A0A3Q0KVF6_SCHMA Loading...

Retinol dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A3Q0KVF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M69.7Low89.4Confident205 Ų20581 Ų81100%1.0146%0.458SS*.  0153.70-77.4-178.2-87.100108.8E3 Q84M1-E3 PolarHBondContact O-N 3.36Å; M1-Q84 HydrophobicContact SD-CB 4.41Å; M1-Q84 PolarHBondContact SD-OE1 2.87Å; M1-Q84 VanDerWaalsContact SD-OE1 3.34Å
2S89.5Confident90Very high77 Ų7774.3 Ų74.354%0.53842%0.42SS..  trans-67.1131.2177.3-175.40000110.9T4 Q84S2-T4 WeakPolarHBondContact CB-O 3.35Å; S2-T4 PolarHBondContact O-N 3.27Å; S2-T4 PolarHBondContact OG-N 2.69Å; S2-T4 PolarHBondContact OG-O 3.28Å; S2-Q84 PolarHBondContact O-NE2 3.42Å
3E94.8Very high90.6Very high64 Ų6468.9 Ų68.930%0.29939%0.39SS..SBendtrans-70.9-14174-66.9-170.4-176.800112.7M1 C13 I14 Y275 S279 N281M1-E3 PolarHBondContact O-N 3.36Å; E3-C13 WeakPolarHBondContact O-CA 3.26Å; E3-C13 WeakPolarHBondContact O-CB 3.29Å; E3-C13 PolarHBondContact O-N 3.43Å; E3-I14 HydrophobicContact CB-CD1 4.25Å; E3-I14 HydrophobicContact CB-CG1 3.84Å; E3-I14 HydrophobicContact CG-CD1 4.37Å; E3-I14 HydrophobicContact CG-CG1 3.99Å; E3-Y275 HydrophobicContact CB-CE2 4.11Å; E3-Y275 VanDerWaalsContact OE2-CE2 3.32Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.42Å; E3-Y275 PolarHBondContact OE2-OH 3.15Å; E3-S279 PolarHBondContact OE2-OG 3Å; E3-N281 PolarHBondContact OE1-ND2 3.25Å
4T96Very high91Very high28 Ų2865.6 Ų65.617%0.17237%0.37CS..EExtended strand (participates in β ladder)trans-140.4159.5-178.866.80000112.9S2 S11 Y275 C291S2-T4 WeakPolarHBondContact CB-O 3.35Å; S2-T4 PolarHBondContact O-N 3.27Å; S2-T4 PolarHBondContact OG-N 2.69Å; S2-T4 PolarHBondContact OG-O 3.28Å; T4-S11 CarbonylContact C-O 3.55Å; T4-S11 WeakPolarHBondContact CA-O 3.38Å; T4-S11 WeakPolarHBondContact CB-O 3.32Å; T4-Y275 HydrophobicContact CG2-CD2 3.98Å; T4-Y275 HydrophobicContact CG2-CE2 3.93Å; T4-C291 HydrophobicContact CG2-CB 3.44Å; T4-C291 VanDerWaalsContact CG2-CB 3.44Å
5T95.1Very high91.4Very high62 Ų6264.8 Ų64.838%0.3837%0.371SS..EExtended strand (participates in β ladder)trans-132.8163.3171.1-170.60000111.1K10 S11 A81T5-K10 CarbonylContact O-C 3.45Å; T5-K10 VanDerWaalsContact O-CA 3.22Å; T5-K10 WeakPolarHBondContact O-CA 3.48Å; T5-S11 PolarHBondContact N-O 3.09Å; T5-S11 PolarHBondContact O-N 3.06Å; T5-A81 HydrophobicContact CG2-CB 4.33Å; T5-A81 WeakPolarHBondContact CG2-O 3.38Å
6G92.3Very high91.7Very high34 Ų3465.1 Ų65.135%0.35137%0.367SS..  trans101161.3-178.600000113.6K10G6-K10 VanDerWaalsContact O-CD 3.27Å; G6-K10 WeakPolarHBondContact O-CD 3.1Å; G6-K10 VanDerWaalsContact O-CE 3.25Å; G6-K10 WeakPolarHBondContact O-CE 3.34Å; G6-K10 PolarHBondContact O-NZ 2.96Å
7T84.4Confident92.1Very high130 Ų13066 Ų6680%0.79836%0.363SS*.SBendtrans-101.1-70.2-177.650.30000111.3
8C84.3Confident92.4Very high96 Ų9662.6 Ų62.665%0.64934%0.344SS*.SBendtrans-76.3-43.3-178.8-56.10000112N290C8-N290 PolarHBondContact O-ND2 2.79Å; C8-N290 VanDerWaalsContact O-ND2 3.08Å
9Y87.9Confident92.8Very high108 Ų10864.2 Ų64.242%0.42435%0.352SS..SBendtrans-121.4123.5176.7-61.8-77.1000109.4L264 N290Y9-L264 HydrophobicContact CD1-CD1 3.79Å; Y9-L264 HydrophobicContact CD1-CD2 3.78Å; Y9-L264 HydrophobicContact CD1-CG 4.28Å; Y9-L264 HydrophobicContact CD2-CD2 3.88Å; Y9-L264 HydrophobicContact CE1-CD1 3.89Å; Y9-L264 HydrophobicContact CE1-CD2 3.89Å; Y9-L264 HydrophobicContact CE1-CG 4.16Å; Y9-L264 HydrophobicContact CE2-CD2 3.99Å; Y9-L264 HydrophobicContact CG-CD2 3.76Å; Y9-N290 WeakPolarHBondContact CA-OD1 3.16Å
10K93.8Very high93Very high72 Ų7264 Ų6431%0.31337%0.365SS..  trans-85.6140-179.3-62.2-66.4-177.8174.20109.9T5 G6 N290 C291T5-K10 CarbonylContact O-C 3.45Å; T5-K10 VanDerWaalsContact O-CA 3.22Å; T5-K10 WeakPolarHBondContact O-CA 3.48Å; G6-K10 VanDerWaalsContact O-CD 3.27Å; G6-K10 WeakPolarHBondContact O-CD 3.1Å; G6-K10 VanDerWaalsContact O-CE 3.25Å; G6-K10 WeakPolarHBondContact O-CE 3.34Å; G6-K10 PolarHBondContact O-NZ 2.96Å; K10-N290 WeakPolarHBondContact CB-O 3.06Å; K10-N290 WeakPolarHBondContact CG-O 3.14Å; K10-N290 PolarHBondContact N-OD1 3.14Å; K10-C291 HydrophobicContact CB-CB 3.97Å
11S95.5Very high93.3Very high15 Ų1564.2 Ų64.211%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-115144.2169.9-60.50000109.6T4 T5T4-S11 CarbonylContact C-O 3.55Å; T4-S11 WeakPolarHBondContact CA-O 3.38Å; T4-S11 WeakPolarHBondContact CB-O 3.32Å; T5-S11 PolarHBondContact N-O 3.09Å; T5-S11 PolarHBondContact O-N 3.06Å
12C96.7Very high94.7Very high1 Ų154.7 Ų54.71%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-74.5126.6-177.2-177.10000110.2A81 L274C12-A81 WeakPolarHBondContact O-CB 3.46Å; C12-L274 HydrophobicContact CB-CB 4.5Å; C12-L274 HydrophobicContact CB-CD2 4.3Å; C12-L274 HydrophobicContact CB-CG 4.39Å
13C97.2Very high95.1Very high4 Ų451 Ų513%0.02729%0.289CS..  trans-114.810.5-177.3-90.80000113.3E3 S15 C82 Q84E3-C13 WeakPolarHBondContact O-CA 3.26Å; E3-C13 WeakPolarHBondContact O-CB 3.29Å; E3-C13 PolarHBondContact O-N 3.43Å; C13-S15 PolarHBondContact O-N 2.86Å; C13-C82 WeakPolarHBondContact CA-SG 3.27Å; C13-C82 HydrophobicContact CB-CB 4.38Å; C13-C82 WeakPolarHBondContact CB-SG 3.37Å; C13-C82 WeakPolarHBondContact SG-CB 3.44Å; C13-C82 CovalentContact SG-SG 2.03Å; C13-C82 PolarHBondContact SG-SG 3.01Å; C13-Q84 PolarHBondContact O-NE2 2.9Å
14I97.4Very high95.3Very high22 Ų2248 Ų4811%0.11328%0.275CS..  trans-70.5119.6177.5-59.3167.7000108.7E3 K16 Y275 L278E3-I14 HydrophobicContact CB-CD1 4.25Å; E3-I14 HydrophobicContact CB-CG1 3.84Å; E3-I14 HydrophobicContact CG-CD1 4.37Å; E3-I14 HydrophobicContact CG-CG1 3.99Å; I14-K16 HydrophobicContact CG2-CB 3.95Å; I14-K16 PolarHBondContact O-N 3.08Å; I14-Y275 HydrophobicContact CD1-CD2 3.86Å; I14-Y275 HydrophobicContact CD1-CE2 4.02Å; I14-L278 HydrophobicContact CB-CB 3.98Å; I14-L278 HydrophobicContact CB-CD1 4.27Å; I14-L278 HydrophobicContact CD1-CB 4.07Å; I14-L278 HydrophobicContact CG2-CB 3.77Å
15S95.9Very high95.4Very high54 Ų5446.6 Ų46.638%0.37827%0.267SS..  trans-95.987.8176.8-165.80000108.9C13 Q84 S87 S88C13-S15 PolarHBondContact O-N 2.86Å; S15-Q84 WeakPolarHBondContact CB-O 3.37Å; S15-Q84 PolarHBondContact OG-O 3.07Å; S15-S87 PolarHBondContact OG-OG 3.29Å; S15-S87 VanDerWaalsContact OG-OG 3.12Å; S15-S88 WeakPolarHBondContact OG-CB 3.38Å
16K96.9Very high95.6Very high70 Ų7043.7 Ų43.730%0.30425%0.249SC..  trans-135.5130.8-177.5-177.5173.7-172.7173.40109.8I14 R43 L278 D280I14-K16 HydrophobicContact CG2-CB 3.95Å; I14-K16 PolarHBondContact O-N 3.08Å; K16-R43 WeakPolarHBondContact O-CD 3.46Å; K16-L278 HydrophobicContact CB-CD2 4.26Å; K16-D280 IonicContact NZ-OD1 3.46Å; K16-D280 PolarHBondContact NZ-OD1 3.19Å; K16-D280 IonicContact NZ-OD2 3.73Å
17R98.2Very high95.8Very high80 Ų8043 Ų4330%0.30224%0.242SC..  trans-81.1153.6172.3-71.8-61.5-60.4178.8-6.9111.2D19 R42 R43 S88 S90R17-D19 WeakPolarHBondContact CB-OD2 3.2Å; R17-D19 IonicContact CZ-OD1 2.75Å; R17-D19 IonicContact CZ-OD2 3.57Å; R17-D19 IonicContact NE-OD1 3.52Å; R17-D19 IonicContact NE-OD2 2.73Å; R17-D19 PolarHBondContact NE-OD2 2.91Å; R17-D19 IonicContact NH2-OD1 3.54Å; R17-D19 PolarHBondContact NH2-OD1 3.03Å; R17-D19 IonicContact NH2-OD2 3.53Å; R17-D19 PolarHBondContact NH2-OD2 3.18Å; R17-R42 PolarHBondContact NH1-O 2.73Å; R17-R43 PolarHBondContact NE-O 2.9Å; R17-R43 VanDerWaalsContact NE-O 3.13Å; R17-R43 PolarHBondContact NH1-O 3.32Å; R17-R43 PolarHBondContact NH2-O 3.18Å; R17-S88 WeakPolarHBondContact CD-O 3.08Å; R17-S88 PolarHBondContact NH1-O 3.39Å; R17-S90 PolarHBondContact NH1-OG 3.25Å; R17-S90 PolarHBondContact NH2-OG 3.35Å
18L98.6Very high96.4Very high5 Ų536.8 Ų36.83%0.02620%0.204CC..  trans-126.325.8-179.9-59.6179.4000110.9G20 K21 L40 R43 G44 A45 F126 V277 L278L18-G20 PolarHBondContact O-N 3.12Å; L18-K21 HydrophobicContact CB-CB 4.28Å; L18-K21 HydrophobicContact CB-CG 4.34Å; L18-K21 VanDerWaalsContact O-CB 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.23Å; L18-K21 WeakPolarHBondContact O-CG 3.34Å; L18-K21 PolarHBondContact O-N 3.05Å; L18-L40 HydrophobicContact CD1-CB 4.4Å; L18-L40 HydrophobicContact CD1-CD2 3.5Å; L18-L40 VanDerWaalsContact CD1-CD2 3.5Å; L18-R43 WeakPolarHBondContact CA-O 3.15Å; L18-R43 HydrophobicContact CB-CB 4.19Å; L18-R43 HydrophobicContact CD1-CB 4.04Å; L18-R43 HydrophobicContact CG-CB 3.98Å; L18-R43 PolarHBondContact N-O 3.2Å; L18-G44 CarbonylContact O-C 3.32Å; L18-A45 HydrophobicContact CB-CB 3.87Å; L18-A45 HydrophobicContact CD1-CB 4.31Å; L18-A45 WeakPolarHBondContact O-CA 3.28Å; L18-A45 PolarHBondContact O-N 2.71Å; L18-F126 HydrophobicContact CD1-CE2 4.45Å; L18-F126 HydrophobicContact CD2-CE2 3.92Å; L18-F126 HydrophobicContact CD2-CZ 3.91Å; L18-V277 HydrophobicContact CD1-CG1 4.14Å; L18-L278 HydrophobicContact CD1-CD2 4.1Å; L18-L278 HydrophobicContact CD2-CD2 3.99Å; L18-L278 HydrophobicContact CG-CD2 4.16Å
19D98.3Very high96.9Very high93 Ų9334.2 Ų34.250%0.49718%0.184SC..THydrogen-bonded Turntrans-55.7137.2175.3-60.8-62.5000110.6R17 K21 G44R17-D19 WeakPolarHBondContact CB-OD2 3.2Å; R17-D19 IonicContact CZ-OD1 2.75Å; R17-D19 IonicContact CZ-OD2 3.57Å; R17-D19 IonicContact NE-OD1 3.52Å; R17-D19 IonicContact NE-OD2 2.73Å; R17-D19 PolarHBondContact NE-OD2 2.91Å; R17-D19 IonicContact NH2-OD1 3.54Å; R17-D19 PolarHBondContact NH2-OD1 3.03Å; R17-D19 IonicContact NH2-OD2 3.53Å; R17-D19 PolarHBondContact NH2-OD2 3.18Å; D19-K21 PolarHBondContact O-N 3.12Å; D19-G44 WeakPolarHBondContact OD1-CA 3.43Å
20G97.8Very high97.3Very high59 Ų5933.6 Ų33.661%0.60819%0.191SC*.THydrogen-bonded Turntrans712.9-175.400000114.8L18L18-G20 PolarHBondContact O-N 3.12Å
21K98.6Very high97.2Very high69 Ų6931.4 Ų31.430%0.319%0.189SC..  trans-94.1143.3177.3-53.6-63170.6-172.20111.7L18 D19 A45 R46 H125 F126L18-K21 HydrophobicContact CB-CB 4.28Å; L18-K21 HydrophobicContact CB-CG 4.34Å; L18-K21 VanDerWaalsContact O-CB 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.23Å; L18-K21 WeakPolarHBondContact O-CG 3.34Å; L18-K21 PolarHBondContact O-N 3.05Å; D19-K21 PolarHBondContact O-N 3.12Å; K21-A45 WeakPolarHBondContact O-CA 3.49Å; K21-R46 PolarHBondContact O-N 2.86Å; K21-H125 HydrophobicContact CB-CB 4.31Å; K21-H125 HydrophobicContact CD-CB 4.13Å; K21-H125 WeakPolarHBondContact CD-CD2 3.46Å; K21-H125 WeakPolarHBondContact CD-NE2 3.43Å; K21-H125 PolarHBondContact NZ-CD2 3.18Å; K21-H125 PolarHBondContact NZ-NE2 2.65Å; K21-F126 HydrophobicContact CB-CD2 4.43Å; K21-F126 HydrophobicContact CB-CE2 3.84Å; K21-F126 HydrophobicContact CG-CE2 4.19Å
22L98.9Very high97.2Very high5 Ų532 Ų323%0.02619%0.19CC..EExtended strand (participates in β ladder)trans-110.6130.3174.3-172.869.7000109.8R46 I48 Y121 E123 L124 H125 F126L22-R46 WeakPolarHBondContact CA-O 3.22Å; L22-R46 HydrophobicContact CD1-CB 3.67Å; L22-I48 HydrophobicContact CD1-CD1 4.2Å; L22-I48 HydrophobicContact CD1-CG1 4.02Å; L22-I48 HydrophobicContact CD2-CD1 4.09Å; L22-I48 HydrophobicContact CG-CD1 4.39Å; L22-Y121 HydrophobicContact CD1-CD1 4.4Å; L22-Y121 HydrophobicContact CD1-CE1 4.46Å; L22-Y121 HydrophobicContact CD2-CD1 3.6Å; L22-Y121 HydrophobicContact CD2-CD2 4.34Å; L22-Y121 HydrophobicContact CD2-CE1 4.34Å; L22-Y121 HydrophobicContact CD2-CG 3.61Å; L22-E123 WeakPolarHBondContact CD2-O 3.4Å; L22-L124 HydrophobicContact CD2-CD1 4.44Å; L22-L124 HydrophobicContact CG-CD1 4.39Å; L22-H125 PolarHBondContact N-ND1 2.87Å; L22-H125 WeakPolarHBondContact O-CB 3.46Å; L22-H125 PolarHBondContact O-N 2.94Å; L22-F126 PolarHBondContact O-N 2.78Å; L22-F126 VanDerWaalsContact O-N 3.15Å
23A98.9Very high97.2Very high0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-123.3143.2175.700000111.3L40 R46 V47 I48 F126 I128A23-L40 HydrophobicContact CB-CD1 3.79Å; A23-R46 PolarHBondContact N-O 3.46Å; A23-V47 CarbonylContact O-C 3.58Å; A23-V47 WeakPolarHBondContact O-CA 3.3Å; A23-I48 PolarHBondContact O-N 3.47Å; A23-F126 CarbonylContact C-O 3.57Å; A23-F126 VanDerWaalsContact CA-O 3.25Å; A23-F126 WeakPolarHBondContact CA-O 3.4Å; A23-F126 HydrophobicContact CB-CB 3.88Å; A23-F126 HydrophobicContact CB-CD2 4.23Å; A23-I128 HydrophobicContact CB-CD1 4.1Å
24I98.9Very high97.2Very high0 Ų033 Ų330%020%0.196CC..EExtended strand (participates in β ladder)trans-104.3128.2162.5-68.4166.7000107.7T26 I48 A50 F113 I117 L124 F126 L127 I128 L163I24-T26 HydrophobicContact CG2-CG2 4.27Å; I24-I48 HydrophobicContact CG1-CB 3.9Å; I24-I48 HydrophobicContact CG1-CD1 4.02Å; I24-I48 HydrophobicContact CG1-CG1 4.38Å; I24-I48 HydrophobicContact CG1-CG2 4.3Å; I24-A50 HydrophobicContact CG2-CB 3.99Å; I24-F113 HydrophobicContact CD1-CE1 4.14Å; I24-F113 HydrophobicContact CD1-CZ 4.1Å; I24-F113 HydrophobicContact CG1-CZ 4.5Å; I24-F113 HydrophobicContact CG2-CZ 4.12Å; I24-I117 HydrophobicContact CD1-CG1 4.34Å; I24-I117 HydrophobicContact CD1-CG2 4.09Å; I24-L124 HydrophobicContact CB-CD1 4.33Å; I24-L124 HydrophobicContact CD1-CD1 3.77Å; I24-L124 HydrophobicContact CD1-CD2 3.63Å; I24-L124 HydrophobicContact CD1-CG 4.36Å; I24-L124 HydrophobicContact CG1-CD1 3.72Å; I24-L124 HydrophobicContact CG1-CD2 4.46Å; I24-F126 PolarHBondContact N-O 3.09Å; I24-L127 HydrophobicContact CB-CD1 3.98Å; I24-L127 HydrophobicContact CG2-CD1 3.91Å; I24-I128 WeakPolarHBondContact O-CD1 3.42Å; I24-I128 PolarHBondContact O-N 2.78Å; I24-L163 HydrophobicContact CD1-CD1 3.86Å; I24-L163 HydrophobicContact CD1-CD2 4.5Å
