320 VanDerWaalsContact C-N 3.32Å; R318-R320 PolarHBondContact O-N 3.43Å; R320-A323 PolarHBondContact O-N 3.18Å; R320-L324 HydrophobicContact CG-CD1 4.38Å; R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.26Å
321E81.3Confident81.6Confident132 Ų132122 Ų12262%0.61755%0.553SS**Hα-helixtrans-61.6-44.5174.2-77.4177.517000111.3L317 R318 A323 L324 K325L317-E321 WeakPolarHBondContact O-CG 3.36Å; L317-E321 PolarHBondContact O-N 2.97Å; R318-E321 PolarHBondContact O-N 3.06Å; E321-A323 VanDerWaalsContact C-N 3.35Å; E321-A323 PolarHBondContact O-N 3.29Å; E321-L324 PolarHBondContact O-N 3.5Å; E321-K325 PolarHBondContact O-N 3.4Å
322K87.4Confident82Confident138 Ų138119.1 Ų119.160%0.655%0.546SS*.Hα-helixtrans-59.5-45.7175.1-169.1-179.7178-173.60111.8R318 L324 K325 E326R318-K322 PolarHBondContact O-N 3.26Å; K322-L324 VanDerWaalsContact C-N 3.31Å; K322-L324 PolarHBondContact O-N 3.07Å; K322-K325 PolarHBondContact O-N 3.31Å; K322-E326 WeakPolarHBondContact CE-OE1 3.37Å; K322-E326 WeakPolarHBondContact O-CG 3.42Å; K322-E326 PolarHBondContact O-N 3.05Å
323A85.8Confident82.3Confident43 Ų43119.2 Ų119.236%0.35554%0.544SS..Hα-helixtrans-64.8-32.8178.100000113.3H319 R320 E321 R327H319-A323 WeakPolarHBondContact O-CB 3.1Å; H319-A323 PolarHBondContact O-N 3.35Å; R320-A323 PolarHBondContact O-N 3.18Å; E321-A323 VanDerWaalsContact C-N 3.35Å; E321-A323 PolarHBondContact O-N 3.29Å; A323-R327 WeakPolarHBondContact O-CB 3.47Å; A323-R327 PolarHBondContact O-N 3.06Å
324L78.1Confident82.6Confident96 Ų96120.5 Ų120.550%0.50355%0.545SS..Hα-helixtrans-70-43.8174.2-76.9170.1000111.3R320 E321 K322 E326 R327 E328R320-L324 HydrophobicContact CG-CD1 4.38Å; R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.26Å; E321-L324 PolarHBondContact O-N 3.5Å; K322-L324 VanDerWaalsContact C-N 3.31Å; K322-L324 PolarHBondContact O-N 3.07Å; L324-E326 PolarHBondContact O-N 3.3Å; L324-R327 WeakPolarHBondContact O-CA 3.17Å; L324-R327 WeakPolarHBondContact O-CB 3.15Å; L324-R327 PolarHBondContact O-N 2.98Å; L324-E328 PolarHBondContact O-N 3.42Å
325K84.9Confident82.5Confident131 Ų131122.7 Ų122.757%0.5756%0.555SS**Hα-helixtrans-61.9-44.1177.4-166.9174.2-179.7178.60112.2E321 K322 R327 E328 E329E321-K325 PolarHBondContact O-N 3.4Å; K322-K325 PolarHBondContact O-N 3.31Å; K325-R327 PolarHBondContact O-N 3.18Å; K325-E328 PolarHBondContact O-N 2.84Å; K325-E329 PolarHBondContact O-N 3.09Å
326E87.7Confident82.5Confident88 Ų88122.8 Ų122.841%0.41156%0.556SS.*Hα-helixtrans-63.7-25.8173.6-72.9173.2-170.800113K322 L324 R330K322-E326 WeakPolarHBondContact CE-OE1 3.37Å; K322-E326 WeakPolarHBondContact O-CG 3.42Å; K322-E326 PolarHBondContact O-N 3.05Å; L324-E326 PolarHBondContact O-N 3.3Å; E326-R330 WeakPolarHBondContact O-CG 3.24Å; E326-R330 PolarHBondContact O-N 3.5Å; E326-R330 PolarHBondContact O-NE 3.24Å
327R83.8Confident82.5Confident161 Ų161124.9 Ų124.961%0.60856%0.559SS**Hα-helixtrans-79.9-38.6175.1-176.6178176.9-179.5-1.8111.4A323 L324 K325 R330 L331A323-R327 WeakPolarHBondContact O-CB 3.47Å; A323-R327 PolarHBondContact O-N 3.06Å; L324-R327 WeakPolarHBondContact O-CA 3.17Å; L324-R327 WeakPolarHBondContact O-CB 3.15Å; L324-R327 PolarHBondContact O-N 2.98Å; K325-R327 PolarHBondContact O-N 3.18Å; R327-R330 PolarHBondContact O-N 3.26Å; R327-L331 HydrophobicContact CG-CD1 4.39Å; R327-L331 WeakPolarHBondContact O-CG 3.19Å; R327-L331 PolarHBondContact O-N 3.02Å
328E77.7Confident82.5Confident121 Ų121125.3 Ų125.357%0.56556%0.562SS**Hα-helixtrans-63.1-48.7176.3-169.2168.1-154.600110.9L324 K325 R330 L331 E332L324-E328 PolarHBondContact O-N 3.42Å; K325-E328 PolarHBondContact O-N 2.84Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.22Å; E328-L331 WeakPolarHBondContact O-CA 3.23Å; E328-L331 WeakPolarHBondContact O-CB 3.41Å; E328-L331 PolarHBondContact O-N 3.46Å; E328-E332 PolarHBondContact O-N 2.73Å
329E85.4Confident82.5Confident97 Ų97120.9 Ų120.945%0.45355%0.554SS.*Hα-helixtrans-58.4-39.5175.7-74.5174.4-173.100112.3K325 L331 E332 Q333K325-E329 PolarHBondContact O-N 3.09Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 2.72Å; E329-E332 PolarHBondContact O-N 2.62Å; E329-Q333 WeakPolarHBondContact O-CG 3.47Å; E329-Q333 PolarHBondContact O-N 3.41Å
330R85.9Confident82.5Confident156 Ų156118 Ų11859%0.58955%0.546SS*.Hα-helixtrans-66.3-34.1175-81.2-176.7-73.6-172.7-5.9113E326 R327 E328 R334E326-R330 WeakPolarHBondContact O-CG 3.24Å; E326-R330 PolarHBondContact O-N 3.5Å; E326-R330 PolarHBondContact O-NE 3.24Å; R327-R330 PolarHBondContact O-N 3.26Å; E328-R330 VanDerWaalsContact C-N 3.29Å; E328-R330 PolarHBondContact O-N 3.22Å; R330-R334 WeakPolarHBondContact O-CB 3.35Å; R330-R334 PolarHBondContact O-N 3.16Å
331L76.5Confident82.3Confident102 Ų102119 Ų11953%0.53455%0.55SS..Hα-helixtrans-72.6-41.7176.9-74170.3000110.8R327 E328 E329 Q333 R334 E335R327-L331 HydrophobicContact CG-CD1 4.39Å; R327-L331 WeakPolarHBondContact O-CG 3.19Å; R327-L331 PolarHBondContact O-N 3.02Å; E328-L331 WeakPolarHBondContact O-CA 3.23Å; E328-L331 WeakPolarHBondContact O-CB 3.41Å; E328-L331 PolarHBondContact O-N 3.46Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 2.72Å; L331-Q333 PolarHBondContact O-N 3.35Å; L331-R334 PolarHBondContact O-N 3.32Å; L331-E335 WeakPolarHBondContact O-CB 3.49Å; L331-E335 PolarHBondContact O-N 2.7Å