25V98.9Very high97.2Very high0 Ų033 Ų330%020%0.196CC..EExtended strand (participates in β ladder)trans-120.3111171.5-173.40000108.9S28 T36 A37 L40 V47 I48 A50 I128 N130V25-S28 WeakPolarHBondContact O-CB 3.1Å; V25-S28 PolarHBondContact O-OG 3.07Å; V25-T36 HydrophobicContact CG1-CG2 4.46Å; V25-T36 HydrophobicContact CG2-CG2 4.33Å; V25-A37 HydrophobicContact CG2-CB 4.43Å; V25-L40 HydrophobicContact CG2-CD1 3.97Å; V25-V47 HydrophobicContact CB-CG1 4.45Å; V25-V47 HydrophobicContact CG2-CG1 3.84Å; V25-I48 PolarHBondContact N-O 2.81Å; V25-A50 PolarHBondContact O-N 2.83Å; V25-I128 HydrophobicContact CB-CB 4.48Å; V25-I128 HydrophobicContact CG1-CB 4.32Å; V25-I128 HydrophobicContact CG1-CG2 4.33Å; V25-I128 HydrophobicContact CG2-CB 4.16Å; V25-I128 HydrophobicContact CG2-CD1 4.02Å; V25-I128 HydrophobicContact CG2-CG1 4.3Å; V25-N130 HydrophobicContact CG1-CB 4.33Å
26T98.7Very high97.4Very high1 Ų130.5 Ų30.51%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-76.6140.1179.2650000111.3I24 S28 A50 L102 I128 N130 A131 L159I24-T26 HydrophobicContact CG2-CG2 4.27Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 2.78Å; T26-A50 CarbonylContact C-O 3.57Å; T26-A50 WeakPolarHBondContact CA-O 3.36Å; T26-A50 HydrophobicContact CG2-CB 4.41Å; T26-L102 HydrophobicContact CG2-CD2 3.76Å; T26-I128 PolarHBondContact N-O 2.84Å; T26-I128 PolarHBondContact OG1-O 2.68Å; T26-N130 WeakPolarHBondContact O-CB 3.47Å; T26-N130 PolarHBondContact O-ND2 2.82Å; T26-N130 PolarHBondContact OG1-N 3.07Å; T26-A131 PolarHBondContact O-N 3.37Å; T26-A131 VanDerWaalsContact O-N 3.09Å; T26-A131 VanDerWaalsContact OG1-CB 3.31Å; T26-A131 WeakPolarHBondContact OG1-CB 3.32Å; T26-A131 PolarHBondContact OG1-N 2.77Å; T26-L159 HydrophobicContact CG2-CD2 3.68Å
27G96.6Very high97.5Very high19 Ų1927.1 Ų27.120%0.19616%0.164CC..THydrogen-bonded Turntrans64.937.2179.800000112.8N29 A50G27-N29 VanDerWaalsContact C-N 3.31Å; G27-N29 PolarHBondContact O-N 3.35Å; G27-A50 PolarHBondContact N-O 2.98Å
28S97.3Very high97.5Very high0 Ų023.4 Ų23.40%015%0.15CC..THydrogen-bonded Turntrans-87.510.9-174.442.60000114.4V25 T26 T30 L34 M49V25-S28 WeakPolarHBondContact O-CB 3.1Å; V25-S28 PolarHBondContact O-OG 3.07Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 2.78Å; S28-T30 VanDerWaalsContact C-N 3.31Å; S28-L34 VanDerWaalsContact O-CA 3.28Å; S28-L34 WeakPolarHBondContact O-CA 3.45Å; S28-L34 WeakPolarHBondContact O-CB 2.98Å; S28-L34 WeakPolarHBondContact O-CD1 3.41Å; S28-M49 VanDerWaalsContact O-CE 3.27Å; S28-M49 WeakPolarHBondContact O-CE 3.47Å; S28-M49 WeakPolarHBondContact OG-CA 3.33Å; S28-M49 WeakPolarHBondContact OG-CB 3.33Å
29N95.1Very high97.5Very high42 Ų4223.3 Ų23.323%0.22515%0.15CC..THydrogen-bonded Turntrans-82-6.6174.166.3-75.2000113.5G27 C51 A57 A60G27-N29 VanDerWaalsContact C-N 3.31Å; G27-N29 PolarHBondContact O-N 3.35Å; N29-C51 HydrophobicContact CB-CB 4.39Å; N29-C51 PolarHBondContact N-SG 3.12Å; N29-C51 VanDerWaalsContact N-SG 3.43Å; N29-A57 HydrophobicContact CB-CB 4.37Å; N29-A60 HydrophobicContact CB-CB 4.22Å; N29-A60 WeakPolarHBondContact O-CB 3.4Å
30T94.4Very high97.5Very high94 Ų9418.9 Ų18.958%0.57713%0.126SC*.SBendtrans-159.3171.6177.3-170.20000112.2S28 G33 L34S28-T30 VanDerWaalsContact C-N 3.31Å; T30-G33 PolarHBondContact O-N 3.01Å; T30-L34 PolarHBondContact O-N 3.12Å; T30-L34 VanDerWaalsContact O-N 3.07Å
31G93.2Very high97.5Very high26 Ų2616.1 Ų16.127%0.26810%0.097SC..Hα-helixtrans57.1-140.816700000114.3G33 L34 V35G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 3.29Å; G31-L34 PolarHBondContact O-N 3.41Å; G31-V35 PolarHBondContact O-N 2.96Å
32I94.7Very high97.5Very high27 Ų2712.8 Ų12.814%0.1388%0.083CC..Hα-helixtrans-62.5-37.5-176.4-58.7167000110.9V35 T36 P236 V239 A270I32-V35 PolarHBondContact O-N 2.86Å; I32-T36 WeakPolarHBondContact O-CB 3.43Å; I32-T36 PolarHBondContact O-N 3.25Å; I32-T36 PolarHBondContact O-OG1 3.17Å; I32-P236 HydrophobicContact CD1-CB 3.69Å; I32-P236 HydrophobicContact CD1-CG 3.83Å; I32-V239 HydrophobicContact CD1-CB 4.22Å; I32-V239 HydrophobicContact CD1-CG1 4.24Å; I32-V239 HydrophobicContact CD1-CG2 3.77Å; I32-V239 HydrophobicContact CG1-CG1 4.22Å; I32-V239 HydrophobicContact CG1-CG2 4.28Å; I32-A270 HydrophobicContact CG2-CB 4.07Å
33G96.6Very high97.5Very high0 Ų012.6 Ų12.60%08%0.082CC..Hα-helixtrans-62.9-44.5178.900000112.1T30 G31 T36 A37 N130T30-G33 PolarHBondContact O-N 3.01Å; G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 3.29Å; G33-T36 PolarHBondContact O-N 2.78Å; G33-A37 WeakPolarHBondContact O-CB 3.19Å; G33-A37 PolarHBondContact O-N 3.35Å; G33-N130 WeakPolarHBondContact CA-ND2 3.13Å; G33-N130 PolarHBondContact N-ND2 3.05Å; G33-N130 PolarHBondContact N-OD1 2.83Å
34L97.9Very high97.5Very high28 Ų2813.1 Ų13.115%0.1479%0.087CC..Hα-helixtrans-62.1-45.3177-17862.2000111.8S28 T30 G31 A37 S38 M49 A60 L64S28-L34 VanDerWaalsContact O-CA 3.28Å; S28-L34 WeakPolarHBondContact O-CA 3.45Å; S28-L34 WeakPolarHBondContact O-CB 2.98Å; S28-L34 WeakPolarHBondContact O-CD1 3.41Å; T30-L34 PolarHBondContact O-N 3.12Å; T30-L34 VanDerWaalsContact O-N 3.07Å; G31-L34 PolarHBondContact O-N 3.41Å; L34-A37 PolarHBondContact O-N 3.26Å; L34-S38 PolarHBondContact O-N 3.42Å; L34-M49 HydrophobicContact CD1-CE 3.95Å; L34-A60 HydrophobicContact CD1-CB 3.83Å; L34-A60 HydrophobicContact CD2-CB 4.45Å; L34-L64 HydrophobicContact CD1-CD1 3.62Å; L34-L64 HydrophobicContact CD1-CD2 3.89Å; L34-L64 HydrophobicContact CD1-CG 3.68Å; L34-L64 HydrophobicContact CG-CD2 4.03Å; L34-L64 HydrophobicContact CG-CG 4.38Å
35V97.9Very high97.5Very high21 Ų2113.1 Ų13.113%0.1279%0.087CC..Hα-helixtrans-65.8-42.6177.4-179.90000111G31 I32 A37 S38 E39 P266 W267 A270G31-V35 PolarHBondContact O-N 2.96Å; I32-V35 PolarHBondContact O-N 2.86Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 3.19Å; V35-S38 WeakPolarHBondContact CA-OG 3.12Å; V35-S38 PolarHBondContact O-N 3.32Å; V35-S38 VanDerWaalsContact O-N 3.15Å; V35-S38 PolarHBondContact O-OG 3.1Å; V35-E39 HydrophobicContact CG1-CG 4.06Å; V35-E39 WeakPolarHBondContact O-CG 3.41Å; V35-E39 PolarHBondContact O-N 3.02Å; V35-P266 HydrophobicContact CG2-CB 3.81Å; V35-W267 HydrophobicContact CG1-CB 4.21Å; V35-W267 HydrophobicContact CG1-CG 4.32Å; V35-A270 HydrophobicContact CB-CB 4.14Å; V35-A270 HydrophobicContact CG1-CB 3.94Å
36T98.6Very high97.5Very high1 Ų118.7 Ų18.71%0.00611%0.108CC..Hα-helixtrans-57.7-48.8176.5-57.40000110.4V25 I32 G33 S38 E39 L40 I128 T273V25-T36 HydrophobicContact CG1-CG2 4.46Å; V25-T36 HydrophobicContact CG2-CG2 4.33Å; I32-T36 WeakPolarHBondContact O-CB 3.43Å; I32-T36 PolarHBondContact O-N 3.25Å; I32-T36 PolarHBondContact O-OG1 3.17Å; G33-T36 PolarHBondContact O-N 2.78Å; T36-S38 VanDerWaalsContact C-N 3.3Å; T36-S38 PolarHBondContact O-N 3.02Å; T36-E39 PolarHBondContact O-N 2.78Å; T36-L40 HydrophobicContact CG2-CD1 4.13Å; T36-L40 HydrophobicContact CG2-CG 4.4Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.2Å; T36-L40 PolarHBondContact O-N 3.49Å; T36-I128 HydrophobicContact CG2-CG1 4.45Å; T36-I128 HydrophobicContact CG2-CG2 4.34Å; T36-T273 HydrophobicContact CG2-CG2 3.91Å
37A98.8Very high97.5Very high0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-56.4-44.817600000112V25 G33 L34 V35 L40 A41 V47 M49V25-A37 HydrophobicContact CG2-CB 4.43Å; G33-A37 WeakPolarHBondContact O-CB 3.19Å; G33-A37 PolarHBondContact O-N 3.35Å; L34-A37 PolarHBondContact O-N 3.26Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 3.19Å; A37-L40 PolarHBondContact O-N 2.72Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.88Å; A37-V47 HydrophobicContact CB-CG1 3.82Å; A37-M49 HydrophobicContact CB-CG 4.46Å
38S98.5Very high97.6Very high1 Ų117.8 Ų17.81%0.00710%0.098CC..Hα-helixtrans-64-41.5177.476.80000113.2L34 V35 T36 L40 A41 R42L34-S38 PolarHBondContact O-N 3.42Å; V35-S38 WeakPolarHBondContact CA-OG 3.12Å; V35-S38 PolarHBondContact O-N 3.32Å; V35-S38 VanDerWaalsContact O-N 3.15Å; V35-S38 PolarHBondContact O-OG 3.1Å; T36-S38 VanDerWaalsContact C-N 3.3Å; T36-S38 PolarHBondContact O-N 3.02Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact O-N 3.24Å; S38-A41 PolarHBondContact O-N 3.45Å; S38-R42 WeakPolarHBondContact O-CB 3.42Å; S38-R42 WeakPolarHBondContact O-CD 3.34Å; S38-R42 WeakPolarHBondContact O-CG 3.37Å; S38-R42 PolarHBondContact O-N 2.99Å
39E98.5Very high97.7Very high4 Ų417.8 Ų17.82%0.01910%0.098CC..Hα-helixtrans-68.1-34.4-179.1-75.7-64.2125.200112.2V35 T36 R42 R43 L274V35-E39 HydrophobicContact CG1-CG 4.06Å; V35-E39 WeakPolarHBondContact O-CG 3.41Å; V35-E39 PolarHBondContact O-N 3.02Å; T36-E39 PolarHBondContact O-N 2.78Å; E39-R42 IonicContact OE1-CZ 2.65Å; E39-R42 IonicContact OE1-NH1 3.92Å; E39-R42 PolarHBondContact OE1-NH1 3.25Å; E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.29Å; E39-R43 PolarHBondContact O-NH1 3.13Å; E39-R43 IonicContact OE2-CZ 3.84Å; E39-R43 IonicContact OE2-NH1 2.76Å; E39-R43 PolarHBondContact OE2-NH1 2.92Å; E39-R43 IonicContact OE2-NH2 2.68Å; E39-L274 HydrophobicContact CB-CD1 4.01Å; E39-L274 HydrophobicContact CB-CD2 4.2Å; E39-L274 HydrophobicContact CG-CD2 4.19Å
40L98.8Very high97.9Very high0 Ų015.8 Ų15.80%09%0.088CC..Hα-helixtrans-71.6-45.6174.5-62179.8000111.3L18 A23 V25 T36 A37 S38 R43 G44 A45 V47 I128 L274 V277L18-L40 HydrophobicContact CD1-CB 4.4Å; L18-L40 HydrophobicContact CD1-CD2 3.5Å; L18-L40 VanDerWaalsContact CD1-CD2 3.5Å; A23-L40 HydrophobicContact CB-CD1 3.79Å; V25-L40 HydrophobicContact CG2-CD1 3.97Å; T36-L40 HydrophobicContact CG2-CD1 4.13Å; T36-L40 HydrophobicContact CG2-CG 4.4Å; T36-L40 VanDerWaalsContact O-CG 3.27Å; T36-L40 WeakPolarHBondContact O-CG 3.2Å; T36-L40 PolarHBondContact O-N 3.49Å; A37-L40 PolarHBondContact O-N 2.72Å; S38-L40 VanDerWaalsContact C-N 3.34Å; S38-L40 PolarHBondContact O-N 3.24Å; L40-R43 CarbonylContact O-C 3.6Å; L40-R43 WeakPolarHBondContact O-CA 3.49Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 2.82Å; L40-G44 PolarHBondContact O-N 2.82Å; L40-A45 HydrophobicContact CB-CB 4.16Å; L40-A45 WeakPolarHBondContact O-CB 3.48Å; L40-A45 PolarHBondContact O-N 3.2Å; L40-A45 VanDerWaalsContact O-N 3.12Å; L40-V47 HydrophobicContact CB-CG2 3.81Å; L40-I128 HydrophobicContact CD1-CD1 3.92Å; L40-L274 HydrophobicContact CD2-CD1 4.32Å; L40-V277 HydrophobicContact CD2-CB 4.23Å; L40-V277 HydrophobicContact CD2-CG1 3.6Å; L40-V277 HydrophobicContact CD2-CG2 4.34Å
41A98.8Very high98Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-65.4-41.3178.600000112.2A37 S38 R43 G44 V47 I92 Q96 L97A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 2.88Å; S38-A41 PolarHBondContact O-N 3.45Å; A41-R43 PolarHBondContact O-N 3.36Å; A41-R43 VanDerWaalsContact O-N 3.13Å; A41-G44 PolarHBondContact O-N 3.12Å; A41-V47 HydrophobicContact CB-CG2 4.1Å; A41-I92 HydrophobicContact CB-CD1 4.01Å; A41-I92 HydrophobicContact CB-CG1 4.02Å; A41-I92 HydrophobicContact CB-CG2 4.04Å; A41-Q96 HydrophobicContact CB-CB 4.48Å; A41-Q96 PolarHBondContact O-NE2 2.75Å; A41-L97 HydrophobicContact CB-CD2 3.78Å
42R98.4Very high98.1Very high0 Ų017 Ų170%07%0.074CC..THydrogen-bonded Turntrans-60.2-22.4171.5-70.3168.577.6-15811.5112.3R17 S38 E39 S75 I78 D79 L89 S90 I92R17-R42 PolarHBondContact NH1-O 2.73Å; S38-R42 WeakPolarHBondContact O-CB 3.42Å; S38-R42 WeakPolarHBondContact O-CD 3.34Å; S38-R42 WeakPolarHBondContact O-CG 3.37Å; S38-R42 PolarHBondContact O-N 2.99Å; E39-R42 IonicContact OE1-CZ 2.65Å; E39-R42 IonicContact OE1-NH1 3.92Å; E39-R42 PolarHBondContact OE1-NH1 3.25Å; R42-S75 PolarHBondContact NH2-O 2.8Å; R42-I78 PolarHBondContact NH1-O 3.44Å; R42-I78 PolarHBondContact NH2-O 3.39Å; R42-D79 PolarHBondContact NH1-O 3Å; R42-L89 HydrophobicContact CB-CD2 4.04Å; R42-L89 CarbonylContact O-C 3.59Å; R42-L89 WeakPolarHBondContact O-CA 3.3Å; R42-S90 WeakPolarHBondContact CA-O 3.25Å; R42-S90 PolarHBondContact O-N 2.66Å; R42-S90 PolarHBondContact O-OG 2.81Å; R42-I92 HydrophobicContact CG-CD1 3.9Å; R42-I92 HydrophobicContact CG-CG1 3.64Å
43R98.5Very high98.2Very high1 Ų119 Ų190%0.0049%0.085CC..THydrogen-bonded Turntrans-90.47.1172.5-75.9171.6179.971.2-1.4114K16 R17 L18 E39 L40 A41 L89K16-R43 WeakPolarHBondContact O-CD 3.46Å; R17-R43 PolarHBondContact NE-O 2.9Å; R17-R43 VanDerWaalsContact NE-O 3.13Å; R17-R43 PolarHBondContact NH1-O 3.32Å; R17-R43 PolarHBondContact NH2-O 3.18Å; L18-R43 WeakPolarHBondContact CA-O 3.15Å; L18-R43 HydrophobicContact CB-CB 4.19Å; L18-R43 HydrophobicContact CD1-CB 4.04Å; L18-R43 HydrophobicContact CG-CB 3.98Å; L18-R43 PolarHBondContact N-O 3.2Å; E39-R43 WeakPolarHBondContact O-CG 3.33Å; E39-R43 PolarHBondContact O-N 3.29Å; E39-R43 PolarHBondContact O-NH1 3.13Å; E39-R43 IonicContact OE2-CZ 3.84Å; E39-R43 IonicContact OE2-NH1 2.76Å; E39-R43 PolarHBondContact OE2-NH1 2.92Å; E39-R43 IonicContact OE2-NH2 2.68Å; L40-R43 CarbonylContact O-C 3.6Å; L40-R43 WeakPolarHBondContact O-CA 3.49Å; L40-R43 WeakPolarHBondContact O-CB 3.5Å; L40-R43 PolarHBondContact O-N 2.82Å; A41-R43 PolarHBondContact O-N 3.36Å; A41-R43 VanDerWaalsContact O-N 3.13Å; R43-L89 HydrophobicContact CG-CD2 3.98Å; R43-L89 VanDerWaalsContact NH1-CD2 3.29Å
44G98.4Very high98.3Very high10 Ų1021.8 Ų21.810%0.10310%0.099CC..THydrogen-bonded Turntrans93.9-3.317500000115.4L18 D19 L40 A41L18-G44 CarbonylContact O-C 3.32Å; D19-G44 WeakPolarHBondContact OD1-CA 3.43Å; L40-G44 PolarHBondContact O-N 2.82Å; A41-G44 PolarHBondContact O-N 3.12Å