332E82.6Confident82.1Confident105 Ų105118.4 Ų118.449%0.49155%0.547SS..Hα-helixtrans-60.4-44.8174.7-74.2-176.8166.500111.9E328 E329 R334 E335 Q336E328-E332 PolarHBondContact O-N 2.73Å; E329-E332 PolarHBondContact O-N 2.62Å; E332-R334 VanDerWaalsContact C-N 3.3Å; E332-R334 PolarHBondContact O-N 2.79Å; E332-E335 PolarHBondContact O-N 2.95Å; E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.15Å
333Q84.3Confident81.9Confident114 Ų114119.5 Ų119.553%0.53355%0.548SS..Hα-helixtrans-58.3-44.1174.9-75.2174.32.400111.5E329 L331 Q336 E337E329-Q333 WeakPolarHBondContact O-CG 3.47Å; E329-Q333 PolarHBondContact O-N 3.41Å; L331-Q333 PolarHBondContact O-N 3.35Å; Q333-Q336 PolarHBondContact O-N 3.38Å; Q333-E337 WeakPolarHBondContact O-CG 3.26Å; Q333-E337 PolarHBondContact O-N 2.84Å
334R81.4Confident81.7Confident169 Ų169121.8 Ų121.864%0.63855%0.553SS**Hα-helixtrans-69-34.1179.5-168.1166.1-179.3165.5-0.2112.7R330 L331 E332 E337 L338R330-R334 WeakPolarHBondContact O-CB 3.35Å; R330-R334 PolarHBondContact O-N 3.16Å; L331-R334 PolarHBondContact O-N 3.32Å; E332-R334 VanDerWaalsContact C-N 3.3Å; E332-R334 PolarHBondContact O-N 2.79Å; R334-E337 PolarHBondContact O-N 2.92Å; R334-L338 WeakPolarHBondContact O-CB 3.45Å; R334-L338 VanDerWaalsContact O-CG 3.28Å; R334-L338 WeakPolarHBondContact O-CG 3.37Å; R334-L338 PolarHBondContact O-N 3.39Å
335E76.5Confident81.6Confident140 Ų140120.5 Ų120.565%0.65455%0.552SS**Hα-helixtrans-66.8-41.8174-172173.4-174.100111.3L331 E332 L338 C339L331-E335 WeakPolarHBondContact O-CB 3.49Å; L331-E335 PolarHBondContact O-N 2.7Å; E332-E335 PolarHBondContact O-N 2.95Å; E335-L338 PolarHBondContact O-N 3.11Å; E335-C339 WeakPolarHBondContact O-CB 3.49Å; E335-C339 PolarHBondContact O-N 3.2Å
336Q80.6Confident81.3Confident130 Ų130118.3 Ų118.361%0.60755%0.547SS*.Hα-helixtrans-61.3-44.4173.2-70.7175.77.300111.8E332 Q333 L338 C339 V340E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.15Å; Q333-Q336 PolarHBondContact O-N 3.38Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 2.88Å; Q336-C339 PolarHBondContact O-N 3.03Å; Q336-V340 WeakPolarHBondContact O-CG2 3.21Å; Q336-V340 PolarHBondContact O-N 3.02Å
337E84.4Confident81.2Confident135 Ų135118.1 Ų118.163%0.63155%0.546SS*.Hα-helixtrans-59.6-43.5174.8-75.3178179.700112.3Q333 R334 V340 R341Q333-E337 WeakPolarHBondContact O-CG 3.26Å; Q333-E337 PolarHBondContact O-N 2.84Å; R334-E337 PolarHBondContact O-N 2.92Å; E337-V340 PolarHBondContact O-N 3.4Å; E337-R341 WeakPolarHBondContact O-CB 3.28Å; E337-R341 PolarHBondContact O-N 3.34Å
338L74.4Confident81Confident103 Ų103117.4 Ų117.454%0.53955%0.548SS..Hα-helixtrans-65.2-41.6177.7-74.7171.5000111.8R334 E335 Q336 V340 R341 E342R334-L338 WeakPolarHBondContact O-CB 3.45Å; R334-L338 VanDerWaalsContact O-CG 3.28Å; R334-L338 WeakPolarHBondContact O-CG 3.37Å; R334-L338 PolarHBondContact O-N 3.39Å; E335-L338 PolarHBondContact O-N 3.11Å; Q336-L338 VanDerWaalsContact C-N 3.34Å; Q336-L338 PolarHBondContact O-N 2.88Å; L338-V340 PolarHBondContact O-N 3.34Å; L338-R341 PolarHBondContact O-N 3.39Å; L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 PolarHBondContact O-N 2.99Å
339C83.8Confident81.1Confident63 Ų63116.2 Ų116.243%0.42655%0.545SS..Hα-helixtrans-60.7-43.6175.8179.40000111.8E335 Q336 E342 R343E335-C339 WeakPolarHBondContact O-CB 3.49Å; E335-C339 PolarHBondContact O-N 3.2Å; Q336-C339 PolarHBondContact O-N 3.03Å; C339-E342 PolarHBondContact O-N 3.48Å; C339-R343 WeakPolarHBondContact O-CB 3.23Å; C339-R343 PolarHBondContact O-N 2.88Å
340V85.3Confident81Confident83 Ų83114.2 Ų114.250%0.50354%0.544SS..Hα-helixtrans-63-44.5174.91730000110.8Q336 E337 L338 E342 R343 L344Q336-V340 WeakPolarHBondContact O-CG2 3.21Å; Q336-V340 PolarHBondContact O-N 3.02Å; E337-V340 PolarHBondContact O-N 3.4Å; L338-V340 PolarHBondContact O-N 3.34Å; V340-E342 PolarHBondContact O-N 2.72Å; V340-R343 PolarHBondContact O-N 3.37Å; V340-L344 HydrophobicContact CG1-CD1 4.09Å; V340-L344 WeakPolarHBondContact O-CG 3.39Å; V340-L344 PolarHBondContact O-N 2.79Å
341R80.4Confident80.8Confident191 Ų191114.5 Ų114.572%0.72155%0.546SS*.Hα-helixtrans-63.8-40.2178.8-172.4175.5-179.9160.60.7112.3E337 L338 L344 S345E337-R341 WeakPolarHBondContact O-CB 3.28Å; E337-R341 PolarHBondContact O-N 3.34Å; L338-R341 PolarHBondContact O-N 3.39Å; R341-L344 PolarHBondContact O-N 2.95Å; R341-S345 WeakPolarHBondContact O-CB 3.48Å; R341-S345 PolarHBondContact O-N 3.21Å
342E77.2Confident80.8Confident121 Ų121112.1 Ų112.157%0.56554%0.541SS*.Hα-helixtrans-64.3-45.4176.2-175176.4-162.500111.1L338 C339 V340 L344 S345 N346L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 PolarHBondContact O-N 2.99Å; C339-E342 PolarHBondContact O-N 3.48Å; V340-E342 PolarHBondContact O-N 2.72Å; E342-L344 PolarHBondContact O-N 2.82Å; E342-S345 WeakPolarHBondContact O-CB 3.47Å; E342-S345 PolarHBondContact O-N 3.45Å; E342-S345 VanDerWaalsContact O-N 3.13Å; E342-N346 WeakPolarHBondContact O-CB 3.49Å; E342-N346 PolarHBondContact O-N 3.13Å