45A98.8Very high98.3Very high0 Ų024.1 Ų24.10%012%0.118CC..  trans-66.7150176.700000110.6L18 K21 L40 V47 Q96L18-A45 HydrophobicContact CB-CB 3.87Å; L18-A45 HydrophobicContact CD1-CB 4.31Å; L18-A45 WeakPolarHBondContact O-CA 3.28Å; L18-A45 PolarHBondContact O-N 2.71Å; K21-A45 WeakPolarHBondContact O-CA 3.49Å; L40-A45 HydrophobicContact CB-CB 4.16Å; L40-A45 WeakPolarHBondContact O-CB 3.48Å; L40-A45 PolarHBondContact O-N 3.2Å; L40-A45 VanDerWaalsContact O-N 3.12Å; A45-V47 HydrophobicContact CB-CG2 4.24Å; A45-Q96 PolarHBondContact O-NE2 2.88Å
46R98.8Very high98.2Very high118 Ų11828.8 Ų28.845%0.44514%0.136SC..EExtended strand (participates in β ladder)trans-82.8134.3155.8-66.8173.366.3-159.23.7107.8K21 L22 A23 Q96K21-R46 PolarHBondContact O-N 2.86Å; L22-R46 WeakPolarHBondContact CA-O 3.22Å; L22-R46 HydrophobicContact CD1-CB 3.67Å; A23-R46 PolarHBondContact N-O 3.46Å; R46-Q96 CarbonylContact C-O 3.44Å
47V98.9Very high98.2Very high0 Ų028.7 Ų28.70%014%0.136CC..EExtended strand (participates in β ladder)trans-126.6117.6-174.2-173.20000109.5A23 V25 A37 L40 A41 A45 M49 Q96 L97 I98A23-V47 CarbonylContact O-C 3.58Å; A23-V47 WeakPolarHBondContact O-CA 3.3Å; V25-V47 HydrophobicContact CB-CG1 4.45Å; V25-V47 HydrophobicContact CG2-CG1 3.84Å; A37-V47 HydrophobicContact CB-CG1 3.82Å; L40-V47 HydrophobicContact CB-CG2 3.81Å; A41-V47 HydrophobicContact CB-CG2 4.1Å; A45-V47 HydrophobicContact CB-CG2 4.24Å; V47-M49 PolarHBondContact O-N 3.4Å; V47-Q96 PolarHBondContact N-O 2.86Å; V47-L97 HydrophobicContact CB-CD2 4.21Å; V47-I98 PolarHBondContact O-N 3.15Å
48I98.9Very high98.1Very high0 Ų032.4 Ų32.40%015%0.153CC..EExtended strand (participates in β ladder)trans-81.6107.8168.1-57.4-178.5000107.8L22 A23 I24 V25 A50 I98 E100 F113 I117 Y121L22-I48 HydrophobicContact CD1-CD1 4.2Å; L22-I48 HydrophobicContact CD1-CG1 4.02Å; L22-I48 HydrophobicContact CD2-CD1 4.09Å; L22-I48 HydrophobicContact CG-CD1 4.39Å; A23-I48 PolarHBondContact O-N 3.47Å; I24-I48 HydrophobicContact CG1-CB 3.9Å; I24-I48 HydrophobicContact CG1-CD1 4.02Å; I24-I48 HydrophobicContact CG1-CG1 4.38Å; I24-I48 HydrophobicContact CG1-CG2 4.3Å; V25-I48 PolarHBondContact N-O 2.81Å; I48-A50 PolarHBondContact O-N 2.84Å; I48-A50 VanDerWaalsContact O-N 3.11Å; I48-I98 CarbonylContact C-O 3.51Å; I48-I98 VanDerWaalsContact CA-O 3.3Å; I48-I98 WeakPolarHBondContact CA-O 3.33Å; I48-I98 HydrophobicContact CG1-CB 4.44Å; I48-E100 HydrophobicContact CG2-CB 3.77Å; I48-E100 HydrophobicContact CG2-CG 3.8Å; I48-F113 HydrophobicContact CG2-CE2 4.37Å; I48-F113 HydrophobicContact CG2-CZ 4.38Å; I48-I117 HydrophobicContact CD1-CD1 3.73Å; I48-I117 HydrophobicContact CG2-CD1 4.36Å; I48-Y121 HydrophobicContact CD1-CD2 3.9Å; I48-Y121 HydrophobicContact CD1-CE1 4.43Å; I48-Y121 HydrophobicContact CD1-CE2 3.56Å
49M98.8Very high98.1Very high0 Ų037.1 Ų37.10%018%0.178CC..EExtended strand (participates in β ladder)trans-79.181.9173.8-63.1-178.970.500109.9S28 L34 A37 V47 C51 A60 K61 L97 I98 I99 E100S28-M49 VanDerWaalsContact O-CE 3.27Å; S28-M49 WeakPolarHBondContact O-CE 3.47Å; S28-M49 WeakPolarHBondContact OG-CA 3.33Å; S28-M49 WeakPolarHBondContact OG-CB 3.33Å; L34-M49 HydrophobicContact CD1-CE 3.95Å; A37-M49 HydrophobicContact CB-CG 4.46Å; V47-M49 PolarHBondContact O-N 3.4Å; M49-C51 PolarHBondContact O-N 3.13Å; M49-A60 HydrophobicContact CE-CB 4.3Å; M49-K61 HydrophobicContact SD-CB 4.21Å; M49-L97 HydrophobicContact SD-CB 4.05Å; M49-L97 HydrophobicContact SD-CD1 4.29Å; M49-L97 HydrophobicContact SD-CD2 4.13Å; M49-L97 HydrophobicContact SD-CG 4.39Å; M49-I98 PolarHBondContact N-O 2.82Å; M49-I99 HydrophobicContact CB-CG1 4.29Å; M49-E100 PolarHBondContact O-N 3.02Å
50A98.8Very high98.1Very high1 Ų137.2 Ų37.21%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-78.4108.4-177.100000111.1I24 V25 T26 G27 I48 E100 L102 F113I24-A50 HydrophobicContact CG2-CB 3.99Å; V25-A50 PolarHBondContact O-N 2.83Å; T26-A50 CarbonylContact C-O 3.57Å; T26-A50 WeakPolarHBondContact CA-O 3.36Å; T26-A50 HydrophobicContact CG2-CB 4.41Å; G27-A50 PolarHBondContact N-O 2.98Å; I48-A50 PolarHBondContact O-N 2.84Å; I48-A50 VanDerWaalsContact O-N 3.11Å; A50-E100 WeakPolarHBondContact CA-O 3.41Å; A50-L102 HydrophobicContact CB-CB 4.07Å; A50-L102 HydrophobicContact CB-CD2 3.78Å; A50-F113 HydrophobicContact CB-CE2 3.67Å; A50-F113 HydrophobicContact CB-CZ 3.77Å
51C97.7Very high98.1Very high1 Ų138.6 Ų38.61%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-137.1149.6-170.6-61.40000112.2N29 M49 A57 E100 Q101 L102N29-C51 HydrophobicContact CB-CB 4.39Å; N29-C51 PolarHBondContact N-SG 3.12Å; N29-C51 VanDerWaalsContact N-SG 3.43Å; M49-C51 PolarHBondContact O-N 3.13Å; C51-A57 HydrophobicContact CB-CB 3.79Å; C51-E100 PolarHBondContact N-O 3.41Å; C51-Q101 WeakPolarHBondContact O-CA 3.42Å; C51-L102 CarbonylContact C-O 3.47Å; C51-L102 VanDerWaalsContact C-O 3.32Å; C51-L102 PolarHBondContact O-N 2.75Å
52R95.7Very high98.1Very high143 Ų14342.8 Ų42.854%0.5421%0.209SC..SBendtrans-70.1-41.4177.3-177.4175.465.8179.20.7112.9L102 D103R52-L102 VanDerWaalsContact CA-O 3.24Å; R52-L102 WeakPolarHBondContact CA-O 3.28Å; R52-L102 PolarHBondContact N-O 3.23Å; R52-L102 VanDerWaalsContact N-O 3.15Å; R52-D103 VanDerWaalsContact CD-CG 3.41Å; R52-D103 WeakPolarHBondContact CD-OD1 3.5Å; R52-D103 VanDerWaalsContact CD-OD2 3.27Å; R52-D103 WeakPolarHBondContact CD-OD2 3.36Å; R52-D103 HydrophobicContact CG-CB 4Å
53N96.1Very high98.1Very high69 Ų6945.2 Ų45.237%0.36923%0.225SC..  trans-109.2111.7-177.3-177.1-50.5000109.5S55 K56 A57N53-S55 PolarHBondContact OD1-N 3.32Å; N53-S55 VanDerWaalsContact OD1-N 3.13Å; N53-K56 HydrophobicContact CB-CB 4.23Å; N53-K56 HydrophobicContact CB-CD 4.31Å; N53-K56 HydrophobicContact CB-CG 4.32Å; N53-K56 PolarHBondContact O-N 3.02Å; N53-K56 PolarHBondContact OD1-N 3.13Å; N53-A57 PolarHBondContact O-N 2.89Å; N53-A57 VanDerWaalsContact O-N 3.13Å
54I98Very high98.1Very high60 Ų6045.5 Ų45.531%0.30823%0.227SC..Hα-helixtrans-64.7-45.6-177.1-62.5-57.5000111.9K56 A57 E58 I99 Q101I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 2.83Å; I54-A57 CarbonylContact O-C 3.54Å; I54-A57 WeakPolarHBondContact O-CA 3.35Å; I54-A57 WeakPolarHBondContact O-CB 3.28Å; I54-A57 PolarHBondContact O-N 2.92Å; I54-E58 HydrophobicContact CG2-CG 4.33Å; I54-E58 WeakPolarHBondContact O-CG 3.17Å; I54-E58 PolarHBondContact O-N 3.48Å; I54-I99 HydrophobicContact CD1-CG2 3.65Å; I54-I99 HydrophobicContact CG2-CG2 4.25Å; I54-Q101 HydrophobicContact CD1-CB 3.76Å; I54-Q101 HydrophobicContact CD1-CG 4.14Å; I54-Q101 HydrophobicContact CG1-CB 4.25Å; I54-Q101 HydrophobicContact CG1-CG 4.25Å
55S98.1Very high98.1Very high76 Ų7646.7 Ų46.753%0.53123%0.231SC..Hα-helixtrans-57.3-44.9178.8162.20000111.9N53 A57 E58 D59N53-S55 PolarHBondContact OD1-N 3.32Å; N53-S55 VanDerWaalsContact OD1-N 3.13Å; S55-A57 VanDerWaalsContact C-N 3.28Å; S55-A57 PolarHBondContact O-N 3.36Å; S55-E58 PolarHBondContact O-N 2.71Å; S55-D59 PolarHBondContact O-N 3.49Å
56K96.8Very high98.1Very high119 Ų11954.2 Ų54.252%0.51727%0.266SS..Hα-helixtrans-65.9-30174.9-69.2-174.2178.7-176.50113.1N53 I54 A60N53-K56 HydrophobicContact CB-CB 4.23Å; N53-K56 HydrophobicContact CB-CD 4.31Å; N53-K56 HydrophobicContact CB-CG 4.32Å; N53-K56 PolarHBondContact O-N 3.02Å; N53-K56 PolarHBondContact OD1-N 3.13Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 2.83Å; K56-A60 VanDerWaalsContact O-CB 3.3Å; K56-A60 WeakPolarHBondContact O-CB 2.91Å; K56-A60 PolarHBondContact O-N 3.34Å; K56-A60 VanDerWaalsContact O-N 3.13Å
57A97.4Very high98Very high0 Ų052.9 Ų52.90%026%0.263CS..Hα-helixtrans-72.5-3817600000111.4N29 C51 N53 I54 S55 A60 K61 I99N29-A57 HydrophobicContact CB-CB 4.37Å; C51-A57 HydrophobicContact CB-CB 3.79Å; N53-A57 PolarHBondContact O-N 2.89Å; N53-A57 VanDerWaalsContact O-N 3.13Å; I54-A57 CarbonylContact O-C 3.54Å; I54-A57 WeakPolarHBondContact O-CA 3.35Å; I54-A57 WeakPolarHBondContact O-CB 3.28Å; I54-A57 PolarHBondContact O-N 2.92Å; S55-A57 VanDerWaalsContact C-N 3.28Å; S55-A57 PolarHBondContact O-N 3.36Å; A57-A60 PolarHBondContact O-N 3.13Å; A57-K61 WeakPolarHBondContact O-CB 3.4Å; A57-K61 PolarHBondContact O-N 2.86Å; A57-I99 HydrophobicContact CB-CD1 4.16Å; A57-I99 HydrophobicContact CB-CG1 4.13Å; A57-I99 HydrophobicContact CB-CG2 3.85Å
58E98.5Very high98Very high77 Ų7753.2 Ų53.236%0.3627%0.265SS..Hα-helixtrans-63.3-47.2173.5-69.1-65.1169.900111.4I54 S55 A60 K61 N62 I99I54-E58 HydrophobicContact CG2-CG 4.33Å; I54-E58 WeakPolarHBondContact O-CG 3.17Å; I54-E58 PolarHBondContact O-N 3.48Å; S55-E58 PolarHBondContact O-N 2.71Å; E58-A60 VanDerWaalsContact C-N 3.26Å; E58-A60 PolarHBondContact O-N 3.33Å; E58-K61 PolarHBondContact O-N 3.03Å; E58-N62 WeakPolarHBondContact O-CB 3.42Å; E58-N62 VanDerWaalsContact O-CG 3.29Å; E58-N62 PolarHBondContact O-N 3.22Å; E58-N62 PolarHBondContact O-ND2 3.26Å; E58-I99 HydrophobicContact CB-CD1 4.29Å; E58-I99 HydrophobicContact CG-CD1 3.81Å; E58-I99 VanDerWaalsContact OE1-CD1 3.28Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.4Å; E58-I99 VanDerWaalsContact OE2-CD1 3.28Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.41Å
59D98.4Very high98Very high100 Ų10053.2 Ų53.254%0.53527%0.265SS..Hα-helixtrans-57-43.6174.8-65.7-22.6000111.2S55 N62 S63S55-D59 PolarHBondContact O-N 3.49Å; D59-N62 PolarHBondContact O-N 3.36Å; D59-S63 PolarHBondContact O-N 2.03Å
60A98.2Very high97.9Very high6 Ų655.6 Ų55.65%0.0528%0.284CS..Hα-helixtrans-65.7-44178.300000111.9N29 L34 M49 K56 A57 E58 S63 L64N29-A60 HydrophobicContact CB-CB 4.22Å; N29-A60 WeakPolarHBondContact O-CB 3.4Å; L34-A60 HydrophobicContact CD1-CB 3.83Å; L34-A60 HydrophobicContact CD2-CB 4.45Å; M49-A60 HydrophobicContact CE-CB 4.3Å; K56-A60 VanDerWaalsContact O-CB 3.3Å; K56-A60 WeakPolarHBondContact O-CB 2.91Å; K56-A60 PolarHBondContact O-N 3.34Å; K56-A60 VanDerWaalsContact O-N 3.13Å; A57-A60 PolarHBondContact O-N 3.13Å; E58-A60 VanDerWaalsContact C-N 3.26Å; E58-A60 PolarHBondContact O-N 3.33Å; A60-S63 PolarHBondContact O-N 2.75Å; A60-S63 PolarHBondContact O-OG 2.89Å; A60-L64 WeakPolarHBondContact O-CG 3.14Å; A60-L64 PolarHBondContact O-N 3.33Å; A60-L64 VanDerWaalsContact O-N 3.07Å
61K98.7Very high97.7Very high29 Ų2963.3 Ų63.313%0.12633%0.325CS..Hα-helixtrans-57.9-48.2173.9172.8176.8173.3169.80111M49 A57 E58 S63 L64 L65 S94 L97 I99M49-K61 HydrophobicContact SD-CB 4.21Å; A57-K61 WeakPolarHBondContact O-CB 3.4Å; A57-K61 PolarHBondContact O-N 2.86Å; E58-K61 PolarHBondContact O-N 3.03Å; K61-S63 VanDerWaalsContact C-N 3.32Å; K61-S63 PolarHBondContact O-N 3.01Å; K61-L64 WeakPolarHBondContact O-CB 3.26Å; K61-L64 PolarHBondContact O-N 3.15Å; K61-L64 VanDerWaalsContact O-N 3.12Å; K61-L65 HydrophobicContact CG-CD1 4.06Å; K61-L65 WeakPolarHBondContact O-CG 3.13Å; K61-L65 PolarHBondContact O-N 3.49Å; K61-S94 WeakPolarHBondContact CE-O 3.25Å; K61-S94 WeakPolarHBondContact CE-OG 3.48Å; K61-S94 PolarHBondContact NZ-O 2.95Å; K61-S94 PolarHBondContact NZ-OG 3.13Å; K61-L97 HydrophobicContact CD-CB 4.03Å; K61-L97 WeakPolarHBondContact CE-O 3.37Å; K61-L97 HydrophobicContact CG-CB 4Å; K61-L97 HydrophobicContact CG-CD1 4.02Å; K61-L97 PolarHBondContact NZ-O 3.34Å; K61-I99 HydrophobicContact CB-CD1 3.95Å; K61-I99 HydrophobicContact CD-CD1 3.78Å; K61-I99 HydrophobicContact CD-CG1 4.38Å
62N98.5Very high97.7Very high89 Ų8966 Ų6648%0.47634%0.34SS..Hα-helixtrans-60-42.6178.3-70-28.5000111.5E58 D59 L64 L65 E66E58-N62 WeakPolarHBondContact O-CB 3.42Å; E58-N62 VanDerWaalsContact O-CG 3.29Å; E58-N62 PolarHBondContact O-N 3.22Å; E58-N62 PolarHBondContact O-ND2 3.26Å; D59-N62 PolarHBondContact O-N 3.36Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; N62-L65 PolarHBondContact O-N 3.37Å; N62-E66 PolarHBondContact O-N 3.43Å
63S98.3Very high97.6Very high51 Ų5162.9 Ų62.936%0.35734%0.338SS..Hα-helixtrans-61.9-35.1175.979.20000113.2D59 A60 K61 K67D59-S63 PolarHBondContact O-N 2.03Å; A60-S63 PolarHBondContact O-N 2.75Å; A60-S63 PolarHBondContact O-OG 2.89Å; K61-S63 VanDerWaalsContact C-N 3.32Å; K61-S63 PolarHBondContact O-N 3.01Å; S63-K67 VanDerWaalsContact O-CB 3.28Å; S63-K67 WeakPolarHBondContact O-CB 3.48Å; S63-K67 PolarHBondContact O-N 3.04Å
64L98.4Very high97.6Very high7 Ų767.5 Ų67.54%0.03736%0.355CS..Hα-helixtrans-70.5-39.1174.9-68.7-171.5000112.1L34 A60 K61 N62 K67 Y68 I92 L97L34-L64 HydrophobicContact CD1-CD1 3.62Å; L34-L64 HydrophobicContact CD1-CD2 3.89Å; L34-L64 HydrophobicContact CD1-CG 3.68Å; L34-L64 HydrophobicContact CG-CD2 4.03Å; L34-L64 HydrophobicContact CG-CG 4.38Å; A60-L64 WeakPolarHBondContact O-CG 3.14Å; A60-L64 PolarHBondContact O-N 3.33Å; A60-L64 VanDerWaalsContact O-N 3.07Å; K61-L64 WeakPolarHBondContact O-CB 3.26Å; K61-L64 PolarHBondContact O-N 3.15Å; K61-L64 VanDerWaalsContact O-N 3.12Å; N62-L64 VanDerWaalsContact C-N 3.3Å; N62-L64 PolarHBondContact O-N 2.91Å; L64-K67 PolarHBondContact O-N 3.47Å; L64-Y68 HydrophobicContact CD2-CD2 4.02Å; L64-Y68 HydrophobicContact CD2-CE2 3.94Å; L64-Y68 WeakPolarHBondContact O-CA 3.35Å; L64-Y68 PolarHBondContact O-N 3.43Å; L64-I92 HydrophobicContact CB-CD1 4.43Å; L64-L97 HydrophobicContact CB-CD1 3.97Å; L64-L97 HydrophobicContact CD1-CD1 3.86Å