343R82.9Confident80.7Confident160 Ų160113 Ų11360%0.60454%0.544SS*.Hα-helixtrans-57.6-47.8175.2-170.8-178.9-64.2171.30.7111.7C339 V340 S345 N346 E347C339-R343 WeakPolarHBondContact O-CB 3.23Å; C339-R343 PolarHBondContact O-N 2.88Å; V340-R343 PolarHBondContact O-N 3.37Å; R343-S345 VanDerWaalsContact C-N 3.3Å; R343-S345 PolarHBondContact O-N 2.97Å; R343-N346 PolarHBondContact O-N 3.43Å; R343-E347 WeakPolarHBondContact O-CG 3.39Å; R343-E347 PolarHBondContact O-N 3.13Å
344L81.6Confident80.7Confident91 Ų91111.2 Ų111.248%0.47655%0.545SS..Hα-helixtrans-62.2-37.2176.7-71.3170.6000112.4V340 R341 E342 K348V340-L344 HydrophobicContact CG1-CD1 4.09Å; V340-L344 WeakPolarHBondContact O-CG 3.39Å; V340-L344 PolarHBondContact O-N 2.79Å; R341-L344 PolarHBondContact O-N 2.95Å; E342-L344 PolarHBondContact O-N 2.82Å; L344-K348 WeakPolarHBondContact O-CG 3.31Å; L344-K348 PolarHBondContact O-N 3.4Å; L344-K348 VanDerWaalsContact O-N 3.12Å
345S76.9Confident80.8Confident69 Ų69108.9 Ų108.948%0.48354%0.544SS..Hα-helixtrans-66.2-44.8175.3-170.10000111.6R341 E342 R343 E347 K348 L349R341-S345 WeakPolarHBondContact O-CB 3.48Å; R341-S345 PolarHBondContact O-N 3.21Å; E342-S345 WeakPolarHBondContact O-CB 3.47Å; E342-S345 PolarHBondContact O-N 3.45Å; E342-S345 VanDerWaalsContact O-N 3.13Å; R343-S345 VanDerWaalsContact C-N 3.3Å; R343-S345 PolarHBondContact O-N 2.97Å; S345-E347 PolarHBondContact O-N 3.31Å; S345-K348 WeakPolarHBondContact O-CB 3.4Å; S345-K348 PolarHBondContact O-N 2.85Å; S345-L349 PolarHBondContact O-N 3.21Å
346N77.8Confident81Confident86 Ų86107.6 Ų107.646%0.4654%0.541SS..Hα-helixtrans-65.3-38.2178.7-72.3-15.4000111.8E342 R343 L349 A350E342-N346 WeakPolarHBondContact O-CB 3.49Å; E342-N346 PolarHBondContact O-N 3.13Å; R343-N346 PolarHBondContact O-N 3.43Å; N346-L349 PolarHBondContact O-N 3.39Å; N346-A350 WeakPolarHBondContact O-CB 3.45Å; N346-A350 PolarHBondContact O-N 2.99Å
347E84.8Confident81Confident84 Ų84109.3 Ų109.339%0.39355%0.547SS..Hα-helixtrans-62.6-41.4172.2-76.9-178.8-161.500112.3R343 S345 L349 A350 R351R343-E347 WeakPolarHBondContact O-CG 3.39Å; R343-E347 PolarHBondContact O-N 3.13Å; S345-E347 PolarHBondContact O-N 3.31Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-A350 PolarHBondContact O-N 3.31Å; E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.29Å; E347-R351 PolarHBondContact O-N 2.79Å; E347-R351 IonicContact OE2-NH2 3.97Å
348K80.4Confident80.7Confident146 Ų146105.6 Ų105.664%0.63554%0.535SS*.Hα-helixtrans-63.3-41.8175.2-74.8175-179-177.50111.4L344 S345 R351 A352L344-K348 WeakPolarHBondContact O-CG 3.31Å; L344-K348 PolarHBondContact O-N 3.4Å; L344-K348 VanDerWaalsContact O-N 3.12Å; S345-K348 WeakPolarHBondContact O-CB 3.4Å; S345-K348 PolarHBondContact O-N 2.85Å; K348-R351 PolarHBondContact O-N 3.5Å; K348-A352 PolarHBondContact O-N 3.2Å
349L80.9Confident80.8Confident96 Ų96107.9 Ų107.950%0.50354%0.538SS..Hα-helixtrans-63.1-48.9176.7-174.165.6000111.1S345 N346 E347 R351 A352 E353S345-L349 PolarHBondContact O-N 3.21Å; N346-L349 PolarHBondContact O-N 3.39Å; E347-L349 VanDerWaalsContact C-N 3.34Å; L349-R351 VanDerWaalsContact C-N 3.29Å; L349-R351 PolarHBondContact O-N 3.01Å; L349-A352 WeakPolarHBondContact O-CA 3.37Å; L349-A352 WeakPolarHBondContact O-CB 3.46Å; L349-A352 PolarHBondContact O-N 3.42Å; L349-E353 WeakPolarHBondContact O-CG 3.28Å; L349-E353 PolarHBondContact O-N 3.16Å
350A81.9Confident80.5Confident54 Ų54108.3 Ų108.345%0.44654%0.536SS..Hα-helixtrans-59.8-38.517800000112.5N346 E347 E353 S354N346-A350 WeakPolarHBondContact O-CB 3.45Å; N346-A350 PolarHBondContact O-N 2.99Å; E347-A350 PolarHBondContact O-N 3.31Å; A350-E353 PolarHBondContact O-N 2.91Å; A350-S354 WeakPolarHBondContact O-CB 3.41Å; A350-S354 PolarHBondContact O-N 3.45Å
351R82.2Confident80.2Confident163 Ų163108.8 Ų108.862%0.61554%0.536SS*.Hα-helixtrans-63.9-42.8173.1-72.6176.3-164.6-1768.4111.7E347 K348 L349 S354 L355E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.29Å; E347-R351 PolarHBondContact O-N 2.79Å; E347-R351 IonicContact OE2-NH2 3.97Å; K348-R351 PolarHBondContact O-N 3.5Å; L349-R351 VanDerWaalsContact C-N 3.29Å; L349-R351 PolarHBondContact O-N 3.01Å; R351-S354 PolarHBondContact O-N 2.98Å; R351-L355 WeakPolarHBondContact O-CG 3.5Å; R351-L355 PolarHBondContact O-N 3.48Å
352A76.1Confident79.9Confident52 Ų52103.1 Ų103.143%0.4352%0.522SS..Hα-helixtrans-64-42.5177.300000111.8K348 L349 L355 L356K348-A352 PolarHBondContact O-N 3.2Å; L349-A352 WeakPolarHBondContact O-CA 3.37Å; L349-A352 WeakPolarHBondContact O-CB 3.46Å; L349-A352 PolarHBondContact O-N 3.42Å; A352-L355 PolarHBondContact O-N 3.23Å; A352-L356 WeakPolarHBondContact O-CB 3.43Å; A352-L356 PolarHBondContact O-N 2.97Å
353E81.3Confident79.8Confident122 Ų122103.6 Ų103.657%0.5752%0.522SS*.Hα-helixtrans-62.8-42.5175.9-71.8178.7167.200112.1L349 A350 L356 K357L349-E353 WeakPolarHBondContact O-CG 3.28Å; L349-E353 PolarHBondContact O-N 3.16Å; A350-E353 PolarHBondContact O-N 2.91Å; E353-L356 PolarHBondContact O-N 3.11Å; E353-K357 WeakPolarHBondContact O-CB 3.18Å; E353-K357 PolarHBondContact O-N 2.74Å
354S84.2Confident79.1Confident77 Ų77102.3 Ų102.354%0.53852%0.523SS..Hα-helixtrans-62.4-42.2175.5-174.30000112.2A350 R351 K357 S358A350-S354 WeakPolarHBondContact O-CB 3.41Å; A350-S354 PolarHBondContact O-N 3.45Å; R351-S354 PolarHBondContact O-N 2.98Å; S354-K357 PolarHBondContact O-N 2.94Å; S354-S358 PolarHBondContact O-N 3.08Å; S354-S358 PolarHBondContact O-OG 3.07Å