65L98.5Very high97.5Very high35 Ų3564.7 Ų64.718%0.18334%0.341CS..Hα-helixtrans-70.2-35.6178.7-66.9173.5000111.9K61 N62 G69 I92 L97K61-L65 HydrophobicContact CG-CD1 4.06Å; K61-L65 WeakPolarHBondContact O-CG 3.13Å; K61-L65 PolarHBondContact O-N 3.49Å; N62-L65 PolarHBondContact O-N 3.37Å; L65-G69 WeakPolarHBondContact O-CA 3.48Å; L65-G69 PolarHBondContact O-N 3.03Å; L65-I92 HydrophobicContact CD2-CB 4.4Å; L65-I92 HydrophobicContact CD2-CG2 3.88Å; L65-L97 HydrophobicContact CD2-CD1 4.44Å
66E98.1Very high97.4Very high158 Ų15862.2 Ų62.274%0.73832%0.322SS*.Hα-helixtrans-64.8-47.6171.3-174.7-177.8-178.300111N62N62-E66 PolarHBondContact O-N 3.43Å
67K98.1Very high97.3Very high89 Ų8961.5 Ų61.539%0.38732%0.324SS..Hα-helixtrans-74.9-44.7-174.4-172.2175178.4-163.40113.6S63 L64 N72 S75 I78 D79S63-K67 VanDerWaalsContact O-CB 3.28Å; S63-K67 WeakPolarHBondContact O-CB 3.48Å; S63-K67 PolarHBondContact O-N 3.04Å; L64-K67 PolarHBondContact O-N 3.47Å; K67-N72 PolarHBondContact O-ND2 3.41Å; K67-S75 WeakPolarHBondContact O-CB 3.41Å; K67-I78 HydrophobicContact CG-CD1 4.12Å; K67-D79 VanDerWaalsContact CE-OD2 3.29Å; K67-D79 WeakPolarHBondContact CE-OD2 3.27Å; K67-D79 IonicContact NZ-OD2 2.84Å; K67-D79 PolarHBondContact NZ-OD2 2.75Å
68Y98.4Very high97.2Very high7 Ų764.8 Ų64.83%0.02734%0.341CS..Hα-helixtrans-121.10.9-171.4-53.1-69.5000114.1L64 S75 I78 D79 P91 I92L64-Y68 HydrophobicContact CD2-CD2 4.02Å; L64-Y68 HydrophobicContact CD2-CE2 3.94Å; L64-Y68 WeakPolarHBondContact O-CA 3.35Å; L64-Y68 PolarHBondContact O-N 3.43Å; Y68-S75 WeakPolarHBondContact CA-OG 3.47Å; Y68-S75 PolarHBondContact O-OG 3.4Å; Y68-I78 HydrophobicContact CD1-CD1 4.19Å; Y68-I78 HydrophobicContact CD1-CG1 4.31Å; Y68-I78 HydrophobicContact CE1-CD1 3.79Å; Y68-I78 HydrophobicContact CE1-CG1 3.92Å; Y68-D79 HydrophobicContact CE1-CB 4.4Å; Y68-D79 PolarHBondContact OH-OD2 3.45Å; Y68-P91 CarbonylContact O-C 3.4Å; Y68-P91 VanDerWaalsContact O-CA 3.23Å; Y68-P91 WeakPolarHBondContact O-CA 3.32Å; Y68-I92 HydrophobicContact CD2-CD1 4.23Å; Y68-I92 HydrophobicContact CG-CD1 4.4Å; Y68-I92 PolarHBondContact O-N 2.91Å
69G97.9Very high97.1Very high1 Ų163.6 Ų63.61%0.0134%0.337CS..BIsolated β-bridgetrans-80.1-180-172.600000114.4L65 N71 N72 I92L65-G69 WeakPolarHBondContact O-CA 3.48Å; L65-G69 PolarHBondContact O-N 3.03Å; G69-N71 PolarHBondContact O-N 3.1Å; G69-N71 VanDerWaalsContact O-N 3.08Å; G69-N72 CarbonylContact O-C 3.57Å; G69-N72 PolarHBondContact O-N 3Å; G69-I92 WeakPolarHBondContact CA-O 3.43Å
70A96.4Very high97Very high49 Ų4960.6 Ų60.641%0.40532%0.322SS..THydrogen-bonded Turntrans-54.6-28.5-176.900000114.5N72 I92 Y93A70-N72 PolarHBondContact O-N 2.97Å; A70-I92 PolarHBondContact N-O 3.17Å; A70-Y93 HydrophobicContact CB-CD1 4.11Å; A70-Y93 HydrophobicContact CB-CE1 3.82Å
71N96.3Very high96.8Very high163 Ų16361.4 Ų61.487%0.87233%0.329SS*.THydrogen-bonded Turntrans-74-11.4176.5-65.9-19.4000113.4G69G69-N71 PolarHBondContact O-N 3.1Å; G69-N71 VanDerWaalsContact O-N 3.08Å
72N96.8Very high96.6Very high58 Ų5861.3 Ų61.331%0.3133%0.332SS..  trans-128.568.7175.7-172.17.1000111K67 G69 A70 K74 S75K67-N72 PolarHBondContact O-ND2 3.41Å; G69-N72 CarbonylContact O-C 3.57Å; G69-N72 PolarHBondContact O-N 3Å; A70-N72 PolarHBondContact O-N 2.97Å; N72-K74 PolarHBondContact O-N 2.92Å; N72-K74 VanDerWaalsContact O-N 3.14Å; N72-S75 WeakPolarHBondContact O-CB 3.4Å; N72-S75 PolarHBondContact O-N 2.73Å; N72-S75 PolarHBondContact O-OG 3.34Å
73P94.3Very high96.4Very high78 Ų7866.5 Ų66.551%0.50635%0.35SS..G310 helixtrans-64.4-22.7-17525.9-34.7000113.5S75 V76 P91P73-S75 PolarHBondContact O-N 2.63Å; P73-V76 WeakPolarHBondContact O-CG2 3.34Å; P73-P91 HydrophobicContact CB-CG 4.28Å
74K96Very high96.2Very high166 Ų16667.2 Ų67.272%0.72235%0.348SS*.G310 helixtrans-69.8-14.9175.9-65.9-177.3-179.2177.50112.9N72 V76 N77N72-K74 PolarHBondContact O-N 2.92Å; N72-K74 VanDerWaalsContact O-N 3.14Å; K74-V76 PolarHBondContact O-N 3.36Å; K74-V76 VanDerWaalsContact O-N 3.09Å; K74-N77 PolarHBondContact O-N 3.2Å; K74-N77 PolarHBondContact O-ND2 3.33Å
75S95.3Very high96.1Very high1 Ų167 Ų671%0.00735%0.347CS..G310 helixtrans-60.9-15.5179.368.10000114.2R42 K67 Y68 N72 P73 N77 I78R42-S75 PolarHBondContact NH2-O 2.8Å; K67-S75 WeakPolarHBondContact O-CB 3.41Å; Y68-S75 WeakPolarHBondContact CA-OG 3.47Å; Y68-S75 PolarHBondContact O-OG 3.4Å; N72-S75 WeakPolarHBondContact O-CB 3.4Å; N72-S75 PolarHBondContact O-N 2.73Å; N72-S75 PolarHBondContact O-OG 3.34Å; P73-S75 PolarHBondContact O-N 2.63Å; S75-N77 PolarHBondContact O-N 2.83Å; S75-N77 VanDerWaalsContact O-N 3.12Å; S75-I78 WeakPolarHBondContact O-CG1 3.38Å; S75-I78 PolarHBondContact O-N 3.15Å
76V95.8Very high96Very high23 Ų2367.3 Ų67.314%0.13935%0.35CS..G310 helixtrans-60.4-18.6170.8-59.20000113P73 K74 V80 L89 P91P73-V76 WeakPolarHBondContact O-CG2 3.34Å; K74-V76 PolarHBondContact O-N 3.36Å; K74-V76 VanDerWaalsContact O-N 3.09Å; V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-L89 HydrophobicContact CB-CB 4.22Å; V76-L89 HydrophobicContact CG1-CB 4.38Å; V76-P91 HydrophobicContact CG1-CG 4.39Å
77N96.1Very high95.9Very high105 Ų10564.6 Ų64.656%0.56135%0.348SS*.G310 helixtrans-96.6-6.1180-60.1-65.8000114.3K74 S75K74-N77 PolarHBondContact O-N 3.2Å; K74-N77 PolarHBondContact O-ND2 3.33Å; S75-N77 PolarHBondContact O-N 2.83Å; S75-N77 VanDerWaalsContact O-N 3.12Å
78I95.3Very high95.9Very high68 Ų6860.5 Ų60.535%0.34933%0.331SS..SBendtrans-99.7156.4177.166.4167.4000110.9R42 K67 Y68 S75 V80R42-I78 PolarHBondContact NH1-O 3.44Å; R42-I78 PolarHBondContact NH2-O 3.39Å; K67-I78 HydrophobicContact CG-CD1 4.12Å; Y68-I78 HydrophobicContact CD1-CD1 4.19Å; Y68-I78 HydrophobicContact CD1-CG1 4.31Å; Y68-I78 HydrophobicContact CE1-CD1 3.79Å; Y68-I78 HydrophobicContact CE1-CG1 3.92Å; S75-I78 WeakPolarHBondContact O-CG1 3.38Å; S75-I78 PolarHBondContact O-N 3.15Å; I78-V80 VanDerWaalsContact O-CG2 3.26Å; I78-V80 WeakPolarHBondContact O-CG2 3.24Å; I78-V80 PolarHBondContact O-N 3.04Å
79D95.3Very high95.9Very high52 Ų5261 Ų6128%0.27833%0.334SS..SBendtrans54.844.3177.7-66-52.2000111.7R42 K67 Y68 W267R42-D79 PolarHBondContact NH1-O 3Å; K67-D79 VanDerWaalsContact CE-OD2 3.29Å; K67-D79 WeakPolarHBondContact CE-OD2 3.27Å; K67-D79 IonicContact NZ-OD2 2.84Å; K67-D79 PolarHBondContact NZ-OD2 2.75Å; Y68-D79 HydrophobicContact CE1-CB 4.4Å; Y68-D79 PolarHBondContact OH-OD2 3.45Å; D79-W267 HydrophobicContact CB-CG 4.45Å; D79-W267 WeakPolarHBondContact O-CZ2 3.28Å; D79-W267 PolarHBondContact O-NE1 3.4Å
80V96Very high95.9Very high37 Ų3762.2 Ų62.222%0.22434%0.342CS..  trans-113.9128.7-177.5-172.30000109.7V76 I78 C82 V85 V86 L89V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; I78-V80 VanDerWaalsContact O-CG2 3.26Å; I78-V80 WeakPolarHBondContact O-CG2 3.24Å; I78-V80 PolarHBondContact O-N 3.04Å; V80-C82 WeakPolarHBondContact CG1-O 3.28Å; V80-V85 HydrophobicContact CG1-CB 3.96Å; V80-V85 HydrophobicContact CG1-CG1 4.21Å; V80-V86 HydrophobicContact CG1-CG2 3.85Å; V80-V86 HydrophobicContact CG2-CG2 4.28Å; V80-L89 HydrophobicContact CG2-CD1 3.92Å
81A94Very high96Very high23 Ų2360.9 Ų60.919%0.1933%0.329CS..SBendtrans-69.2-39.2178.800000113.1T5 C12 W267T5-A81 HydrophobicContact CG2-CB 4.33Å; T5-A81 WeakPolarHBondContact CG2-O 3.38Å; C12-A81 WeakPolarHBondContact O-CB 3.46Å; A81-W267 HydrophobicContact CB-CH2 4.06Å; A81-W267 HydrophobicContact CB-CZ2 4.32Å
82C94.5Very high96.1Very high27 Ų2753.1 Ų53.118%0.18229%0.288CS..SBendtrans-159.1154.9-178.250.30000111.5C13 V80 Q84 V85C13-C82 WeakPolarHBondContact CA-SG 3.27Å; C13-C82 HydrophobicContact CB-CB 4.38Å; C13-C82 WeakPolarHBondContact CB-SG 3.37Å; C13-C82 WeakPolarHBondContact SG-CB 3.44Å; C13-C82 CovalentContact SG-SG 2.03Å; C13-C82 PolarHBondContact SG-SG 3.01Å; V80-C82 WeakPolarHBondContact CG1-O 3.28Å; C82-Q84 PolarHBondContact O-N 3.35Å; C82-Q84 VanDerWaalsContact O-N 3.1Å; C82-V85 WeakPolarHBondContact O-CB 3.47Å; C82-V85 PolarHBondContact O-N 2.89Å
83K94.3Very high96.1Very high199 Ų19956.4 Ų56.487%0.86530%0.297SS*.G310 helixtrans-52.4-38.5-172.6-66.5-174.3178.8-177.80114V85 V86K83-V85 PolarHBondContact O-N 3.48Å; K83-V86 WeakPolarHBondContact O-CB 3.4Å; K83-V86 WeakPolarHBondContact O-CG2 3.41Å; K83-V86 PolarHBondContact O-N 3.22Å
84Q94.1Very high96.3Very high65 Ų6555.6 Ų55.630%0.30429%0.293SS..G310 helixtrans-66-21.3-178.571.6-158.127.400114M1 S2 C13 S15 C82 V86 S87M1-Q84 HydrophobicContact SD-CB 4.41Å; M1-Q84 PolarHBondContact SD-OE1 2.87Å; M1-Q84 VanDerWaalsContact SD-OE1 3.34Å; S2-Q84 PolarHBondContact O-NE2 3.42Å; C13-Q84 PolarHBondContact O-NE2 2.9Å; S15-Q84 WeakPolarHBondContact CB-O 3.37Å; S15-Q84 PolarHBondContact OG-O 3.07Å; C82-Q84 PolarHBondContact O-N 3.35Å; C82-Q84 VanDerWaalsContact O-N 3.1Å; Q84-V86 VanDerWaalsContact C-N 3.3Å; Q84-S87 PolarHBondContact O-OG 2.74Å
85V96.8Very high96.4Very high3 Ų353.3 Ų53.32%0.01829%0.289CS..G310 helixtrans-71.8-28.5177.1169.10000111.2V80 C82 K83 S87 S88 L89V80-V85 HydrophobicContact CG1-CB 3.96Å; V80-V85 HydrophobicContact CG1-CG1 4.21Å; C82-V85 WeakPolarHBondContact O-CB 3.47Å; C82-V85 PolarHBondContact O-N 2.89Å; K83-V85 PolarHBondContact O-N 3.48Å; V85-S87 PolarHBondContact O-N 3.37Å; V85-S87 VanDerWaalsContact O-N 3.12Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 2.73Å; V85-L89 HydrophobicContact CG1-CD1 3.97Å; V85-L89 HydrophobicContact CG1-CD2 4.22Å; V85-L89 HydrophobicContact CG1-CG 4.06Å
86V97.1Very high96.6Very high41 Ų4153.9 Ų53.925%0.24829%0.292CS..G310 helixtrans-54.1-37.5-175.8-179.80000111.6V80 K83 Q84 S88 L89V80-V86 HydrophobicContact CG1-CG2 3.85Å; V80-V86 HydrophobicContact CG2-CG2 4.28Å; K83-V86 WeakPolarHBondContact O-CB 3.4Å; K83-V86 WeakPolarHBondContact O-CG2 3.41Å; K83-V86 PolarHBondContact O-N 3.22Å; Q84-V86 VanDerWaalsContact C-N 3.3Å; V86-S88 PolarHBondContact O-N 2.73Å; V86-L89 PolarHBondContact O-N 2.71Å
87S95.8Very high96.7Very high101 Ų10152.9 Ų52.971%0.70629%0.285SS*.G310 helixtrans-65.5-17.1178.9600000114.5S15 Q84 V85S15-S87 PolarHBondContact OG-OG 3.29Å; S15-S87 VanDerWaalsContact OG-OG 3.12Å; Q84-S87 PolarHBondContact O-OG 2.74Å; V85-S87 PolarHBondContact O-N 3.37Å; V85-S87 VanDerWaalsContact O-N 3.12Å
88S97.1Very high96.8Very high3 Ų349.3 Ų49.32%0.02127%0.266CS..G310 helixtrans-95.8-0.1174.769.20000113.6S15 R17 V85 V86S15-S88 WeakPolarHBondContact OG-CB 3.38Å; R17-S88 WeakPolarHBondContact CD-O 3.08Å; R17-S88 PolarHBondContact NH1-O 3.39Å; V85-S88 PolarHBondContact O-N 3.43Å; V85-S88 PolarHBondContact O-OG 2.73Å; V86-S88 PolarHBondContact O-N 2.73Å
89L98.2Very high97Very high17 Ų1747.4 Ų47.49%0.08926%0.256CS..  trans-105.8136.7-176.1-56.2-179000111.4R42 R43 V76 V80 V85 V86R42-L89 HydrophobicContact CB-CD2 4.04Å; R42-L89 CarbonylContact O-C 3.59Å; R42-L89 WeakPolarHBondContact O-CA 3.3Å; R43-L89 HydrophobicContact CG-CD2 3.98Å; R43-L89 VanDerWaalsContact NH1-CD2 3.29Å; V76-L89 HydrophobicContact CB-CB 4.22Å; V76-L89 HydrophobicContact CG1-CB 4.38Å; V80-L89 HydrophobicContact CG2-CD1 3.92Å; V85-L89 HydrophobicContact CG1-CD1 3.97Å; V85-L89 HydrophobicContact CG1-CD2 4.22Å; V85-L89 HydrophobicContact CG1-CG 4.06Å; V86-L89 PolarHBondContact O-N 2.71Å
90S98.1Very high97.1Very high27 Ų2746.5 Ų46.519%0.18925%0.25CS..  trans-129.5160172.158.80000109.3R17 R42R17-S90 PolarHBondContact NH1-OG 3.25Å; R17-S90 PolarHBondContact NH2-OG 3.35Å; R42-S90 WeakPolarHBondContact CA-O 3.25Å; R42-S90 PolarHBondContact O-N 2.66Å; R42-S90 PolarHBondContact O-OG 2.81Å
91P98.4Very high97.3Very high21 Ų2149.8 Ų49.814%0.13626%0.263CS..PPolyproline II helixtrans-56.5150.1167.5-2436.2000111.4Y68 P73 V76Y68-P91 CarbonylContact O-C 3.4Å; Y68-P91 VanDerWaalsContact O-CA 3.23Å; Y68-P91 WeakPolarHBondContact O-CA 3.32Å; P73-P91 HydrophobicContact CB-CG 4.28Å; V76-P91 HydrophobicContact CG1-CG 4.39Å
92I98.4Very high97.5Very high1 Ų149 Ų491%0.00526%0.256CS..BIsolated β-bridgetrans-81.5133175.8-57.8179.1000109.7A41 R42 L64 L65 Y68 G69 A70 L97A41-I92 HydrophobicContact CB-CD1 4.01Å; A41-I92 HydrophobicContact CB-CG1 4.02Å; A41-I92 HydrophobicContact CB-CG2 4.04Å; R42-I92 HydrophobicContact CG-CD1 3.9Å; R42-I92 HydrophobicContact CG-CG1 3.64Å; L64-I92 HydrophobicContact CB-CD1 4.43Å; L65-I92 HydrophobicContact CD2-CB 4.4Å; L65-I92 HydrophobicContact CD2-CG2 3.88Å; Y68-I92 HydrophobicContact CD2-CD1 4.23Å; Y68-I92 HydrophobicContact CG-CD1 4.4Å; Y68-I92 PolarHBondContact O-N 2.91Å; G69-I92 WeakPolarHBondContact CA-O 3.43Å; A70-I92 PolarHBondContact N-O 3.17Å; I92-L97 HydrophobicContact CG2-CD1 3.87Å; I92-L97 HydrophobicContact CG2-CD2 4.44Å; I92-L97 HydrophobicContact CG2-CG 3.86Å
93Y98.2Very high97.7Very high126 Ų12649.8 Ų49.849%0.49426%0.258SS..PPolyproline II helixtrans-99.7149168.9-60.3-85.2000110.9A70 D95 Q96A70-Y93 HydrophobicContact CB-CD1 4.11Å; A70-Y93 HydrophobicContact CB-CE1 3.82Å; Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 WeakPolarHBondContact CB-OD1 3.27Å; Y93-D95 PolarHBondContact O-N 3.49Å; Y93-Q96 VanDerWaalsContact O-CB 3.32Å; Y93-Q96 WeakPolarHBondContact O-CB 3.47Å; Y93-Q96 PolarHBondContact O-N 2.87Å
94S98Very high97.9Very high62 Ų6240.9 Ų40.943%0.43422%0.22SC..G310 helixtrans-62-32.2-172.2-174.60000113.4K61 Q96 L97K61-S94 WeakPolarHBondContact CE-O 3.25Å; K61-S94 WeakPolarHBondContact CE-OG 3.48Å; K61-S94 PolarHBondContact NZ-O 2.95Å; K61-S94 PolarHBondContact NZ-OG 3.13Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.72Å; S94-L97 PolarHBondContact O-N 3.41Å
95D97.8Very high98.1Very high117 Ų11738.2 Ų38.263%0.62621%0.209SC*.G310 helixtrans-71.7-17.9177.165.5-33.2000113.5Y93 L97Y93-D95 VanDerWaalsContact C-N 3.25Å; Y93-D95 WeakPolarHBondContact CB-OD1 3.27Å; Y93-D95 PolarHBondContact O-N 3.49Å; D95-L97 VanDerWaalsContact C-N 3.34Å
96Q98.6Very high98.2Very high14 Ų1439 Ų397%0.06522%0.215CC..G310 helixtrans-73.6-25.3170.7-61.6-177.1-93.200112.5A41 A45 R46 V47 Y93 S94A41-Q96 HydrophobicContact CB-CB 4.48Å; A41-Q96 PolarHBondContact O-NE2 2.75Å; A45-Q96 PolarHBondContact O-NE2 2.88Å; R46-Q96 CarbonylContact C-O 3.44Å; V47-Q96 PolarHBondContact N-O 2.86Å; Y93-Q96 VanDerWaalsContact O-CB 3.32Å; Y93-Q96 WeakPolarHBondContact O-CB 3.47Å; Y93-Q96 PolarHBondContact O-N 2.87Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.72Å
97L98.8Very high98.3Very high1 Ų138.1 Ų38.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-105.1104.2-177.9-62.1-176.9000110.3A41 V47 M49 K61 L64 L65 I92 S94 D95A41-L97 HydrophobicContact CB-CD2 3.78Å; V47-L97 HydrophobicContact CB-CD2 4.21Å; M49-L97 HydrophobicContact SD-CB 4.05Å; M49-L97 HydrophobicContact SD-CD1 4.29Å; M49-L97 HydrophobicContact SD-CD2 4.13Å; M49-L97 HydrophobicContact SD-CG 4.39Å; K61-L97 HydrophobicContact CD-CB 4.03Å; K61-L97 WeakPolarHBondContact CE-O 3.37Å; K61-L97 HydrophobicContact CG-CB 4Å; K61-L97 HydrophobicContact CG-CD1 4.02Å; K61-L97 PolarHBondContact NZ-O 3.34Å; L64-L97 HydrophobicContact CB-CD1 3.97Å; L64-L97 HydrophobicContact CD1-CD1 3.86Å; L65-L97 HydrophobicContact CD2-CD1 4.44Å; I92-L97 HydrophobicContact CG2-CD1 3.87Å; I92-L97 HydrophobicContact CG2-CD2 4.44Å; I92-L97 HydrophobicContact CG2-CG 3.86Å; S94-L97 PolarHBondContact O-N 3.41Å; D95-L97 VanDerWaalsContact C-N 3.34Å
98I98.7Very high98.4Very high31 Ų3138.3 Ų38.316%0.15920%0.198CC..EExtended strand (participates in β ladder)trans-108.6125.3-174.9-58.6158.2000108.5V47 I48 M49 Y121V47-I98 PolarHBondContact O-N 3.15Å; I48-I98 CarbonylContact C-O 3.51Å; I48-I98 VanDerWaalsContact CA-O 3.3Å; I48-I98 WeakPolarHBondContact CA-O 3.33Å; I48-I98 HydrophobicContact CG1-CB 4.44Å; M49-I98 PolarHBondContact N-O 2.82Å; I98-Y121 HydrophobicContact CD1-CE1 4.24Å
99I98.7Very high98.5Very high28 Ų2839 Ų3914%0.14420%0.203CC..EExtended strand (participates in β ladder)trans-94.6132.9-179.2-70.5162.6000109.5M49 I54 A57 E58 K61M49-I99 HydrophobicContact CB-CG1 4.29Å; I54-I99 HydrophobicContact CD1-CG2 3.65Å; I54-I99 HydrophobicContact CG2-CG2 4.25Å; A57-I99 HydrophobicContact CB-CD1 4.16Å; A57-I99 HydrophobicContact CB-CG1 4.13Å; A57-I99 HydrophobicContact CB-CG2 3.85Å; E58-I99 HydrophobicContact CB-CD1 4.29Å; E58-I99 HydrophobicContact CG-CD1 3.81Å; E58-I99 VanDerWaalsContact OE1-CD1 3.28Å; E58-I99 WeakPolarHBondContact OE1-CD1 3.4Å; E58-I99 VanDerWaalsContact OE2-CD1 3.28Å; E58-I99 WeakPolarHBondContact OE2-CD1 3.41Å; K61-I99 HydrophobicContact CB-CD1 3.95Å; K61-I99 HydrophobicContact CD-CD1 3.78Å; K61-I99 HydrophobicContact CD-CG1 4.38Å
100E98.7Very high98.5Very high33 Ų3338.2 Ų38.215%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-136.6139176.2-84.4-73.3169.600110.6I48 M49 A50 C51 L102 F113 R116 I117I48-E100 HydrophobicContact CG2-CB 3.77Å; I48-E100 HydrophobicContact CG2-CG 3.8Å; M49-E100 PolarHBondContact O-N 3.02Å; A50-E100 WeakPolarHBondContact CA-O 3.41Å; C51-E100 PolarHBondContact N-O 3.41Å; E100-L102 PolarHBondContact O-N 3.38Å; E100-F113 HydrophobicContact CB-CD2 3.99Å; E100-F113 HydrophobicContact CB-CE2 3.54Å; E100-F113 HydrophobicContact CG-CE2 4.31Å; E100-R116 IonicContact OE2-CZ 3.49Å; E100-R116 IonicContact OE2-NE 2.73Å; E100-R116 PolarHBondContact OE2-NE 3.33Å; E100-R116 IonicContact OE2-NH2 2.63Å; E100-R116 PolarHBondContact OE2-NH2 3.08Å; E100-I117 HydrophobicContact CG-CD1 4.04Å
101Q98.6Very high98.5Very high105 Ų10541.5 Ų41.549%0.49121%0.207SC..EExtended strand (participates in β ladder)trans-77.4124.5179.7-160.9175.914.300111.2C51 I54 F113 R116C51-Q101 WeakPolarHBondContact O-CA 3.42Å; I54-Q101 HydrophobicContact CD1-CB 3.76Å; I54-Q101 HydrophobicContact CD1-CG 4.14Å; I54-Q101 HydrophobicContact CG1-CB 4.25Å; I54-Q101 HydrophobicContact CG1-CG 4.25Å; Q101-F113 WeakPolarHBondContact O-CD2 3.37Å; Q101-R116 PolarHBondContact O-NH2 3.39Å
102L98.7Very high98.5Very high6 Ų644.5 Ų44.53%0.03122%0.219CC..  trans-143.7116.1175175.463.9000110.3T26 A50 C51 R52 E100 L104 I110 F113 L159T26-L102 HydrophobicContact CG2-CD2 3.76Å; A50-L102 HydrophobicContact CB-CB 4.07Å; A50-L102 HydrophobicContact CB-CD2 3.78Å; C51-L102 CarbonylContact C-O 3.47Å; C51-L102 VanDerWaalsContact C-O 3.32Å; C51-L102 PolarHBondContact O-N 2.75Å; R52-L102 VanDerWaalsContact CA-O 3.24Å; R52-L102 WeakPolarHBondContact CA-O 3.28Å; R52-L102 PolarHBondContact N-O 3.23Å; R52-L102 VanDerWaalsContact N-O 3.15Å; E100-L102 PolarHBondContact O-N 3.38Å; L102-L104 HydrophobicContact CD1-CD2 4.27Å; L102-L104 HydrophobicContact CD2-CD2 4.12Å; L102-L104 HydrophobicContact CD2-CG 4.4Å; L102-L104 HydrophobicContact CG-CD2 4.26Å; L102-L104 HydrophobicContact CG-CG 4.37Å; L102-I110 HydrophobicContact CD1-CB 4.47Å; L102-I110 HydrophobicContact CD1-CG1 3.93Å; L102-F113 HydrophobicContact CB-CD2 3.81Å; L102-F113 HydrophobicContact CB-CE2 4.15Å; L102-F113 HydrophobicContact CB-CG 4.18Å; L102-F113 HydrophobicContact CD1-CB 3.86Å; L102-F113 HydrophobicContact CD1-CD1 4.09Å; L102-F113 HydrophobicContact CD1-CD2 4.37Å; L102-F113 HydrophobicContact CD1-CG 3.86Å; L102-F113 HydrophobicContact CD2-CE1 4.46Å; L102-F113 HydrophobicContact CD2-CZ 4.47Å; L102-F113 HydrophobicContact CG-CD2 4.49Å; L102-F113 HydrophobicContact CG-CG 4.43Å; L102-L159 HydrophobicContact CD2-CD2 3.93Å
103D98.5Very high98.6Very high45 Ų4544.4 Ų44.424%0.24122%0.219CC..  trans-105.9108.3167-164.9-8.7000110.8R52 A105 S106 S109R52-D103 VanDerWaalsContact CD-CG 3.41Å; R52-D103 WeakPolarHBondContact CD-OD1 3.5Å; R52-D103 VanDerWaalsContact CD-OD2 3.27Å; R52-D103 WeakPolarHBondContact CD-OD2 3.36Å; R52-D103 HydrophobicContact CG-CB 4Å; D103-A105 PolarHBondContact O-N 3.49Å; D103-A105 WeakPolarHBondContact OD1-CB 3.39Å; D103-A105 PolarHBondContact OD1-N 2.86Å; D103-S106 PolarHBondContact O-N 2.88Å; D103-S106 VanDerWaalsContact O-N 3.15Å; D103-S109 PolarHBondContact N-OG 3.37Å
104L98.6Very high98.6Very high12 Ų1238.7 Ų38.76%0.06320%0.197CC..THydrogen-bonded Turntrans-70.7-10.7177.3-68.9174.9000113.3L102 S106 I110 A131 V151 L159L102-L104 HydrophobicContact CD1-CD2 4.27Å; L102-L104 HydrophobicContact CD2-CD2 4.12Å; L102-L104 HydrophobicContact CD2-CG 4.4Å; L102-L104 HydrophobicContact CG-CD2 4.26Å; L102-L104 HydrophobicContact CG-CG 4.37Å; L104-S106 PolarHBondContact O-N 2.9Å; L104-I110 HydrophobicContact CD2-CD1 4.18Å; L104-I110 HydrophobicContact CD2-CG1 4.14Å; L104-A131 HydrophobicContact CD1-CB 3.53Å; L104-V151 HydrophobicContact CB-CG1 4.07Å; L104-L159 HydrophobicContact CD2-CB 4.49Å; L104-L159 HydrophobicContact CD2-CD2 4.24Å
105A98.4Very high98.6Very high9 Ų942.8 Ų42.87%0.07420%0.203CC..THydrogen-bonded Turntrans-84.57.9171.500000112.8D103 T141 V142 M147 V151D103-A105 PolarHBondContact O-N 3.49Å; D103-A105 WeakPolarHBondContact OD1-CB 3.39Å; D103-A105 PolarHBondContact OD1-N 2.86Å; A105-T141 HydrophobicContact CB-CG2 4.13Å; A105-T141 VanDerWaalsContact O-CB 3.31Å; A105-T141 WeakPolarHBondContact O-CB 3.31Å; A105-V142 PolarHBondContact O-N 3.15Å; A105-M147 HydrophobicContact CB-SD 4.01Å; A105-V151 HydrophobicContact CB-CG2 3.7Å
106S98.7Very high98.7Very high20 Ų2040.1 Ų40.114%0.1418%0.184CC..  trans-138.6115.1177.1174.60000111.4D103 L104 Q108 S109 I110 D143D103-S106 PolarHBondContact O-N 2.88Å; D103-S106 VanDerWaalsContact O-N 3.15Å; L104-S106 PolarHBondContact O-N 2.9Å; S106-Q108 PolarHBondContact O-N 3.33Å; S106-S109 PolarHBondContact O-N 3.41Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact OG-N 3.4Å; S106-I110 WeakPolarHBondContact O-CG1 3.47Å; S106-I110 PolarHBondContact O-N 3.27Å; S106-I110 VanDerWaalsContact O-N 3.1Å; S106-D143 WeakPolarHBondContact CA-OD2 3.36Å
107L98.7Very high98.7Very high21 Ų2139.4 Ų39.411%0.1118%0.181CC..Hα-helixtrans-60.5-34.1175.7-58.9-171.3000111.7I110 R111 D143 F145 L158 L317L107-I110 HydrophobicContact CD2-CD1 4.26Å; L107-I110 PolarHBondContact O-N 2.9Å; L107-R111 WeakPolarHBondContact O-CG 3.2Å; L107-R111 PolarHBondContact O-N 2.79Å; L107-R111 VanDerWaalsContact O-N 3.09Å; L107-D143 HydrophobicContact CD1-CB 4.21Å; L107-D143 HydrophobicContact CG-CB 4.05Å; L107-D143 VanDerWaalsContact CG-CG 3.47Å; L107-D143 WeakPolarHBondContact CG-OD2 3.4Å; L107-D143 PolarHBondContact N-OD2 3.48Å; L107-F145 HydrophobicContact CD1-CE2 4.06Å; L107-F145 HydrophobicContact CD2-CE2 4.48Å; L107-F145 HydrophobicContact CG-CE2 4.44Å; L107-L158 HydrophobicContact CB-CD2 3.85Å; L107-L158 HydrophobicContact CD2-CD2 3.65Å; L107-L158 HydrophobicContact CG-CD2 4.17Å; L107-L317 HydrophobicContact CD1-CD2 3.95Å; L107-L317 HydrophobicContact CD2-CD2 3.73Å
108Q98.6Very high98.6Very high105 Ų10543 Ų4349%0.49120%0.2SC..Hα-helixtrans-64.6-46.3174.5-17860.221.100111.8S106 I110 R111 E112S106-Q108 PolarHBondContact O-N 3.33Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.47Å; Q108-R111 PolarHBondContact O-N 3.4Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; Q108-E112 PolarHBondContact NE2-OE1 2.85Å; Q108-E112 WeakPolarHBondContact O-CG 3.22Å; Q108-E112 PolarHBondContact O-N 3.35Å
109S98.8Very high98.6Very high18 Ų1846.7 Ų46.713%0.12622%0.223CC..Hα-helixtrans-58.3-40176.4-175.60000111.8D103 S106 E112 F113D103-S109 PolarHBondContact N-OG 3.37Å; S106-S109 PolarHBondContact O-N 3.41Å; S106-S109 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact OG-N 3.4Å; S109-E112 PolarHBondContact O-N 3.32Å; S109-F113 VanDerWaalsContact O-CB 3.32Å; S109-F113 WeakPolarHBondContact O-CB 3.46Å; S109-F113 PolarHBondContact O-N 2.73Å
110I98.8Very high98.6Very high0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-62.1-47.4176.3-65.8158.6000111L102 L104 S106 L107 Q108 E112 F113 V114 G155 L158 L159 L162L102-I110 HydrophobicContact CD1-CB 4.47Å; L102-I110 HydrophobicContact CD1-CG1 3.93Å; L104-I110 HydrophobicContact CD2-CD1 4.18Å; L104-I110 HydrophobicContact CD2-CG1 4.14Å; S106-I110 WeakPolarHBondContact O-CG1 3.47Å; S106-I110 PolarHBondContact O-N 3.27Å; S106-I110 VanDerWaalsContact O-N 3.1Å; L107-I110 HydrophobicContact CD2-CD1 4.26Å; L107-I110 PolarHBondContact O-N 2.9Å; Q108-I110 VanDerWaalsContact C-N 3.26Å; Q108-I110 PolarHBondContact O-N 3.47Å; I110-E112 PolarHBondContact O-N 3.5Å; I110-F113 PolarHBondContact O-N 2.93Å; I110-V114 HydrophobicContact CG2-CG2 4.5Å; I110-V114 WeakPolarHBondContact O-CG2 3.45Å; I110-V114 PolarHBondContact O-N 2.98Å; I110-G155 WeakPolarHBondContact CD1-O 3.43Å; I110-L158 HydrophobicContact CB-CD2 4.26Å; I110-L158 HydrophobicContact CD1-CD2 4.37Å; I110-L158 HydrophobicContact CG2-CB 4.4Å; I110-L158 HydrophobicContact CG2-CD2 4.08Å; I110-L158 HydrophobicContact CG2-CG 4Å; I110-L159 HydrophobicContact CG2-CB 3.95Å; I110-L159 HydrophobicContact CG2-CD1 4.27Å; I110-L162 HydrophobicContact CG2-CD1 4.26Å
111R98.6Very high98.6Very high96 Ų9648.7 Ų48.736%0.36224%0.237SC..Hα-helixtrans-62.1-42.6179.1-70176.2-167.6-72.40.2111.9L107 Q108 V114 R115 L162L107-R111 WeakPolarHBondContact O-CG 3.2Å; L107-R111 PolarHBondContact O-N 2.79Å; L107-R111 VanDerWaalsContact O-N 3.09Å; Q108-R111 PolarHBondContact O-N 3.4Å; Q108-R111 VanDerWaalsContact O-N 3.16Å; R111-V114 PolarHBondContact O-N 3.42Å; R111-R115 WeakPolarHBondContact O-CB 3.29Å; R111-R115 PolarHBondContact O-N 3.42Å; R111-L162 HydrophobicContact CG-CD1 3.86Å
112E98.7Very high98.5Very high84 Ų8448.7 Ų48.739%0.39325%0.246SC..Hα-helixtrans-66.2-42.8177.5-71.9173.7-176.800112.4Q108 S109 I110 R115 R116Q108-E112 PolarHBondContact NE2-OE1 2.85Å; Q108-E112 WeakPolarHBondContact O-CG 3.22Å; Q108-E112 PolarHBondContact O-N 3.35Å; S109-E112 PolarHBondContact O-N 3.32Å; I110-E112 PolarHBondContact O-N 3.5Å; E112-R115 PolarHBondContact O-N 3.3Å; E112-R116 WeakPolarHBondContact O-CG 3.21Å; E112-R116 PolarHBondContact O-N 3.11Å; E112-R116 VanDerWaalsContact O-N 3.09Å; E112-R116 PolarHBondContact O-NH1 2.94Å
113F98.8Very high98.5Very high0 Ų052.3 Ų52.30%026%0.263CS..Hα-helixtrans-56.8-53.8173171.2-90.3000110.5I24 I48 A50 E100 Q101 L102 S109 I110 R115 R116 I117 L159I24-F113 HydrophobicContact CD1-CE1 4.14Å; I24-F113 HydrophobicContact CD1-CZ 4.1Å; I24-F113 HydrophobicContact CG1-CZ 4.5Å; I24-F113 HydrophobicContact CG2-CZ 4.12Å; I48-F113 HydrophobicContact CG2-CE2 4.37Å; I48-F113 HydrophobicContact CG2-CZ 4.38Å; A50-F113 HydrophobicContact CB-CE2 3.67Å; A50-F113 HydrophobicContact CB-CZ 3.77Å; E100-F113 HydrophobicContact CB-CD2 3.99Å; E100-F113 HydrophobicContact CB-CE2 3.54Å; E100-F113 HydrophobicContact CG-CE2 4.31Å; Q101-F113 WeakPolarHBondContact O-CD2 3.37Å; L102-F113 HydrophobicContact CB-CD2 3.81Å; L102-F113 HydrophobicContact CB-CE2 4.15Å; L102-F113 HydrophobicContact CB-CG 4.18Å; L102-F113 HydrophobicContact CD1-CB 3.86Å; L102-F113 HydrophobicContact CD1-CD1 4.09Å; L102-F113 HydrophobicContact CD1-CD2 4.37Å; L102-F113 HydrophobicContact CD1-CG 3.86Å; L102-F113 HydrophobicContact CD2-CE1 4.46Å; L102-F113 HydrophobicContact CD2-CZ 4.47Å; L102-F113 HydrophobicContact CG-CD2 4.49Å; L102-F113 HydrophobicContact CG-CG 4.43Å; S109-F113 VanDerWaalsContact O-CB 3.32Å; S109-F113 WeakPolarHBondContact O-CB 3.46Å; S109-F113 PolarHBondContact O-N 2.73Å; I110-F113 PolarHBondContact O-N 2.93Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 2.69Å; F113-R116 PolarHBondContact O-N 3Å; F113-I117 HydrophobicContact CD1-CG1 4.02Å; F113-I117 HydrophobicContact CD2-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.41Å; F113-I117 HydrophobicContact CE1-CG1 3.58Å; F113-I117 HydrophobicContact CE2-CD1 4.1Å; F113-I117 HydrophobicContact CE2-CG1 4.11Å; F113-I117 HydrophobicContact CG-CG1 4.44Å; F113-I117 HydrophobicContact CZ-CD1 3.96Å; F113-I117 HydrophobicContact CZ-CG1 3.64Å; F113-I117 WeakPolarHBondContact O-CG1 3.43Å; F113-I117 PolarHBondContact O-N 3.48Å; F113-L159 HydrophobicContact CD1-CD1 3.73Å; F113-L159 HydrophobicContact CE1-CD1 3.76Å