355L82.6Confident78.3Confident121 Ų121103.8 Ų103.863%0.63453%0.527SS*.Hα-helixtrans-63-40.4173.8-76.8168.2000112.1R351 A352 S358 Y359R351-L355 WeakPolarHBondContact O-CG 3.5Å; R351-L355 PolarHBondContact O-N 3.48Å; A352-L355 PolarHBondContact O-N 3.23Å; L355-S358 VanDerWaalsContact CA-OG 3.29Å; L355-S358 WeakPolarHBondContact CA-OG 3.23Å; L355-S358 PolarHBondContact O-N 3.28Å; L355-S358 PolarHBondContact O-OG 3.43Å; L355-Y359 VanDerWaalsContact O-CB 3.3Å; L355-Y359 WeakPolarHBondContact O-CB 3.42Å; L355-Y359 PolarHBondContact O-N 3.31Å
356L80.7Confident77.5Confident113 Ų113108.4 Ų108.459%0.59254%0.539SS*.Hα-helixtrans-66.4-40.2177.6-146.7102.8000111.4A352 E353 Y359 N360A352-L356 WeakPolarHBondContact O-CB 3.43Å; A352-L356 PolarHBondContact O-N 2.97Å; E353-L356 PolarHBondContact O-N 3.11Å; L356-Y359 PolarHBondContact O-N 3.28Å; L356-N360 WeakPolarHBondContact O-CB 3.37Å; L356-N360 VanDerWaalsContact O-CG 3.28Å; L356-N360 PolarHBondContact O-N 3.1Å; L356-N360 PolarHBondContact O-ND2 3.27Å
357K80.9Confident76.2Confident166 Ų166107.5 Ų107.572%0.72254%0.543SS*.Hα-helixtrans-65.6-44.3177.6-168.7175.3-177178.70111.7E353 S354 N360 L361E353-K357 WeakPolarHBondContact O-CB 3.18Å; E353-K357 PolarHBondContact O-N 2.74Å; S354-K357 PolarHBondContact O-N 2.94Å; K357-N360 PolarHBondContact O-N 3.2Å; K357-L361 PolarHBondContact O-N 2.98Å
358S78.5Confident74.5Confident56 Ų56110.2 Ų110.239%0.39256%0.559SS.*Hα-helixtrans-66.8-39.5175.642.50000112.1S354 L355 N360 L361 V362S354-S358 PolarHBondContact O-N 3.08Å; S354-S358 PolarHBondContact O-OG 3.07Å; L355-S358 VanDerWaalsContact CA-OG 3.29Å; L355-S358 WeakPolarHBondContact CA-OG 3.23Å; L355-S358 PolarHBondContact O-N 3.28Å; L355-S358 PolarHBondContact O-OG 3.43Å; S358-N360 PolarHBondContact O-N 2.93Å; S358-L361 PolarHBondContact O-N 2.68Å; S358-V362 WeakPolarHBondContact O-CG2 3.34Å; S358-V362 PolarHBondContact O-N 2.94Å
359Y76.4Confident72.8Confident151 Ų151107.8 Ų107.859%0.59256%0.559SS**Hα-helixtrans-58.7-46.6171175.4-96.3000112.3L355 L356 L361 V362 K363L355-Y359 VanDerWaalsContact O-CB 3.3Å; L355-Y359 WeakPolarHBondContact O-CB 3.42Å; L355-Y359 PolarHBondContact O-N 3.31Å; L356-Y359 PolarHBondContact O-N 3.28Å; Y359-L361 VanDerWaalsContact C-N 3.32Å; Y359-L361 PolarHBondContact O-N 3Å; Y359-V362 PolarHBondContact O-N 3.28Å; Y359-K363 HydrophobicContact CE1-CD 4.28Å; Y359-K363 WeakPolarHBondContact O-CB 3.4Å; Y359-K363 PolarHBondContact O-N 3.46Å
360N78.1Confident71.1Confident72 Ų72110.5 Ų110.539%0.38557%0.573SS.*Hα-helixtrans-63.9-36.8177.9-75.5-31.4000112.3L356 K357 S358 K363 Q364L356-N360 WeakPolarHBondContact O-CB 3.37Å; L356-N360 VanDerWaalsContact O-CG 3.28Å; L356-N360 PolarHBondContact O-N 3.1Å; L356-N360 PolarHBondContact O-ND2 3.27Å; K357-N360 PolarHBondContact O-N 3.2Å; S358-N360 PolarHBondContact O-N 2.93Å; N360-K363 PolarHBondContact O-N 3.32Å; N360-Q364 WeakPolarHBondContact O-CG 3.35Å; N360-Q364 PolarHBondContact O-N 2.82Å
361L77.9Confident69.2Low94 Ų94115.1 Ų115.149%0.49259%0.589SS.*Hα-helixtrans-65.5-45.4175.2-17267.6000111.7K357 S358 Y359 K363 Q364 Q365K357-L361 PolarHBondContact O-N 2.98Å; S358-L361 PolarHBondContact O-N 2.68Å; Y359-L361 VanDerWaalsContact C-N 3.32Å; Y359-L361 PolarHBondContact O-N 3Å; L361-K363 VanDerWaalsContact C-N 3.3Å; L361-K363 PolarHBondContact O-N 3.12Å; L361-Q364 PolarHBondContact O-N 3.42Å; L361-Q365 WeakPolarHBondContact O-CG 3.41Å; L361-Q365 PolarHBondContact O-N 3.48Å
362V75.6Confident67.2Low72 Ų72118 Ų11844%0.43660%0.602SS.*Hα-helixtrans-63.7-37.6175.7172.40000111S358 Y359 Q365 K366S358-V362 WeakPolarHBondContact O-CG2 3.34Å; S358-V362 PolarHBondContact O-N 2.94Å; Y359-V362 PolarHBondContact O-N 3.28Å; V362-Q365 PolarHBondContact O-N 3.48Å; V362-K366 HydrophobicContact CG1-CD 4.33Å; V362-K366 HydrophobicContact CG1-CG 4.47Å; V362-K366 WeakPolarHBondContact O-CB 3.4Å; V362-K366 PolarHBondContact O-N 3.22Å
363K73.6Confident65.6Low131 Ų131119.9 Ų119.957%0.5761%0.612SS**Hα-helixtrans-63.7-40.2174.6-173.8179.9177.3-177.20111.9Y359 N360 L361 A367Y359-K363 HydrophobicContact CE1-CD 4.28Å; Y359-K363 WeakPolarHBondContact O-CB 3.4Å; Y359-K363 PolarHBondContact O-N 3.46Å; N360-K363 PolarHBondContact O-N 3.32Å; L361-K363 VanDerWaalsContact C-N 3.3Å; L361-K363 PolarHBondContact O-N 3.12Å; K363-A367 PolarHBondContact O-N 2.96Å
364Q68.9Low63.4Low133 Ų133122.1 Ų122.162%0.62163%0.628SS**Hα-helixtrans-69.4-39.4174.6-77.6-179.6-8.100112.3N360 L361 A367N360-Q364 WeakPolarHBondContact O-CG 3.35Å; N360-Q364 PolarHBondContact O-N 2.82Å; L361-Q364 PolarHBondContact O-N 3.42Å; Q364-A367 WeakPolarHBondContact O-CB 3.43Å; Q364-A367 PolarHBondContact O-N 3.41Å
365Q65.7Low61.2Low122 Ų122127.5 Ų127.557%0.5764%0.644SS**Hα-helixtrans-70.1-36177.3-73.2178-6.900112.9L361 V362 A367 L368L361-Q365 WeakPolarHBondContact O-CG 3.41Å; L361-Q365 PolarHBondContact O-N 3.48Å; V362-Q365 PolarHBondContact O-N 3.48Å; Q365-A367 PolarHBondContact O-N 3.36Å; Q365-L368 PolarHBondContact O-N 3.45Å
366K59.4Low58.8Low166 Ų166130.8 Ų130.872%0.72266%0.659SS**Hα-helixtrans-72.5-13.9172.3-78.1-172176-175.30113.9V362 L368 P369V362-K366 HydrophobicContact CG1-CD 4.33Å; V362-K366 HydrophobicContact CG1-CG 4.47Å; V362-K366 WeakPolarHBondContact O-CB 3.4Å; V362-K366 PolarHBondContact O-N 3.22Å; K366-L368 VanDerWaalsContact C-N 3.32Å; K366-P369 WeakPolarHBondContact O-CD 3.38Å
367A51.1Low56.3Low66 Ų66133.2 Ų133.255%0.54567%0.672SS.*THydrogen-bonded Turntrans-82.9-9.2171.500000112.9K363 Q364 Q365K363-A367 PolarHBondContact O-N 2.96Å; Q364-A367 WeakPolarHBondContact O-CB 3.43Å; Q364-A367 PolarHBondContact O-N 3.41Å; Q365-A367 PolarHBondContact O-N 3.36Å
368L47.4Very low54Low141 Ų141134.9 Ų134.974%0.73868%0.682SS**SBendtrans-85.9-18-175.4-115.283.3000117.5Q365 K366Q365-L368 PolarHBondContact O-N 3.45Å; K366-L368 VanDerWaalsContact C-N 3.32Å
369P46.1Very low51.8Low96 Ų96135.4 Ų135.462%0.62370%0.697SS**THydrogen-bonded Turntrans-99.642.717432-23.3000113.8K366K366-P369 WeakPolarHBondContact O-CD 3.38Å
370L43.9Very low49.6Very low152 Ų152137 Ų13780%0.79671%0.71SS**THydrogen-bonded Turntrans-124.712167.8-80.4171.7000113.7
371L42.7Very low47.4Very low151 Ų151142.6 Ų142.679%0.79173%0.734SS**SBendtrans-112.47.2177.4-83.5163.7000114.3
372Y40.5Very low45.1Very low225 Ų225145.7 Ų145.788%0.88275%0.751SS**SBendtrans-140.371.4173.6-84.4-88.2000110.3
373S41.7Very low42.9Very low91 Ų91148.1 Ų148.164%0.63677%0.765SS**SBendtrans-17886.5157.428.10000108.2
374N34.8Very low40.6Very low169 Ų169146.9 Ų146.990%0.90477%0.774SS**  trans17368.5145.5-86.3-5.9000108.4
375E38.6Very low39.3Very low189 Ų189146.7 Ų146.788%0.88378%0.784SS**  trans-115103.9146.6-78.9-170.9173.300105.5
376M31.9Very low37.5Very low191 Ų191144.2 Ų144.294%0.94179%0.791SS**  trans179.3131.4143.8-96.6173-151.700108.5
377D29.6Very low36Very low163 Ų163145.4 Ų145.487%0.87280%0.796SS**  trans96.879.6160.7-124.728.9000118.5
378E32.6Very low34.9Very low201 Ų201150.8 Ų150.894%0.93981%0.808SS**  trans-111126.5141.5-81.8-162.216600108.8
379G31.1Very low33.9Very low68 Ų68149.6 Ų149.670%0.70181%0.806SS**  trans-83.8147.2-177.900000114.1
380E31.1Very low33Very low183 Ų183152.6 Ų152.686%0.85581%0.811SS**  trans3.5116.9153.3-61.4-178.4156.300119
381E30.5Very low32.3Very low191 Ų191154.7 Ų154.789%0.89381%0.814SS**PPolyproline II helixtrans-98.1119.3147.3-86.2-166.6156.800109.7
382N30.8Very low31.7Very low158 Ų158152.2 Ų152.285%0.84582%0.816SS**PPolyproline II helixtrans-92.1135.1167.6-106.5-39.6000110.6
383V28Very low31Very low123 Ų123145.3 Ų145.375%0.74581%0.813SS**PPolyproline II helixtrans-98.9123.6-172.7169.30000111.4
384S26.6Very low30.4Very low106 Ų106149.8 Ų149.874%0.74182%0.823SS**  trans65.4172.1145.4-60.50000119.5
385P41.3Very low30.1Very low128 Ų128146.7 Ų146.783%0.83182%0.815SS**  cis-135.3166.71.135.6-16.5000116
386G27.1Very low29.8Very low71 Ų71146.6 Ų146.673%0.73281%0.812SS**  trans15390.9147.300000119.7
387K29.4Very low29.7Very low190 Ų190145.1 Ų145.183%0.82680%0.803SS**  50.5118.9128.2-83178.3179.91710120.9
388K27.2Very low29.7Very low180 Ų180143.8 Ų143.878%0.78380%0.795SS**  87.3120117-88.8-169.3-179.7-1700121.7
389V27.3Very low29.5Very low116 Ų116143.5 Ų143.570%0.70379%0.794SS**  trans71.6133.2136.8-93.70000125.4
390H27.4Very low29.9Very low159 Ų159151.7 Ų151.774%0.73680%0.804SS**  trans79.1113.4137.7-81.1-61.5000124
391F28.6Very low30.3Very low195 Ų195148.4 Ų148.486%0.85580%0.798SS**  46133.7122.4-96.4-92.9000124.1
392A29.7Very low30.5Very low100 Ų100145.2 Ų145.283%0.82679%0.787SS**  trans88.8141.3146.400000119.8
393G26.8Very low31Very low79 Ų79146 Ų14681%0.81479%0.786SS**  trans129.195.1150.800000117.4
394E28.7Very low31.7Very low185 Ų185148.4 Ų148.486%0.86479%0.786SS**  trans2.9139.5147.8-68.5-176.716600123.7
395S28.9Very low32.4Very low104 Ų104151.1 Ų151.173%0.72779%0.787SS**  trans79.2121.2131.8-63.10000124.1
396K31.1Very low32.6Very low188 Ų188148.8 Ų148.882%0.81777%0.774SS**  trans85.9113.3141.1-72.1-172178.1-174.10122.3
397E30.2Very low33.5Very low160 Ų160149.6 Ų149.675%0.74877%0.765SS**  trans72.1123.5131.7-81.1-176.814100123.6
398N28.9Very low34.3Very low135 Ų135148.2 Ų148.272%0.72276%0.759SS**  trans71104.3142.4-72.2-21.5000120.1
399Q28.6Very low35.3Very low194 Ų194143.9 Ų143.991%0.90775%0.751SS**  -169.9126115.1-98.516246.700111
400R40.8Very low36.2Very low241 Ų241144.9 Ų144.991%0.90975%0.748SS**  trans-77.6147.1166.5-76.1-179.2179-178.4-0.4109.6
401P37.9Very low37.2Very low113 Ų113141.7 Ų141.773%0.73473%0.733SS**  -133.6142.2129.521.9-2.2000114.9
402D35.1Very low38.1Very low125 Ų125137.2 Ų137.267%0.66872%0.718SS**  trans68.871.7141.4-61.3-30.5000123K404D402-K404 PolarHBondContact O-N 3.4Å
403Q40.9Very low38.9Very low173 Ų173134 Ų13481%0.80870%0.695SS**THydrogen-bonded Turntrans-74.62.4155-89.2177.4-14.500114.9
404K43.1Very low39.9Very low174 Ų174134.9 Ų134.976%0.75768%0.68SS**Hα-helixtrans-87.1-18.7-173.2-81.1-177.9177.7176.10115.7D402D402-K404 PolarHBondContact O-N 3.4Å
405Q42.1Very low41Very low163 Ų163131.6 Ų131.676%0.76266%0.663SS**Hα-helixtrans-86.6-31.2-179.9-92.7176.6-14.900113.8
406S45.3Very low42.1Very low80 Ų80133.3 Ų133.356%0.55966%0.658SS**Hα-helixtrans-67.9-40.9-179.7175.40000112.9S409 Q410S406-S409 PolarHBondContact O-N 3.3Å; S406-Q410 PolarHBondContact O-N 2.89Å