114V98.8Very high98.5Very high6 Ų650.2 Ų50.24%0.03625%0.251CS..Hα-helixtrans-60.4-41.3-178.81750000111.1I110 R111 R116 I117 I118 L159 L162 L163I110-V114 HydrophobicContact CG2-CG2 4.5Å; I110-V114 WeakPolarHBondContact O-CG2 3.45Å; I110-V114 PolarHBondContact O-N 2.98Å; R111-V114 PolarHBondContact O-N 3.42Å; V114-R116 VanDerWaalsContact C-N 3.3Å; V114-R116 PolarHBondContact O-N 2.82Å; V114-I117 PolarHBondContact O-N 2.83Å; V114-I117 VanDerWaalsContact O-N 3.12Å; V114-I118 HydrophobicContact CG1-CG2 3.86Å; V114-I118 WeakPolarHBondContact O-CG1 3.29Å; V114-I118 WeakPolarHBondContact O-CG2 3.22Å; V114-I118 PolarHBondContact O-N 3.22Å; V114-L159 HydrophobicContact CG2-CD1 3.71Å; V114-L162 HydrophobicContact CB-CB 4.25Å; V114-L162 HydrophobicContact CG1-CB 3.88Å; V114-L162 HydrophobicContact CG2-CB 3.95Å; V114-L162 HydrophobicContact CG2-CD1 4.39Å; V114-L163 HydrophobicContact CG1-CD2 3.95Å; V114-L163 HydrophobicContact CG1-CG 4.34Å; V114-L163 HydrophobicContact CG2-CD2 4.17Å; V114-L163 HydrophobicContact CG2-CG 3.98Å
115R98.6Very high98.5Very high147 Ų14749.9 Ų49.956%0.55525%0.25SC*.Hα-helixtrans-56.8-42.8175.6-168.9-167.96572.7-1.9112.1R111 E112 F113 I118 V119R111-R115 WeakPolarHBondContact O-CB 3.29Å; R111-R115 PolarHBondContact O-N 3.42Å; E112-R115 PolarHBondContact O-N 3.3Å; F113-R115 VanDerWaalsContact C-N 3.29Å; F113-R115 PolarHBondContact O-N 2.69Å; R115-I118 WeakPolarHBondContact O-CG1 3.33Å; R115-V119 WeakPolarHBondContact O-CB 3.44Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; R115-V119 PolarHBondContact O-N 3.42Å
116R98.7Very high98.5Very high61 Ų6150.2 Ų50.223%0.2325%0.249CC..Hα-helixtrans-64.6-46.3175.4-67.2-171.1-54.3-84.80.7110.9E100 Q101 E112 F113 V114 I118 V119 T120E100-R116 IonicContact OE2-CZ 3.49Å; E100-R116 IonicContact OE2-NE 2.73Å; E100-R116 PolarHBondContact OE2-NE 3.33Å; E100-R116 IonicContact OE2-NH2 2.63Å; E100-R116 PolarHBondContact OE2-NH2 3.08Å; Q101-R116 PolarHBondContact O-NH2 3.39Å; E112-R116 WeakPolarHBondContact O-CG 3.21Å; E112-R116 PolarHBondContact O-N 3.11Å; E112-R116 VanDerWaalsContact O-N 3.09Å; E112-R116 PolarHBondContact O-NH1 2.94Å; F113-R116 PolarHBondContact O-N 3Å; V114-R116 VanDerWaalsContact C-N 3.3Å; V114-R116 PolarHBondContact O-N 2.82Å; R116-I118 PolarHBondContact O-N 3.34Å; R116-V119 PolarHBondContact O-N 3.02Å; R116-T120 WeakPolarHBondContact O-CB 3.29Å; R116-T120 PolarHBondContact O-N 3.46Å; R116-T120 PolarHBondContact O-OG1 2.95Å
117I98.7Very high98.5Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-60.2-50.8-179-61.3-42.9000112.2I24 I48 E100 F113 V114 V119 T120 Y121 L163 L166I24-I117 HydrophobicContact CD1-CG1 4.34Å; I24-I117 HydrophobicContact CD1-CG2 4.09Å; I48-I117 HydrophobicContact CD1-CD1 3.73Å; I48-I117 HydrophobicContact CG2-CD1 4.36Å; E100-I117 HydrophobicContact CG-CD1 4.04Å; F113-I117 HydrophobicContact CD1-CG1 4.02Å; F113-I117 HydrophobicContact CD2-CG1 4.47Å; F113-I117 HydrophobicContact CE1-CD1 4.41Å; F113-I117 HydrophobicContact CE1-CG1 3.58Å; F113-I117 HydrophobicContact CE2-CD1 4.1Å; F113-I117 HydrophobicContact CE2-CG1 4.11Å; F113-I117 HydrophobicContact CG-CG1 4.44Å; F113-I117 HydrophobicContact CZ-CD1 3.96Å; F113-I117 HydrophobicContact CZ-CG1 3.64Å; F113-I117 WeakPolarHBondContact O-CG1 3.43Å; F113-I117 PolarHBondContact O-N 3.48Å; V114-I117 PolarHBondContact O-N 2.83Å; V114-I117 VanDerWaalsContact O-N 3.12Å; I117-V119 VanDerWaalsContact C-N 3.26Å; I117-V119 PolarHBondContact O-N 3Å; I117-T120 PolarHBondContact O-N 2.91Å; I117-Y121 HydrophobicContact CD1-CD2 4.22Å; I117-Y121 HydrophobicContact CD1-CE2 3.98Å; I117-Y121 HydrophobicContact CG2-CD2 4.13Å; I117-Y121 WeakPolarHBondContact O-CD2 3.38Å; I117-Y121 PolarHBondContact O-N 3.39Å; I117-L163 HydrophobicContact CB-CD2 4.41Å; I117-L163 HydrophobicContact CG2-CD2 4.03Å; I117-L166 HydrophobicContact CG2-CD2 3.9Å
118I98Very high98.5Very high77 Ų7748.2 Ų48.240%0.39524%0.237SC..Hα-helixtrans-67.5-26.3-175.867-175.1000113.1V114 R115 R116 L166V114-I118 HydrophobicContact CG1-CG2 3.86Å; V114-I118 WeakPolarHBondContact O-CG1 3.29Å; V114-I118 WeakPolarHBondContact O-CG2 3.22Å; V114-I118 PolarHBondContact O-N 3.22Å; R115-I118 WeakPolarHBondContact O-CG1 3.33Å; R116-I118 PolarHBondContact O-N 3.34Å; I118-L166 HydrophobicContact CG2-CB 4.45Å; I118-L166 HydrophobicContact CG2-CD2 4.37Å
119V98Very high98.5Very high107 Ų10743.3 Ų43.365%0.64822%0.215SC*.Hα-helixtrans-79.9-37.8176.7169.30000110.9R115 R116 I117R115-V119 WeakPolarHBondContact O-CB 3.44Å; R115-V119 WeakPolarHBondContact O-CG2 3.45Å; R115-V119 PolarHBondContact O-N 3.42Å; R116-V119 PolarHBondContact O-N 3.02Å; I117-V119 VanDerWaalsContact C-N 3.26Å; I117-V119 PolarHBondContact O-N 3Å
120T98.3Very high98.5Very high84 Ų8443.5 Ų43.552%0.51521%0.214SC..Hα-helixtrans-86.5-33.3-173.4-59.30000113.5R116 I117R116-T120 WeakPolarHBondContact O-CB 3.29Å; R116-T120 PolarHBondContact O-N 3.46Å; R116-T120 PolarHBondContact O-OG1 2.95Å; I117-T120 PolarHBondContact O-N 2.91Å
121Y98.2Very high98.3Very high20 Ų2044.3 Ų44.38%0.07822%0.221CC..  trans-117.9128.2-171-57.1-80.6000112.1L22 I48 I98 I117 E123L22-Y121 HydrophobicContact CD1-CD1 4.4Å; L22-Y121 HydrophobicContact CD1-CE1 4.46Å; L22-Y121 HydrophobicContact CD2-CD1 3.6Å; L22-Y121 HydrophobicContact CD2-CD2 4.34Å; L22-Y121 HydrophobicContact CD2-CE1 4.34Å; L22-Y121 HydrophobicContact CD2-CG 3.61Å; I48-Y121 HydrophobicContact CD1-CD2 3.9Å; I48-Y121 HydrophobicContact CD1-CE1 4.43Å; I48-Y121 HydrophobicContact CD1-CE2 3.56Å; I98-Y121 HydrophobicContact CD1-CE1 4.24Å; I117-Y121 HydrophobicContact CD1-CD2 4.22Å; I117-Y121 HydrophobicContact CD1-CE2 3.98Å; I117-Y121 HydrophobicContact CG2-CD2 4.13Å; I117-Y121 WeakPolarHBondContact O-CD2 3.38Å; I117-Y121 PolarHBondContact O-N 3.39Å; Y121-E123 VanDerWaalsContact C-N 3.3Å; Y121-E123 PolarHBondContact O-N 3.11Å
122P97.3Very high97.9Very high104 Ų10441.8 Ų41.868%0.67522%0.224SC*.SBendtrans-74-23.6178.729.8-34.5000112.8L166P122-L166 WeakPolarHBondContact O-CD1 3.44Å
123E98Very high97.6Very high83 Ų8340 Ų4039%0.38822%0.217SC..  trans-142.2149-172.864.7-168.8163.900112.4L22 Y121 H125 S170L22-E123 WeakPolarHBondContact CD2-O 3.4Å; Y121-E123 VanDerWaalsContact C-N 3.3Å; Y121-E123 PolarHBondContact O-N 3.11Å; E123-H125 VanDerWaalsContact CD-CE1 3.41Å; E123-H125 IonicContact OE2-CE1 2.71Å; E123-H125 PolarHBondContact OE2-CE1 3.46Å; E123-H125 IonicContact OE2-NE2 2.82Å; E123-S170 WeakPolarHBondContact CA-OG 3.23Å
124L98.8Very high97.2Very high0 Ų041.8 Ų41.80%023%0.232CC..  trans-142.5111.8174.1174.663.2000109.5L22 I24 L163 L166 M167 S170L22-L124 HydrophobicContact CD2-CD1 4.44Å; L22-L124 HydrophobicContact CG-CD1 4.39Å; I24-L124 HydrophobicContact CB-CD1 4.33Å; I24-L124 HydrophobicContact CD1-CD1 3.77Å; I24-L124 HydrophobicContact CD1-CD2 3.63Å; I24-L124 HydrophobicContact CD1-CG 4.36Å; I24-L124 HydrophobicContact CG1-CD1 3.72Å; I24-L124 HydrophobicContact CG1-CD2 4.46Å; L124-L163 HydrophobicContact CD2-CB 4.35Å; L124-L163 HydrophobicContact CD2-CD1 4.01Å; L124-L163 HydrophobicContact CD2-CD2 4.06Å; L124-L163 HydrophobicContact CD2-CG 4.38Å; L124-L166 HydrophobicContact CB-CD2 3.67Å; L124-L166 HydrophobicContact CB-CG 3.85Å; L124-L166 HydrophobicContact CD2-CD2 4.31Å; L124-M167 HydrophobicContact CB-CG 4.49Å; L124-M167 HydrophobicContact CD2-CG 3.87Å; L124-M167 HydrophobicContact CD2-SD 4.28Å; L124-M167 HydrophobicContact CG-CG 4.2Å; L124-S170 PolarHBondContact N-OG 3.06Å; L124-S170 WeakPolarHBondContact O-CB 3.22Å; L124-S170 PolarHBondContact O-OG 3.16Å
125H98.8Very high96.7Very high6 Ų642.9 Ų42.93%0.02824%0.239CC..  trans-94.7-32.5-171.9-63.694.9000113.1K21 L22 E123 S173 R174K21-H125 HydrophobicContact CB-CB 4.31Å; K21-H125 HydrophobicContact CD-CB 4.13Å; K21-H125 WeakPolarHBondContact CD-CD2 3.46Å; K21-H125 WeakPolarHBondContact CD-NE2 3.43Å; K21-H125 PolarHBondContact NZ-CD2 3.18Å; K21-H125 PolarHBondContact NZ-NE2 2.65Å; L22-H125 PolarHBondContact N-ND1 2.87Å; L22-H125 WeakPolarHBondContact O-CB 3.46Å; L22-H125 PolarHBondContact O-N 2.94Å; E123-H125 VanDerWaalsContact CD-CE1 3.41Å; E123-H125 IonicContact OE2-CE1 2.71Å; E123-H125 PolarHBondContact OE2-CE1 3.46Å; E123-H125 IonicContact OE2-NE2 2.82Å; H125-S173 CarbonylContact O-C 3.59Å; H125-S173 WeakPolarHBondContact O-CA 3.4Å; H125-S173 WeakPolarHBondContact O-CB 3.36Å; H125-R174 PolarHBondContact O-N 3.26Å
126F98.9Very high96.2Very high15 Ų1538.5 Ų38.57%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-133.5124.8-178.4-52.1-73.4000111L18 K21 L22 A23 I24 I128 R174 V277L18-F126 HydrophobicContact CD1-CE2 4.45Å; L18-F126 HydrophobicContact CD2-CE2 3.92Å; L18-F126 HydrophobicContact CD2-CZ 3.91Å; K21-F126 HydrophobicContact CB-CD2 4.43Å; K21-F126 HydrophobicContact CB-CE2 3.84Å; K21-F126 HydrophobicContact CG-CE2 4.19Å; L22-F126 PolarHBondContact O-N 2.78Å; L22-F126 VanDerWaalsContact O-N 3.15Å; A23-F126 CarbonylContact C-O 3.57Å; A23-F126 VanDerWaalsContact CA-O 3.25Å; A23-F126 WeakPolarHBondContact CA-O 3.4Å; A23-F126 HydrophobicContact CB-CB 3.88Å; A23-F126 HydrophobicContact CB-CD2 4.23Å; I24-F126 PolarHBondContact N-O 3.09Å; F126-I128 HydrophobicContact CB-CD1 3.57Å; F126-R174 CarbonylContact C-O 3.52Å; F126-R174 WeakPolarHBondContact CA-O 3.17Å; F126-R174 HydrophobicContact CD1-CB 4.01Å; F126-R174 HydrophobicContact CD1-CG 4.12Å; F126-R174 HydrophobicContact CE1-CB 4.46Å; F126-R174 HydrophobicContact CE1-CG 4.06Å; F126-V277 HydrophobicContact CD1-CG1 3.88Å; F126-V277 HydrophobicContact CD2-CG1 4.38Å; F126-V277 HydrophobicContact CE1-CG1 3.75Å; F126-V277 HydrophobicContact CE2-CG1 4.25Å; F126-V277 HydrophobicContact CG-CG1 4.21Å; F126-V277 HydrophobicContact CZ-CG1 3.93Å
127L98.9Very high96Very high0 Ų043.1 Ų43.10%025%0.252CS..EExtended strand (participates in β ladder)trans-109.2108.1166.6176.660.5000108.6I24 L159 T160 L163 M167 R174 I175 I176I24-L127 HydrophobicContact CB-CD1 3.98Å; I24-L127 HydrophobicContact CG2-CD1 3.91Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; L127-T160 HydrophobicContact CD2-CG2 4.3Å; L127-L163 HydrophobicContact CD1-CD1 4Å; L127-L163 HydrophobicContact CD2-CD1 4.09Å; L127-M167 HydrophobicContact CB-CE 3.82Å; L127-M167 HydrophobicContact CB-SD 3.77Å; L127-M167 HydrophobicContact CD2-SD 4.13Å; L127-R174 PolarHBondContact N-O 3.15Å; L127-I175 HydrophobicContact CB-CG1 4.35Å; L127-I175 HydrophobicContact CD2-CG2 4.35Å; L127-I175 WeakPolarHBondContact O-CA 3.33Å; L127-I176 PolarHBondContact O-N 3Å
128I98.9Very high95.9Very high0 Ų045.5 Ų45.50%026%0.262CS..EExtended strand (participates in β ladder)trans-101.697.1177.1-56.677.4000107.7A23 I24 V25 T26 T36 L40 F126 N130 I176 L178 T273 V277A23-I128 HydrophobicContact CB-CD1 4.1Å; I24-I128 WeakPolarHBondContact O-CD1 3.42Å; I24-I128 PolarHBondContact O-N 2.78Å; V25-I128 HydrophobicContact CB-CB 4.48Å; V25-I128 HydrophobicContact CG1-CB 4.32Å; V25-I128 HydrophobicContact CG1-CG2 4.33Å; V25-I128 HydrophobicContact CG2-CB 4.16Å; V25-I128 HydrophobicContact CG2-CD1 4.02Å; V25-I128 HydrophobicContact CG2-CG1 4.3Å; T26-I128 PolarHBondContact N-O 2.84Å; T26-I128 PolarHBondContact OG1-O 2.68Å; T36-I128 HydrophobicContact CG2-CG1 4.45Å; T36-I128 HydrophobicContact CG2-CG2 4.34Å; L40-I128 HydrophobicContact CD1-CD1 3.92Å; F126-I128 HydrophobicContact CB-CD1 3.57Å; I128-N130 HydrophobicContact CG2-CB 3.9Å; I128-N130 PolarHBondContact O-N 3Å; I128-I176 HydrophobicContact CG1-CD1 4.33Å; I128-L178 HydrophobicContact CG2-CD2 4.02Å; I128-T273 HydrophobicContact CG2-CG2 3.81Å; I128-V277 HydrophobicContact CG1-CG2 4.39Å
129N98.9Very high95.9Very high2 Ų246.5 Ų46.51%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-77.271174.4-71.7-37000109.9T156 T160 I176 N177 L178N129-T156 HydrophobicContact CB-CG2 3.57Å; N129-T156 VanDerWaalsContact CG-CG2 3.45Å; N129-T160 PolarHBondContact ND2-OG1 3.46Å; N129-I176 PolarHBondContact N-O 3.35Å; N129-N177 PolarHBondContact ND2-OD1 3.45Å; N129-L178 WeakPolarHBondContact O-CB 3.02Å; N129-L178 PolarHBondContact O-N 2.92Å