407V44.8Very low43Very low88 Ų88132.2 Ų132.253%0.53365%0.648SS.*Hα-helixtrans-69.6-38.8-177.1-179.90000111.5S409 Q410 E411V407-S409 VanDerWaalsContact C-N 3.32Å; V407-S409 PolarHBondContact O-N 3.14Å; V407-Q410 PolarHBondContact O-N 3.42Å; V407-E411 WeakPolarHBondContact O-CB 3.48Å; V407-E411 PolarHBondContact O-N 2.8Å
408K46.4Very low44Very low160 Ų160130 Ų13070%0.69664%0.641SS**Hα-helixtrans-63.9-34.8177.9-86-175.8173.8-177.70113L412K408-L412 WeakPolarHBondContact O-CB 3.34Å; K408-L412 PolarHBondContact O-N 3.22Å; K408-L412 VanDerWaalsContact O-N 3.07Å
409S47.9Very low45.1Very low90 Ų90129.9 Ų129.963%0.62964%0.636SS**Hα-helixtrans-73.8-38.9-179.5-154.90000111.7S406 V407 G413S406-S409 PolarHBondContact O-N 3.3Å; V407-S409 VanDerWaalsContact C-N 3.32Å; V407-S409 PolarHBondContact O-N 3.14Å; S409-G413 PolarHBondContact O-N 3.1Å; S409-G413 VanDerWaalsContact O-N 3.15Å
410Q47.8Very low46.2Very low137 Ų137122.7 Ų122.764%0.6461%0.609SS**Hα-helixtrans-67-39.5172.4-83.5-176.4-22.600112.5S406 V407 L412 G413 L414S406-Q410 PolarHBondContact O-N 2.89Å; V407-Q410 PolarHBondContact O-N 3.42Å; Q410-L412 VanDerWaalsContact C-N 3.35Å; Q410-L412 PolarHBondContact O-N 3.32Å; Q410-G413 PolarHBondContact O-N 3.28Å; Q410-L414 PolarHBondContact O-N 3.34Å
411E48.5Very low46.6Very low91 Ų91113.3 Ų113.343%0.42558%0.584SS.*Hα-helixtrans-66.2-37.2178.6-155.4-166.8147.200111.9V407 L414 K415V407-E411 WeakPolarHBondContact O-CB 3.48Å; V407-E411 PolarHBondContact O-N 2.8Å; E411-L414 PolarHBondContact O-N 3.25Å; E411-K415 WeakPolarHBondContact O-CG 3.41Å; E411-K415 PolarHBondContact O-N 3.46Å; E411-K415 WeakPolarHBondContact OE1-CE 3.36Å; E411-K415 IonicContact OE1-NZ 2.71Å; E411-K415 PolarHBondContact OE1-NZ 2.98Å
412L46.8Very low47.4Very low102 Ų102112.6 Ų112.653%0.53457%0.574SS.*Hα-helixtrans-66.5-39174.8-164.674.4000112K408 Q410 K415 K416K408-L412 WeakPolarHBondContact O-CB 3.34Å; K408-L412 PolarHBondContact O-N 3.22Å; K408-L412 VanDerWaalsContact O-N 3.07Å; Q410-L412 VanDerWaalsContact C-N 3.35Å; Q410-L412 PolarHBondContact O-N 3.32Å; L412-K415 PolarHBondContact O-N 2.8Å; L412-K416 PolarHBondContact O-N 2.94Å; L412-K416 VanDerWaalsContact O-N 3.08Å
413G45.7Very low48.4Very low33 Ų33112.8 Ų112.834%0.3457%0.572SS.*Hα-helixtrans-65.3-38.9174.100000113S409 Q410 R417S409-G413 PolarHBondContact O-N 3.1Å; S409-G413 VanDerWaalsContact O-N 3.15Å; Q410-G413 PolarHBondContact O-N 3.28Å; G413-R417 WeakPolarHBondContact O-CG 3.45Å; G413-R417 PolarHBondContact O-N 3.04Å; G413-R417 VanDerWaalsContact O-N 3.14Å
414L49.3Very low49.2Very low96 Ų96112.3 Ų112.350%0.50356%0.563SS.*Hα-helixtrans-65.3-44.6174.1-87.5152.9000112.2Q410 E411 K416 R417 L418Q410-L414 PolarHBondContact O-N 3.34Å; E411-L414 PolarHBondContact O-N 3.25Å; L414-K416 PolarHBondContact O-N 3.32Å; L414-R417 PolarHBondContact O-N 3.32Å; L414-L418 WeakPolarHBondContact O-CB 3.4Å; L414-L418 PolarHBondContact O-N 3.31Å
415K51.4Low49.7Very low117 Ų117106.9 Ų106.951%0.50955%0.55SS.*Hα-helixtrans-61.2-42.8177-77.5175.6-176.3163.50112.3E411 L412 R417 L418 Q419E411-K415 WeakPolarHBondContact O-CG 3.41Å; E411-K415 PolarHBondContact O-N 3.46Å; E411-K415 WeakPolarHBondContact OE1-CE 3.36Å; E411-K415 IonicContact OE1-NZ 2.71Å; E411-K415 PolarHBondContact OE1-NZ 2.98Å; L412-K415 PolarHBondContact O-N 2.8Å; K415-R417 PolarHBondContact O-N 3.01Å; K415-L418 PolarHBondContact O-N 2.91Å; K415-Q419 WeakPolarHBondContact O-CB 3.46Å; K415-Q419 PolarHBondContact O-N 3.01Å
416K51.2Low50.4Low140 Ų140105.6 Ų105.661%0.60954%0.544SS*.Hα-helixtrans-62.4-40.9175.4-75.8-176.7178.1-177.50112.5L412 L414 Q419 A420L412-K416 PolarHBondContact O-N 2.94Å; L412-K416 VanDerWaalsContact O-N 3.08Å; L414-K416 PolarHBondContact O-N 3.32Å; K416-Q419 PolarHBondContact O-N 3.22Å; K416-A420 WeakPolarHBondContact O-CB 3.49Å; K416-A420 PolarHBondContact O-N 2.88Å
417R51.1Low51Low165 Ų165104.1 Ų104.162%0.62354%0.537SS*.Hα-helixtrans-67.6-40177-71.4-173.9-54.5172.74.6112.5G413 L414 K415 A420 A421G413-R417 WeakPolarHBondContact O-CG 3.45Å; G413-R417 PolarHBondContact O-N 3.04Å; G413-R417 VanDerWaalsContact O-N 3.14Å; L414-R417 PolarHBondContact O-N 3.32Å; K415-R417 PolarHBondContact O-N 3.01Å; R417-A420 PolarHBondContact O-N 3.43Å; R417-A421 WeakPolarHBondContact O-CB 3.49Å; R417-A421 PolarHBondContact O-N 3.26Å
418L50.7Low51.6Low112 Ų112105.7 Ų105.759%0.58654%0.542SS*.Hα-helixtrans-64.7-42176.4-173.766.7000111.3L414 K415 A420 A421 N422L414-L418 WeakPolarHBondContact O-CB 3.4Å; L414-L418 PolarHBondContact O-N 3.31Å; K415-L418 PolarHBondContact O-N 2.91Å; L418-A420 PolarHBondContact O-N 3.19Å; L418-A421 PolarHBondContact O-N 2.84Å; L418-N422 PolarHBondContact O-N 3.12Å
419Q51.7Low52.3Low134 Ų13499.7 Ų99.763%0.62653%0.525SS*.Hα-helixtrans-63.9-41.6176.2-165.31753.400111.8K415 K416 A421 N422 M423K415-Q419 WeakPolarHBondContact O-CB 3.46Å; K415-Q419 PolarHBondContact O-N 3.01Å; K416-Q419 PolarHBondContact O-N 3.22Å; Q419-A421 VanDerWaalsContact C-N 3.32Å; Q419-A421 PolarHBondContact O-N 3.4Å; Q419-N422 PolarHBondContact O-N 2.97Å; Q419-M423 VanDerWaalsContact O-CG 3.22Å; Q419-M423 WeakPolarHBondContact O-CG 3.37Å; Q419-M423 PolarHBondContact O-N 2.88Å
420A51.9Low52.9Low42 Ų42101.5 Ų101.535%0.34752%0.524SS..Hα-helixtrans-68-28.3174.500000113.4K416 R417 L418 R424K416-A420 WeakPolarHBondContact O-CB 3.49Å; K416-A420 PolarHBondContact O-N 2.88Å; R417-A420 PolarHBondContact O-N 3.43Å; L418-A420 PolarHBondContact O-N 3.19Å; A420-R424 WeakPolarHBondContact O-CG 3.33Å; A420-R424 PolarHBondContact O-N 3.48Å; A420-R424 PolarHBondContact O-NE 2.93Å
421A49.1Very low53.5Low45 Ų4598.5 Ų98.537%0.37252%0.515SS..Hα-helixtrans-73.4-43.7173.300000111.3R417 L418 Q419 M423 R424 A425R417-A421 WeakPolarHBondContact O-CB 3.49Å; R417-A421 PolarHBondContact O-N 3.26Å; L418-A421 PolarHBondContact O-N 2.84Å; Q419-A421 VanDerWaalsContact C-N 3.32Å; Q419-A421 PolarHBondContact O-N 3.4Å; A421-M423 PolarHBondContact O-N 3.13Å; A421-R424 PolarHBondContact O-N 3.42Å; A421-A425 PolarHBondContact O-N 3.01Å
422N54.8Low54Low98 Ų98100.2 Ų100.252%0.52452%0.523SS..Hα-helixtrans-63.8-40.7176.6-83.4-2000112.5L418 Q419 R424 A425 Q426L418-N422 PolarHBondContact O-N 3.12Å; Q419-N422 PolarHBondContact O-N 2.97Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 3.19Å; N422-A425 PolarHBondContact O-N 3.49Å; N422-Q426 PolarHBondContact O-N 3.35Å
423M56.9Low54.7Low128 Ų128104 Ų10463%0.63153%0.53SS*.Hα-helixtrans-61.7-38.6174.5-70.5-105.6-69.500111.8Q419 A421 A427Q419-M423 VanDerWaalsContact O-CG 3.22Å; Q419-M423 WeakPolarHBondContact O-CG 3.37Å; Q419-M423 PolarHBondContact O-N 2.88Å; A421-M423 PolarHBondContact O-N 3.13Å; M423-A427 WeakPolarHBondContact O-CB 3.48Å; M423-A427 PolarHBondContact O-N 3.01Å
424R57.8Low55.4Low164 Ų164107.4 Ų107.462%0.61954%0.54SS*.Hα-helixtrans-69.1-39.6175.5-78.9-177.4-80.5-170.3-1.9112.4A420 A421 N422 A427 L428A420-R424 WeakPolarHBondContact O-CG 3.33Å; A420-R424 PolarHBondContact O-N 3.48Å; A420-R424 PolarHBondContact O-NE 2.93Å; A421-R424 PolarHBondContact O-N 3.42Å; N422-R424 VanDerWaalsContact C-N 3.3Å; N422-R424 PolarHBondContact O-N 3.19Å; R424-A427 PolarHBondContact O-N 2.92Å; R424-L428 WeakPolarHBondContact O-CB 3.49Å; R424-L428 WeakPolarHBondContact O-CG 3.16Å; R424-L428 PolarHBondContact O-N 3.45Å
425A53.7Low55.7Low59 Ų59111.2 Ų111.249%0.48855%0.549SS..Hα-helixtrans-65.5-40.2175.900000111.9A421 N422 L428 G429A421-A425 PolarHBondContact O-N 3.01Å; N422-A425 PolarHBondContact O-N 3.49Å; A425-L428 PolarHBondContact O-N 2.88Å; A425-G429 PolarHBondContact O-N 3.32Å
426Q56.5Low55.8Low136 Ų136110.8 Ų110.864%0.63655%0.549SS*.Hα-helixtrans-65.1-44.6174.1-80.3-178.7-31.700112.1N422 L428 G429 E430N422-Q426 PolarHBondContact O-N 3.35Å; Q426-L428 VanDerWaalsContact C-N 3.31Å; Q426-L428 PolarHBondContact O-N 2.9Å; Q426-G429 PolarHBondContact O-N 3.02Å; Q426-E430 PolarHBondContact O-N 3.36Å
427A58.2Low55.9Low49 Ų49109.6 Ų109.641%0.40555%0.548SS..Hα-helixtrans-61.7-39176.300000112.1M423 R424 E430 V431M423-A427 WeakPolarHBondContact O-CB 3.48Å; M423-A427 PolarHBondContact O-N 3.01Å; R424-A427 PolarHBondContact O-N 2.92Å; A427-E430 PolarHBondContact O-N 3.33Å; A427-V431 VanDerWaalsContact O-CG2 3.24Å; A427-V431 WeakPolarHBondContact O-CG2 3.02Å; A427-V431 PolarHBondContact O-N 3.44Å
428L56.2Low55.9Low121 Ų121108 Ų10863%0.63455%0.546SS*.Hα-helixtrans-66.6-41.1174.6-76.7165.3000112R424 A425 Q426 E430 V431 E432R424-L428 WeakPolarHBondContact O-CB 3.49Å; R424-L428 WeakPolarHBondContact O-CG 3.16Å; R424-L428 PolarHBondContact O-N 3.45Å; A425-L428 PolarHBondContact O-N 2.88Å; Q426-L428 VanDerWaalsContact C-N 3.31Å; Q426-L428 PolarHBondContact O-N 2.9Å; L428-E430 PolarHBondContact O-N 3.35Å; L428-V431 PolarHBondContact O-N 3.24Å; L428-E432 WeakPolarHBondContact O-CB 3.49Å; L428-E432 PolarHBondContact O-N 2.9Å
429G61Low55.7Low34 Ų34105.4 Ų105.435%0.35154%0.537SS..Hα-helixtrans-64.6-35.5175.300000113.5A425 Q426 R433A425-G429 PolarHBondContact O-N 3.32Å; Q426-G429 PolarHBondContact O-N 3.02Å; G429-R433 PolarHBondContact O-N 3.5Å
430E60.7Low55.5Low128 Ų128106.2 Ų106.260%0.59853%0.534SS*.Hα-helixtrans-69.7-40.2173.3-76.8-171.1161.900112.3Q426 A427 L428 E432 R433 L434Q426-E430 PolarHBondContact O-N 3.36Å; A427-E430 PolarHBondContact O-N 3.33Å; L428-E430 PolarHBondContact O-N 3.35Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E430-R433 PolarHBondContact O-N 2.98Å; E430-L434 WeakPolarHBondContact O-CB 3.36Å; E430-L434 WeakPolarHBondContact O-CG 3.42Å; E430-L434 PolarHBondContact O-N 2.99Å
431V61.4Low55.4Low74 Ų74111.8 Ų111.845%0.44855%0.553SS.*Hα-helixtrans-63.2-41.4174.3170.50000110.8A427 L428 L434 Y435A427-V431 VanDerWaalsContact O-CG2 3.24Å; A427-V431 WeakPolarHBondContact O-CG2 3.02Å; A427-V431 PolarHBondContact O-N 3.44Å; L428-V431 PolarHBondContact O-N 3.24Å; V431-L434 PolarHBondContact O-N 3.47Å; V431-Y435 HydrophobicContact CG1-CD2 3.94Å; V431-Y435 HydrophobicContact CG1-CE2 4.23Å; V431-Y435 WeakPolarHBondContact O-CB 3.41Å; V431-Y435 WeakPolarHBondContact O-CD2 3.3Å; V431-Y435 PolarHBondContact O-N 3.47Å
432E58.3Low55.2Low127 Ų127116.3 Ų116.359%0.59357%0.57SS**Hα-helixtrans-66.9-40.9178.3-164.2168.7-157.600111.9L428 E430 Y435 Q436L428-E432 WeakPolarHBondContact O-CB 3.49Å; L428-E432 PolarHBondContact O-N 2.9Å; E430-E432 VanDerWaalsContact C-N 3.33Å; E432-Y435 PolarHBondContact O-N 3.35Å; E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 3.24Å