130N98.3Very high95.9Very high22 Ų2247 Ų4712%0.11826%0.258CS..  trans-90-32.5-176.3162.192.6000113.5V25 T26 G33 I128 G132 L178V25-N130 HydrophobicContact CG1-CB 4.33Å; T26-N130 WeakPolarHBondContact O-CB 3.47Å; T26-N130 PolarHBondContact O-ND2 2.82Å; T26-N130 PolarHBondContact OG1-N 3.07Å; G33-N130 WeakPolarHBondContact CA-ND2 3.13Å; G33-N130 PolarHBondContact N-ND2 3.05Å; G33-N130 PolarHBondContact N-OD1 2.83Å; I128-N130 HydrophobicContact CG2-CB 3.9Å; I128-N130 PolarHBondContact O-N 3Å; N130-G132 PolarHBondContact O-N 2.91Å; N130-L178 HydrophobicContact CB-CD2 3.97Å; N130-L178 HydrophobicContact CB-CG 4.13Å
131A93.8Very high96Very high16 Ų1643.5 Ų43.513%0.13224%0.237CC..  trans-53.3136.7-178.600000111T26 L104T26-A131 PolarHBondContact O-N 3.37Å; T26-A131 VanDerWaalsContact O-N 3.09Å; T26-A131 VanDerWaalsContact OG1-CB 3.31Å; T26-A131 WeakPolarHBondContact OG1-CB 3.32Å; T26-A131 PolarHBondContact OG1-N 2.77Å; L104-A131 HydrophobicContact CD1-CB 3.53Å
132G90.7Very high96Very high43 Ų4348.2 Ų48.244%0.44327%0.267SS..  trans-175.8159.617200000111.2N130 N152N130-G132 PolarHBondContact O-N 2.91Å; G132-N152 WeakPolarHBondContact CA-OD1 3.45Å
133L91.3Very high96Very high47 Ų4746.4 Ų46.425%0.24625%0.252CS..  trans-142.9174.9-178.554.867.2000110.7V135 M147 T148 V151 N152L133-V135 HydrophobicContact CD1-CG1 4.1Å; L133-M147 HydrophobicContact CD1-CG 4.43Å; L133-T148 HydrophobicContact CD1-CG2 4.45Å; L133-V151 HydrophobicContact CD1-CB 4.4Å; L133-V151 HydrophobicContact CD2-CB 4.25Å; L133-V151 HydrophobicContact CD2-CG1 4.08Å; L133-V151 HydrophobicContact CD2-CG2 4.11Å; L133-V151 HydrophobicContact CG-CB 4.14Å; L133-V151 HydrophobicContact CG-CG1 3.93Å; L133-N152 PolarHBondContact N-OD1 3.15Å; L133-N152 PolarHBondContact O-ND2 3.3Å; L133-N152 PolarHBondContact O-OD1 3.11Å
134A90.6Very high96Very high37 Ų3744.3 Ų44.331%0.30625%0.253SS..  trans-143108.616700000106.8Q202 Y206A134-Q202 HydrophobicContact CB-CG 3.83Å; A134-Q202 PolarHBondContact O-NE2 3.13Å; A134-Y206 HydrophobicContact CB-CD2 3.71Å; A134-Y206 HydrophobicContact CB-CE2 4.46Å; A134-Y206 HydrophobicContact CB-CG 4.18Å
135V88.8Confident96Very high29 Ų2945.2 Ų45.218%0.17626%0.257CS..  trans-88.3143.2179.3-68.50000111.2L133 K137 M147 T148 Y200 Q202L133-V135 HydrophobicContact CD1-CG1 4.1Å; V135-K137 WeakPolarHBondContact CG2-O 3.43Å; V135-M147 HydrophobicContact CG1-CG 3.97Å; V135-M147 HydrophobicContact CG2-CB 3.81Å; V135-M147 HydrophobicContact CG2-CG 3.99Å; V135-T148 WeakPolarHBondContact CG2-OG1 3.3Å; V135-T148 PolarHBondContact N-OG1 2.87Å; V135-Y200 VanDerWaalsContact CG2-OH 3.3Å; V135-Y200 WeakPolarHBondContact CG2-OH 3.21Å; V135-Y200 PolarHBondContact O-OH 2.73Å; V135-Q202 WeakPolarHBondContact O-CB 3.37Å; V135-Q202 VanDerWaalsContact O-CG 3.32Å; V135-Q202 WeakPolarHBondContact O-CG 3.37Å
136S88.7Confident96Very high56 Ų5645 Ų4539%0.39226%0.255SS..SBendtrans-79.4-31.9-177.444.60000113.5D246S136-D246 WeakPolarHBondContact CB-OD2 3.46Å; S136-D246 PolarHBondContact OG-OD2 2.94Å
137K93.9Very high95.9Very high157 Ų15745.3 Ų45.368%0.68326%0.258SS*.SBendtrans-103.1149.4176.6-65.2-177.5-179.8179.30110.1V135 E139V135-K137 WeakPolarHBondContact CG2-O 3.43Å; K137-E139 PolarHBondContact O-N 3.11Å
138Y97.3Very high95.9Very high51 Ų5145.3 Ų45.320%0.226%0.258CS..  trans-64.4119.3169.8-177.5-97.4000109K140 E146 E197 Y200Y138-K140 HydrophobicContact CE1-CG 4.15Å; Y138-K140 WeakPolarHBondContact OH-CE 3.44Å; Y138-E146 HydrophobicContact CD2-CG 4.05Å; Y138-E146 HydrophobicContact CE2-CB 4.1Å; Y138-E146 HydrophobicContact CE2-CG 3.8Å; Y138-E197 HydrophobicContact CD1-CB 3.6Å; Y138-E197 HydrophobicContact CD1-CG 3.52Å; Y138-E197 HydrophobicContact CD2-CB 4.26Å; Y138-E197 HydrophobicContact CE1-CB 3.66Å; Y138-E197 HydrophobicContact CE1-CG 4.06Å; Y138-E197 HydrophobicContact CE2-CB 4.32Å; Y138-E197 HydrophobicContact CG-CB 3.9Å; Y138-E197 HydrophobicContact CG-CG 3.85Å; Y138-Y200 AromaticContact CD2-CD2 3.6Å; Y138-Y200 HydrophobicContact CD2-CD2 3.6Å; Y138-Y200 HydrophobicContact CD2-CE2 4.22Å; Y138-Y200 AromaticContact CD2-CG 3.81Å; Y138-Y200 HydrophobicContact CD2-CG 3.81Å; Y138-Y200 HydrophobicContact CE2-CD2 4.45Å; Y138-Y200 HydrophobicContact CG-CD2 4.47Å; Y138-Y200 HydrophobicContact CG-CG 4.32Å
139E97.7Very high95.9Very high97 Ų9745.6 Ų45.645%0.45326%0.259SS..  trans-137.1161.8176.3-69.4-179.1174.500108.2K137 M147K137-E139 PolarHBondContact O-N 3.11Å; E139-M147 HydrophobicContact CB-CB 4.07Å; E139-M147 HydrophobicContact CB-CE 4.34Å; E139-M147 WeakPolarHBondContact O-CB 3.41Å; E139-M147 PolarHBondContact O-N 2.93Å
140K98.5Very high95.8Very high118 Ų11845.6 Ų45.651%0.51326%0.259SS..BIsolated β-bridgetrans-116.3146.7177.2-66.8-179.5179177.30111.7Y138 F145 M147Y138-K140 HydrophobicContact CE1-CG 4.15Å; Y138-K140 WeakPolarHBondContact OH-CE 3.44Å; K140-F145 CarbonylContact C-O 3.58Å; K140-F145 WeakPolarHBondContact CA-O 2.77Å; K140-M147 VanDerWaalsContact O-CE 3.25Å; K140-M147 WeakPolarHBondContact O-CE 3.46Å
141T98.5Very high95.8Very high10 Ų1045 Ų456%0.06126%0.257CS..  trans-63.2167.5164.367.30000110.4A105 D143 G144 F145 M147A105-T141 HydrophobicContact CB-CG2 4.13Å; A105-T141 VanDerWaalsContact O-CB 3.31Å; A105-T141 WeakPolarHBondContact O-CB 3.31Å; T141-D143 PolarHBondContact O-N 3.21Å; T141-D143 VanDerWaalsContact O-N 3.15Å; T141-D143 PolarHBondContact OG1-N 2.94Å; T141-G144 PolarHBondContact O-N 3.48Å; T141-G144 PolarHBondContact OG1-N 3.01Å; T141-F145 HydrophobicContact CG2-CB 4.27Å; T141-F145 PolarHBondContact N-O 2.99Å; T141-F145 PolarHBondContact OG1-N 3.12Å; T141-F145 VanDerWaalsContact OG1-N 3.09Å; T141-M147 HydrophobicContact CG2-SD 4.15Å
142V98.4Very high96.1Very high119 Ų11944.3 Ų44.372%0.72125%0.251SS*.THydrogen-bonded Turntrans-62.5-23.1177.2-56.80000112.5A105A105-V142 PolarHBondContact O-N 3.15Å
143D98.4Very high96.4Very high67 Ų6742.2 Ų42.236%0.35823%0.23SC..THydrogen-bonded Turntrans-91.12.5177.1-50.1-85.7000113.3S106 L107 T141 F145S106-D143 WeakPolarHBondContact CA-OD2 3.36Å; L107-D143 HydrophobicContact CD1-CB 4.21Å; L107-D143 HydrophobicContact CG-CB 4.05Å; L107-D143 VanDerWaalsContact CG-CG 3.47Å; L107-D143 WeakPolarHBondContact CG-OD2 3.4Å; L107-D143 PolarHBondContact N-OD2 3.48Å; T141-D143 PolarHBondContact O-N 3.21Å; T141-D143 VanDerWaalsContact O-N 3.15Å; T141-D143 PolarHBondContact OG1-N 2.94Å; D143-F145 HydrophobicContact CB-CD2 4.05Å; D143-F145 HydrophobicContact CB-CE2 3.91Å
144G98Very high96.8Very high39 Ų3940 Ų4040%0.40222%0.218SC..SBendtrans916.9171.500000116.7T141T141-G144 PolarHBondContact O-N 3.48Å; T141-G144 PolarHBondContact OG1-N 3.01Å
145F98.4Very high97.2Very high18 Ų1838.3 Ų38.38%0.07920%0.204CC..SBendtrans-80.1150.8174.7-58.2-67.9000111.6L107 K140 T141 D143 M147 F154 L316 L317L107-F145 HydrophobicContact CD1-CE2 4.06Å; L107-F145 HydrophobicContact CD2-CE2 4.48Å; L107-F145 HydrophobicContact CG-CE2 4.44Å; K140-F145 CarbonylContact C-O 3.58Å; K140-F145 WeakPolarHBondContact CA-O 2.77Å; T141-F145 HydrophobicContact CG2-CB 4.27Å; T141-F145 PolarHBondContact N-O 2.99Å; T141-F145 PolarHBondContact OG1-N 3.12Å; T141-F145 VanDerWaalsContact OG1-N 3.09Å; D143-F145 HydrophobicContact CB-CD2 4.05Å; D143-F145 HydrophobicContact CB-CE2 3.91Å; F145-M147 PolarHBondContact O-N 3.31Å; F145-F154 HydrophobicContact CB-CD2 3.82Å; F145-F154 HydrophobicContact CB-CE2 4.19Å; F145-F154 AromaticContact CD1-CD2 3.54Å; F145-F154 HydrophobicContact CD1-CD2 3.54Å; F145-F154 AromaticContact CD1-CE2 3.56Å; F145-F154 HydrophobicContact CD1-CE2 3.56Å; F145-F154 HydrophobicContact CD1-CG 4.34Å; F145-F154 HydrophobicContact CD1-CZ 4.37Å; F145-F154 HydrophobicContact CD2-CD2 4.21Å; F145-F154 HydrophobicContact CE1-CD2 4.17Å; F145-F154 HydrophobicContact CE1-CE2 4.22Å; F145-F154 AromaticContact CG-CD2 3.58Å; F145-F154 HydrophobicContact CG-CD2 3.58Å; F145-F154 HydrophobicContact CG-CE2 4.02Å; F145-F154 HydrophobicContact CG-CG 4.4Å; F145-L316 HydrophobicContact CE1-CB 4.17Å; F145-L317 HydrophobicContact CE2-CD2 4.29Å; F145-L317 HydrophobicContact CZ-CD2 4.27Å
146E98.3Very high97.7Very high1 Ų137 Ų371%0.00520%0.196CC..BIsolated β-bridgetrans-54.1129.1167.6-176.6-79.7130.900109.4Y138 T148 M149 G150 Q194 Y200Y138-E146 HydrophobicContact CD2-CG 4.05Å; Y138-E146 HydrophobicContact CE2-CB 4.1Å; Y138-E146 HydrophobicContact CE2-CG 3.8Å; E146-T148 VanDerWaalsContact CD-N 3.27Å; E146-T148 PolarHBondContact O-N 2.82Å; E146-T148 WeakPolarHBondContact OE1-CA 3.43Å; E146-T148 WeakPolarHBondContact OE1-CB 3.07Å; E146-T148 PolarHBondContact OE1-N 2.98Å; E146-T148 PolarHBondContact OE1-OG1 2.84Å; E146-T148 WeakPolarHBondContact OE2-CB 3.21Å; E146-T148 PolarHBondContact OE2-N 3.34Å; E146-M149 PolarHBondContact O-N 3.03Å; E146-M149 WeakPolarHBondContact OE2-CB 3.44Å; E146-M149 PolarHBondContact OE2-N 3.01Å; E146-G150 WeakPolarHBondContact O-CA 3.19Å; E146-G150 PolarHBondContact O-N 3.08Å; E146-Q194 HydrophobicContact CB-CB 4.18Å; E146-Y200 HydrophobicContact CG-CD2 4.09Å; E146-Y200 HydrophobicContact CG-CE2 3.66Å; E146-Y200 WeakPolarHBondContact OE1-CE2 3.4Å; E146-Y200 PolarHBondContact OE1-OH 3.1Å
147M98.5Very high98.1Very high23 Ų2334.3 Ų34.311%0.11318%0.177CC..Hα-helixtrans-55.4-43.4-165.9-17862.572.400114.5A105 L133 V135 E139 K140 T141 F145 V151A105-M147 HydrophobicContact CB-SD 4.01Å; L133-M147 HydrophobicContact CD1-CG 4.43Å; V135-M147 HydrophobicContact CG1-CG 3.97Å; V135-M147 HydrophobicContact CG2-CB 3.81Å; V135-M147 HydrophobicContact CG2-CG 3.99Å; E139-M147 HydrophobicContact CB-CB 4.07Å; E139-M147 HydrophobicContact CB-CE 4.34Å; E139-M147 WeakPolarHBondContact O-CB 3.41Å; E139-M147 PolarHBondContact O-N 2.93Å; K140-M147 VanDerWaalsContact O-CE 3.25Å; K140-M147 WeakPolarHBondContact O-CE 3.46Å; T141-M147 HydrophobicContact CG2-SD 4.15Å; F145-M147 PolarHBondContact O-N 3.31Å; M147-V151 WeakPolarHBondContact O-CB 3.25Å; M147-V151 WeakPolarHBondContact O-CG2 3.47Å; M147-V151 PolarHBondContact O-N 3.28Å; M147-V151 HydrophobicContact SD-CG2 3.96Å
148T97.7Very high98.4Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-67.4-50.1-179-58.60000111.5L133 V135 E146 N152 Y200 A205L133-T148 HydrophobicContact CD1-CG2 4.45Å; V135-T148 WeakPolarHBondContact CG2-OG1 3.3Å; V135-T148 PolarHBondContact N-OG1 2.87Å; E146-T148 VanDerWaalsContact CD-N 3.27Å; E146-T148 PolarHBondContact O-N 2.82Å; E146-T148 WeakPolarHBondContact OE1-CA 3.43Å; E146-T148 WeakPolarHBondContact OE1-CB 3.07Å; E146-T148 PolarHBondContact OE1-N 2.98Å; E146-T148 PolarHBondContact OE1-OG1 2.84Å; E146-T148 WeakPolarHBondContact OE2-CB 3.21Å; E146-T148 PolarHBondContact OE2-N 3.34Å; T148-N152 WeakPolarHBondContact O-CB 3.24Å; T148-N152 PolarHBondContact O-N 3.25Å; T148-Y200 PolarHBondContact OG1-OH 2.79Å; T148-A205 HydrophobicContact CG2-CB 4.18Å
149M98.4Very high98.4Very high5 Ų524.4 Ų24.43%0.02514%0.135CC..Hα-helixtrans-64.5-41.5175.4-170.861.766.300111.6E146 H153 F154 L193 Q194 D208 A212E146-M149 PolarHBondContact O-N 3.03Å; E146-M149 WeakPolarHBondContact OE2-CB 3.44Å; E146-M149 PolarHBondContact OE2-N 3.01Å; M149-H153 WeakPolarHBondContact O-CA 3.41Å; M149-H153 WeakPolarHBondContact O-CB 3.39Å; M149-H153 PolarHBondContact O-N 3.38Å; M149-H153 HydrophobicContact SD-CB 3.68Å; M149-F154 HydrophobicContact CB-CE2 4.25Å; M149-F154 HydrophobicContact CG-CD2 3.94Å; M149-F154 HydrophobicContact CG-CE2 3.48Å; M149-F154 VanDerWaalsContact CG-CE2 3.48Å; M149-F154 HydrophobicContact CG-CZ 3.88Å; M149-F154 PolarHBondContact O-N 3.37Å; M149-L193 VanDerWaalsContact CE-O 3.23Å; M149-L193 WeakPolarHBondContact CE-O 3.27Å; M149-Q194 HydrophobicContact CB-CB 4.13Å; M149-Q194 HydrophobicContact CG-CB 4.06Å; M149-D208 HydrophobicContact CE-CB 3.77Å; M149-A212 HydrophobicContact SD-CB 4.02Å
150G98.6Very high98.5Very high2 Ų219.8 Ų19.82%0.02111%0.113CC..Iπ-helixtrans-52.7-55.9175.400000112.7E146 F154 G155E146-G150 WeakPolarHBondContact O-CA 3.19Å; E146-G150 PolarHBondContact O-N 3.08Å; G150-F154 PolarHBondContact O-N 3.21Å; G150-G155 PolarHBondContact O-N 3.16Å
151V98.4Very high98.4Very high11 Ų1115.1 Ų15.17%0.0679%0.094CC..Iπ-helixtrans-74.4-50.1-178.9170.10000112L104 A105 L133 M147 H153 T156L104-V151 HydrophobicContact CB-CG1 4.07Å; A105-V151 HydrophobicContact CB-CG2 3.7Å; L133-V151 HydrophobicContact CD1-CB 4.4Å; L133-V151 HydrophobicContact CD2-CB 4.25Å; L133-V151 HydrophobicContact CD2-CG1 4.08Å; L133-V151 HydrophobicContact CD2-CG2 4.11Å; L133-V151 HydrophobicContact CG-CB 4.14Å; L133-V151 HydrophobicContact CG-CG1 3.93Å; M147-V151 WeakPolarHBondContact O-CB 3.25Å; M147-V151 WeakPolarHBondContact O-CG2 3.47Å; M147-V151 PolarHBondContact O-N 3.28Å; M147-V151 HydrophobicContact SD-CG2 3.96Å; V151-H153 VanDerWaalsContact C-N 3.33Å; V151-H153 PolarHBondContact O-N 3.15Å; V151-T156 PolarHBondContact O-OG1 3.23Å
152N98.5Very high98.4Very high0 Ų017.2 Ų17.20%010%0.104CC..Iπ-helixtrans-72.1-30.5-170-67.7-1.5000112.4G132 L133 T148 T156 S209 N213G132-N152 WeakPolarHBondContact CA-OD1 3.45Å; L133-N152 PolarHBondContact N-OD1 3.15Å; L133-N152 PolarHBondContact O-ND2 3.3Å; L133-N152 PolarHBondContact O-OD1 3.11Å; T148-N152 WeakPolarHBondContact O-CB 3.24Å; T148-N152 PolarHBondContact O-N 3.25Å; N152-T156 PolarHBondContact O-OG1 3.46Å; N152-S209 PolarHBondContact ND2-OG 3.36Å; N152-N213 PolarHBondContact O-ND2 3.23Å; N152-N213 PolarHBondContact O-OD1 3.39Å