433R61.2Low54.9Low182 Ų182117.2 Ų117.269%0.68757%0.574SS**Hα-helixtrans-60.2-44.7170.1-92.2-169.4-165.1150.74.6112.7G429 E430 Y435 Q436 L437G429-R433 PolarHBondContact O-N 3.5Å; E430-R433 PolarHBondContact O-N 2.98Å; R433-Y435 VanDerWaalsContact C-N 3.28Å; R433-Y435 PolarHBondContact O-N 3.24Å; R433-Q436 PolarHBondContact O-N 3.41Å; R433-L437 WeakPolarHBondContact O-CB 3.42Å; R433-L437 PolarHBondContact O-N 3.41Å
434L59.6Low54.5Low104 Ų104114.4 Ų114.455%0.54558%0.578SS.*Hα-helixtrans-65.6-34.3179.2-76.5169.3000111.8E430 V431 K438E430-L434 WeakPolarHBondContact O-CB 3.36Å; E430-L434 WeakPolarHBondContact O-CG 3.42Å; E430-L434 PolarHBondContact O-N 2.99Å; V431-L434 PolarHBondContact O-N 3.47Å; L434-K438 WeakPolarHBondContact O-CB 3.39Å; L434-K438 WeakPolarHBondContact O-CG 3.29Å; L434-K438 PolarHBondContact O-N 3Å
435Y57.3Low54Low176 Ų176111.7 Ų111.769%0.6957%0.574SS**Hα-helixtrans-69.5-41.6173.3-101.8-87.8000112.3V431 E432 R433 K438 S439V431-Y435 HydrophobicContact CG1-CD2 3.94Å; V431-Y435 HydrophobicContact CG1-CE2 4.23Å; V431-Y435 WeakPolarHBondContact O-CB 3.41Å; V431-Y435 WeakPolarHBondContact O-CD2 3.3Å; V431-Y435 PolarHBondContact O-N 3.47Å; E432-Y435 PolarHBondContact O-N 3.35Å; R433-Y435 VanDerWaalsContact C-N 3.28Å; R433-Y435 PolarHBondContact O-N 3.24Å; Y435-K438 PolarHBondContact O-N 3.26Å; Y435-S439 WeakPolarHBondContact O-CB 3.38Å; Y435-S439 PolarHBondContact O-N 2.88Å
436Q52.6Low53.5Low109 Ų109123.3 Ų123.351%0.50961%0.605SS.*Hα-helixtrans-63.9-47.6174.8-73.9-171.6-3.400111.2E432 R433 K438 S439 W440E432-Q436 WeakPolarHBondContact O-CG 3.49Å; E432-Q436 PolarHBondContact O-N 3.24Å; R433-Q436 PolarHBondContact O-N 3.41Å; Q436-K438 VanDerWaalsContact C-N 3.34Å; Q436-K438 PolarHBondContact O-N 2.87Å; Q436-S439 WeakPolarHBondContact O-CB 3.28Å; Q436-S439 PolarHBondContact O-N 2.95Å; Q436-S439 VanDerWaalsContact O-N 3.12Å; Q436-W440 PolarHBondContact O-N 3.21Å
437L52.5Low53.4Low114 Ų114122.7 Ų122.760%0.59760%0.604SS**Hα-helixtrans-58.4-41.4176.2-96.9143000113.1R433 Q441R433-L437 WeakPolarHBondContact O-CB 3.42Å; R433-L437 PolarHBondContact O-N 3.41Å; L437-Q441 PolarHBondContact O-N 3.39Å; L437-Q441 VanDerWaalsContact O-N 3.15Å
438K51.8Low53.1Low133 Ų133126.6 Ų126.658%0.57861%0.614SS**Hα-helixtrans-71.3-34.9175.4-78-179176.8179.20112.8L434 Y435 Q436 W440 Q441 I442L434-K438 WeakPolarHBondContact O-CB 3.39Å; L434-K438 WeakPolarHBondContact O-CG 3.29Å; L434-K438 PolarHBondContact O-N 3Å; Y435-K438 PolarHBondContact O-N 3.26Å; Q436-K438 VanDerWaalsContact C-N 3.34Å; Q436-K438 PolarHBondContact O-N 2.87Å; K438-W440 VanDerWaalsContact C-N 3.33Å; K438-Q441 PolarHBondContact O-N 2.88Å; K438-I442 WeakPolarHBondContact O-CB 3.39Å; K438-I442 WeakPolarHBondContact O-CD1 3.43Å; K438-I442 WeakPolarHBondContact O-CG1 3.49Å; K438-I442 PolarHBondContact O-N 3.43Å
439S46.2Very low52.9Low56 Ų56126.9 Ų126.939%0.39261%0.613SS.*Hα-helixtrans-64.5-38.7175.2179.50000111.5Y435 Q436 I442 L443Y435-S439 WeakPolarHBondContact O-CB 3.38Å; Y435-S439 PolarHBondContact O-N 2.88Å; Q436-S439 WeakPolarHBondContact O-CB 3.28Å; Q436-S439 PolarHBondContact O-N 2.95Å; Q436-S439 VanDerWaalsContact O-N 3.12Å; S439-I442 PolarHBondContact O-N 3.39Å; S439-L443 WeakPolarHBondContact O-CG 3.44Å; S439-L443 PolarHBondContact O-N 2.96Å; S439-L443 VanDerWaalsContact O-N 3.09Å
440W47.8Very low52.5Low152 Ų152132.4 Ų132.458%0.57663%0.629SS**Hα-helixtrans-69.3-39.5176.9-72.544.1000111.8Q436 K438 I442 L443 G444Q436-W440 PolarHBondContact O-N 3.21Å; K438-W440 VanDerWaalsContact C-N 3.33Å; W440-I442 PolarHBondContact O-N 3.29Å; W440-L443 PolarHBondContact O-N 2.97Å; W440-G444 PolarHBondContact O-N 2.95Å
441Q49.1Very low51.9Low158 Ų158132.6 Ų132.674%0.73863%0.631SS**Hα-helixtrans-64.4-34.8172.2-80-178.6-22.500113.4L437 K438L437-Q441 PolarHBondContact O-N 3.39Å; L437-Q441 VanDerWaalsContact O-N 3.15Å; K438-Q441 PolarHBondContact O-N 2.88Å
442I45.9Very low51.3Low141 Ų141136.5 Ų136.572%0.72364%0.643SS**Hα-helixtrans-74.5-28.1178.5-70.1165.8000111.9K438 S439 W440K438-I442 WeakPolarHBondContact O-CB 3.39Å; K438-I442 WeakPolarHBondContact O-CD1 3.43Å; K438-I442 WeakPolarHBondContact O-CG1 3.49Å; K438-I442 PolarHBondContact O-N 3.43Å; S439-I442 PolarHBondContact O-N 3.39Å; W440-I442 PolarHBondContact O-N 3.29Å
443L48.6Very low50.8Low117 Ų117137.2 Ų137.261%0.61365%0.646SS**Hα-helixtrans-88.8-4.9178.7-70.6168.3000114.1S439 W440 I445S439-L443 WeakPolarHBondContact O-CG 3.44Å; S439-L443 PolarHBondContact O-N 2.96Å; S439-L443 VanDerWaalsContact O-N 3.09Å; W440-L443 PolarHBondContact O-N 2.97Å; L443-I445 VanDerWaalsContact C-N 3.25Å; L443-I445 HydrophobicContact CB-CD1 4.23Å; L443-I445 HydrophobicContact CB-CG1 4.29Å; L443-I445 PolarHBondContact O-N 2.74Å
444G48.3Very low50Low69 Ų69133.8 Ų133.871%0.71164%0.643SS**THydrogen-bonded Turntrans68.319.4175.600000115W440W440-G444 PolarHBondContact O-N 2.95Å
445I46.4Very low49.2Very low107 Ų107136.3 Ų136.355%0.54965%0.652SS.*  trans-89117.9177-57.4173.7000106.9L443L443-I445 VanDerWaalsContact C-N 3.25Å; L443-I445 HydrophobicContact CB-CD1 4.23Å; L443-I445 HydrophobicContact CB-CG1 4.29Å; L443-I445 PolarHBondContact O-N 2.74Å
446R44Very low48.5Very low303 Ų303132.6 Ų132.6100%1.14365%0.648SS**  trans-72.30174.3-85.3-169.9-178-172.21.2111.7

Retrieved 446 of 446 residues in 1103.8 ms (Link to these results)

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