153H98.7Very high98.4Very high0 Ų011.5 Ų11.50%07%0.07CC..Iπ-helixtrans-122.9-65-173.2-178.454000113.1M149 V151 G155 T156 F157 A212 F309M149-H153 WeakPolarHBondContact O-CA 3.41Å; M149-H153 WeakPolarHBondContact O-CB 3.39Å; M149-H153 PolarHBondContact O-N 3.38Å; M149-H153 HydrophobicContact SD-CB 3.68Å; V151-H153 VanDerWaalsContact C-N 3.33Å; V151-H153 PolarHBondContact O-N 3.15Å; H153-G155 PolarHBondContact O-N 3.22Å; H153-T156 CarbonylContact O-C 3.44Å; H153-T156 WeakPolarHBondContact O-CB 3.48Å; H153-T156 PolarHBondContact O-N 2.78Å; H153-T156 VanDerWaalsContact O-N 3.11Å; H153-F157 AromaticContact CE1-CD2 3.83Å; H153-F157 VanDerWaalsContact O-CB 3.32Å; H153-F157 WeakPolarHBondContact O-CB 3.39Å; H153-F157 PolarHBondContact O-N 3.17Å; H153-A212 HydrophobicContact CB-CB 3.93Å; H153-A212 VanDerWaalsContact CG-CB 3.45Å; H153-F309 AromaticContact CE1-CZ 3.28Å; H153-F309 WeakPolarHBondContact CE1-CZ 3.4Å; H153-F309 AromaticContact NE2-CE2 3.67Å; H153-F309 AromaticContact NE2-CZ 3.23Å; H153-F309 WeakPolarHBondContact NE2-CZ 3.27Å
154F98.7Very high98.4Very high0 Ų08.5 Ų8.50%05%0.054CC..Iπ-helixtrans-60.6-47.5-170.8-67-47.5000113.2F145 M149 G150 T156 F157 L158 L193 Q194 T313 L316 L317F145-F154 HydrophobicContact CB-CD2 3.82Å; F145-F154 HydrophobicContact CB-CE2 4.19Å; F145-F154 AromaticContact CD1-CD2 3.54Å; F145-F154 HydrophobicContact CD1-CD2 3.54Å; F145-F154 AromaticContact CD1-CE2 3.56Å; F145-F154 HydrophobicContact CD1-CE2 3.56Å; F145-F154 HydrophobicContact CD1-CG 4.34Å; F145-F154 HydrophobicContact CD1-CZ 4.37Å; F145-F154 HydrophobicContact CD2-CD2 4.21Å; F145-F154 HydrophobicContact CE1-CD2 4.17Å; F145-F154 HydrophobicContact CE1-CE2 4.22Å; F145-F154 AromaticContact CG-CD2 3.58Å; F145-F154 HydrophobicContact CG-CD2 3.58Å; F145-F154 HydrophobicContact CG-CE2 4.02Å; F145-F154 HydrophobicContact CG-CG 4.4Å; M149-F154 HydrophobicContact CB-CE2 4.25Å; M149-F154 HydrophobicContact CG-CD2 3.94Å; M149-F154 HydrophobicContact CG-CE2 3.48Å; M149-F154 VanDerWaalsContact CG-CE2 3.48Å; M149-F154 HydrophobicContact CG-CZ 3.88Å; M149-F154 PolarHBondContact O-N 3.37Å; G150-F154 PolarHBondContact O-N 3.21Å; F154-T156 VanDerWaalsContact C-N 3.32Å; F154-T156 PolarHBondContact O-N 2.73Å; F154-F157 PolarHBondContact O-N 3.35Å; F154-L158 PolarHBondContact O-N 3.36Å; F154-L193 HydrophobicContact CE1-CB 4.38Å; F154-L193 HydrophobicContact CE1-CD1 4.26Å; F154-L193 HydrophobicContact CZ-CB 3.99Å; F154-Q194 HydrophobicContact CE2-CB 4.49Å; F154-T313 HydrophobicContact CD1-CG2 4.13Å; F154-T313 HydrophobicContact CE1-CG2 4.38Å; F154-L316 HydrophobicContact CE1-CD1 3.83Å; F154-L316 HydrophobicContact CZ-CD1 3.73Å; F154-L317 HydrophobicContact CB-CD2 4.11Å
155G98.7Very high98.4Very high1 Ų110.1 Ų10.11%0.016%0.057CC..Hα-helixtrans-64.8-38.3175.900000112.4I110 G150 H153 L159I110-G155 WeakPolarHBondContact CD1-O 3.43Å; G150-G155 PolarHBondContact O-N 3.16Å; H153-G155 PolarHBondContact O-N 3.22Å; G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 2.68Å
156T98.6Very high98.4Very high1 Ų19.3 Ų9.31%0.0065%0.053CC..Hα-helixtrans-66.3-39.6176.5-68.20000112.2N129 V151 N152 H153 F154 T160N129-T156 HydrophobicContact CB-CG2 3.57Å; N129-T156 VanDerWaalsContact CG-CG2 3.45Å; V151-T156 PolarHBondContact O-OG1 3.23Å; N152-T156 PolarHBondContact O-OG1 3.46Å; H153-T156 CarbonylContact O-C 3.44Å; H153-T156 WeakPolarHBondContact O-CB 3.48Å; H153-T156 PolarHBondContact O-N 2.78Å; H153-T156 VanDerWaalsContact O-N 3.11Å; F154-T156 VanDerWaalsContact C-N 3.32Å; F154-T156 PolarHBondContact O-N 2.73Å; T156-T160 WeakPolarHBondContact O-CB 3.32Å; T156-T160 PolarHBondContact O-N 3.26Å; T156-T160 PolarHBondContact O-OG1 2.97Å
157F98.7Very high98.4Very high0 Ų09.3 Ų9.30%05%0.053CC..Hα-helixtrans-63.5-52.6175.8-172.7-80000109.8H153 F154 L159 T160 E161 H216 W310 T313 L317 I319H153-F157 AromaticContact CE1-CD2 3.83Å; H153-F157 VanDerWaalsContact O-CB 3.32Å; H153-F157 WeakPolarHBondContact O-CB 3.39Å; H153-F157 PolarHBondContact O-N 3.17Å; F154-F157 PolarHBondContact O-N 3.35Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.24Å; F157-T160 WeakPolarHBondContact O-CB 3.21Å; F157-T160 PolarHBondContact O-N 3.35Å; F157-T160 VanDerWaalsContact O-N 3.1Å; F157-E161 HydrophobicContact CD1-CG 3.83Å; F157-E161 HydrophobicContact CE1-CG 3.57Å; F157-E161 HydrophobicContact CZ-CG 4.2Å; F157-E161 PolarHBondContact O-N 3.25Å; F157-H216 AromaticContact CD2-CD2 3.45Å; F157-H216 VanDerWaalsContact CD2-CD2 3.45Å; F157-H216 WeakPolarHBondContact CD2-CD2 3.39Å; F157-H216 AromaticContact CD2-CE1 3.7Å; F157-H216 AromaticContact CD2-CG 3.74Å; F157-H216 AromaticContact CD2-ND1 3.87Å; F157-H216 AromaticContact CD2-NE2 3.46Å; F157-H216 WeakPolarHBondContact CD2-NE2 3.12Å; F157-H216 AromaticContact CE2-CD2 3.53Å; F157-H216 AromaticContact CE2-NE2 3.72Å; F157-W310 HydrophobicContact CE2-CD2 4.23Å; F157-W310 AromaticContact CE2-CE3 3.7Å; F157-W310 HydrophobicContact CE2-CE3 3.7Å; F157-W310 HydrophobicContact CE2-CH2 4.06Å; F157-W310 AromaticContact CE2-CZ3 3.62Å; F157-W310 HydrophobicContact CE2-CZ3 3.62Å; F157-W310 AromaticContact CZ-CD2 3.98Å; F157-W310 HydrophobicContact CZ-CD2 3.98Å; F157-W310 AromaticContact CZ-CE2 3.99Å; F157-W310 AromaticContact CZ-CE3 3.87Å; F157-W310 HydrophobicContact CZ-CE3 3.87Å; F157-W310 AromaticContact CZ-CH2 3.76Å; F157-W310 HydrophobicContact CZ-CH2 3.76Å; F157-W310 AromaticContact CZ-CZ2 3.86Å; F157-W310 HydrophobicContact CZ-CZ2 3.86Å; F157-W310 AromaticContact CZ-CZ3 3.78Å; F157-W310 HydrophobicContact CZ-CZ3 3.78Å; F157-T313 HydrophobicContact CB-CG2 4.16Å; F157-T313 HydrophobicContact CD1-CG2 3.64Å; F157-T313 HydrophobicContact CD2-CG2 3.64Å; F157-T313 HydrophobicContact CE1-CG2 3.82Å; F157-T313 HydrophobicContact CE2-CG2 3.84Å; F157-T313 HydrophobicContact CG-CG2 3.54Å; F157-T313 HydrophobicContact CZ-CG2 3.93Å; F157-L317 HydrophobicContact CB-CD1 4.19Å; F157-L317 HydrophobicContact CD1-CD1 3.47Å; F157-L317 VanDerWaalsContact CD1-CD1 3.47Å; F157-L317 HydrophobicContact CE1-CD1 4.22Å; F157-L317 HydrophobicContact CG-CD1 4.16Å; F157-I319 HydrophobicContact CD1-CD1 4.22Å; F157-I319 HydrophobicContact CE1-CD1 3.76Å
158L98.7Very high98.3Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-58-45177.6-178.263.6000112L107 I110 F154 T160 E161 L162 L317 I319L107-L158 HydrophobicContact CB-CD2 3.85Å; L107-L158 HydrophobicContact CD2-CD2 3.65Å; L107-L158 HydrophobicContact CG-CD2 4.17Å; I110-L158 HydrophobicContact CB-CD2 4.26Å; I110-L158 HydrophobicContact CD1-CD2 4.37Å; I110-L158 HydrophobicContact CG2-CB 4.4Å; I110-L158 HydrophobicContact CG2-CD2 4.08Å; I110-L158 HydrophobicContact CG2-CG 4Å; F154-L158 PolarHBondContact O-N 3.36Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 3.23Å; L158-E161 PolarHBondContact O-N 2.89Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CD2 4.39Å; L158-L162 HydrophobicContact CD1-CG 3.87Å; L158-L162 HydrophobicContact CD2-CD1 4.38Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 HydrophobicContact CG-CG 4.24Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 VanDerWaalsContact O-CG 3.25Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.24Å; L158-L317 HydrophobicContact CB-CD1 4.19Å; L158-I319 HydrophobicContact CD1-CG2 3.77Å
159L98.8Very high98.3Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-56.7-45.3176.8175.366000111.4T26 L102 L104 I110 F113 V114 L127 G155 F157 L163T26-L159 HydrophobicContact CG2-CD2 3.68Å; L102-L159 HydrophobicContact CD2-CD2 3.93Å; L104-L159 HydrophobicContact CD2-CB 4.49Å; L104-L159 HydrophobicContact CD2-CD2 4.24Å; I110-L159 HydrophobicContact CG2-CB 3.95Å; I110-L159 HydrophobicContact CG2-CD1 4.27Å; F113-L159 HydrophobicContact CD1-CD1 3.73Å; F113-L159 HydrophobicContact CE1-CD1 3.76Å; V114-L159 HydrophobicContact CG2-CD1 3.71Å; L127-L159 HydrophobicContact CD1-CD2 4.27Å; G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 2.68Å; F157-L159 VanDerWaalsContact C-N 3.33Å; F157-L159 PolarHBondContact O-N 3.24Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.32Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 2.87Å; L159-L163 VanDerWaalsContact O-N 3.17Å
160T98.7Very high98.3Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-62.9-54.7-179.8-57.50000110.2L127 N129 T156 F157 L158 L162 L163 L164 I175 L220L127-T160 HydrophobicContact CD2-CG2 4.3Å; N129-T160 PolarHBondContact ND2-OG1 3.46Å; T156-T160 WeakPolarHBondContact O-CB 3.32Å; T156-T160 PolarHBondContact O-N 3.26Å; T156-T160 PolarHBondContact O-OG1 2.97Å; F157-T160 WeakPolarHBondContact O-CB 3.21Å; F157-T160 PolarHBondContact O-N 3.35Å; F157-T160 VanDerWaalsContact O-N 3.1Å; L158-T160 VanDerWaalsContact C-N 3.28Å; L158-T160 PolarHBondContact O-N 3.23Å; T160-L162 VanDerWaalsContact C-N 3.31Å; T160-L162 PolarHBondContact O-N 3.31Å; T160-L163 PolarHBondContact O-N 2.81Å; T160-L164 HydrophobicContact CG2-CD2 4.44Å; T160-L164 WeakPolarHBondContact O-CG 3.33Å; T160-L164 PolarHBondContact O-N 3.27Å; T160-I175 HydrophobicContact CG2-CD1 3.67Å; T160-I175 HydrophobicContact CG2-CG2 4.04Å; T160-L220 HydrophobicContact CG2-CD2 3.63Å
161E97.9Very high98.2Very high21 Ų2123.2 Ų23.210%0.09811%0.114CC..Hα-helixtrans-56.5-43.7-178.5-69.5-51.2104.700112.4F157 L158 L163 L164 W310 I319 T323F157-E161 HydrophobicContact CD1-CG 3.83Å; F157-E161 HydrophobicContact CE1-CG 3.57Å; F157-E161 HydrophobicContact CZ-CG 4.2Å; F157-E161 PolarHBondContact O-N 3.25Å; L158-E161 PolarHBondContact O-N 2.89Å; E161-L163 VanDerWaalsContact C-N 3.31Å; E161-L163 PolarHBondContact O-N 3.39Å; E161-L164 WeakPolarHBondContact O-CB 3.39Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-L164 WeakPolarHBondContact OE1-CD1 3Å; E161-W310 VanDerWaalsContact OE1-CH2 3.31Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.38Å; E161-I319 HydrophobicContact CB-CD1 4.12Å; E161-I319 HydrophobicContact CG-CD1 3.87Å; E161-T323 PolarHBondContact OE2-OG1 2.87Å
162L98.2Very high98.2Very high53 Ų5327.5 Ų27.528%0.27714%0.142SC..Hα-helixtrans-70-26.1179.8-66178.4000113.2I110 R111 V114 L158 T160I110-L162 HydrophobicContact CG2-CD1 4.26Å; R111-L162 HydrophobicContact CG-CD1 3.86Å; V114-L162 HydrophobicContact CB-CB 4.25Å; V114-L162 HydrophobicContact CG1-CB 3.88Å; V114-L162 HydrophobicContact CG2-CB 3.95Å; V114-L162 HydrophobicContact CG2-CD1 4.39Å; L158-L162 HydrophobicContact CD1-CD1 3.8Å; L158-L162 HydrophobicContact CD1-CD2 4.39Å; L158-L162 HydrophobicContact CD1-CG 3.87Å; L158-L162 HydrophobicContact CD2-CD1 4.38Å; L158-L162 HydrophobicContact CG-CD1 3.8Å; L158-L162 HydrophobicContact CG-CG 4.24Å; L158-L162 WeakPolarHBondContact O-CB 3.44Å; L158-L162 VanDerWaalsContact O-CG 3.25Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 3.24Å; T160-L162 VanDerWaalsContact C-N 3.31Å; T160-L162 PolarHBondContact O-N 3.31Å
163L98.5Very high98.2Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-87-14.5176.4-74172.3000113.4I24 V114 I117 L124 L127 L159 T160 E161 P165 L166 M167I24-L163 HydrophobicContact CD1-CD1 3.86Å; I24-L163 HydrophobicContact CD1-CD2 4.5Å; V114-L163 HydrophobicContact CG1-CD2 3.95Å; V114-L163 HydrophobicContact CG1-CG 4.34Å; V114-L163 HydrophobicContact CG2-CD2 4.17Å; V114-L163 HydrophobicContact CG2-CG 3.98Å; I117-L163 HydrophobicContact CB-CD2 4.41Å; I117-L163 HydrophobicContact CG2-CD2 4.03Å; L124-L163 HydrophobicContact CD2-CB 4.35Å; L124-L163 HydrophobicContact CD2-CD1 4.01Å; L124-L163 HydrophobicContact CD2-CD2 4.06Å; L124-L163 HydrophobicContact CD2-CG 4.38Å; L127-L163 HydrophobicContact CD1-CD1 4Å; L127-L163 HydrophobicContact CD2-CD1 4.09Å; L159-L163 HydrophobicContact CD1-CD1 3.67Å; L159-L163 HydrophobicContact CD1-CG 4.32Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 WeakPolarHBondContact O-CB 3.26Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 2.87Å; L159-L163 VanDerWaalsContact O-N 3.17Å; T160-L163 PolarHBondContact O-N 2.81Å; E161-L163 VanDerWaalsContact C-N 3.31Å; E161-L163 PolarHBondContact O-N 3.39Å; L163-P165 VanDerWaalsContact C-CD 3.49Å; L163-L166 HydrophobicContact CD2-CD2 4.45Å; L163-L166 WeakPolarHBondContact O-CB 3.48Å; L163-L166 PolarHBondContact O-N 2.81Å; L163-M167 WeakPolarHBondContact O-CG 3.46Å; L163-M167 PolarHBondContact O-N 3.04Å
164L98.1Very high98.2Very high4 Ų428.9 Ų28.92%0.02115%0.148CC..Hα-helixtrans-52.9-42.9-177-74.2-178.6000114.4T160 E161 L166 M167 K168 I175 L220 L224 I229 T323T160-L164 HydrophobicContact CG2-CD2 4.44Å; T160-L164 WeakPolarHBondContact O-CG 3.33Å; T160-L164 PolarHBondContact O-N 3.27Å; E161-L164 WeakPolarHBondContact O-CB 3.39Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-L164 WeakPolarHBondContact OE1-CD1 3Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 3.38Å; L164-M167 PolarHBondContact O-N 2.91Å; L164-M167 VanDerWaalsContact O-N 3.16Å; L164-K168 WeakPolarHBondContact O-CB 3.14Å; L164-K168 WeakPolarHBondContact O-CG 3.39Å; L164-K168 PolarHBondContact O-N 3.4Å; L164-I175 HydrophobicContact CD2-CD1 3.63Å; L164-L220 HydrophobicContact CD1-CD1 4.17Å; L164-L224 HydrophobicContact CD2-CD1 3.73Å; L164-I229 HydrophobicContact CD2-CD1 4.44Å; L164-T323 HydrophobicContact CD1-CG2 3.22Å
165P96.7Very high98.2Very high73 Ų7328.9 Ų28.947%0.47415%0.148SC..Hα-helixtrans-59.4-38.3177.6-25.735.8000113.1L163 R169L163-P165 VanDerWaalsContact C-CD 3.49Å; P165-R169 PolarHBondContact O-N 3.47Å; P165-R169 PolarHBondContact O-NH1 2.92Å
166L98.2Very high98.2Very high1 Ų128.9 Ų28.91%0.00515%0.147CC..Hα-helixtrans-69-44.5175.5-179.362.4000110.5I117 I118 P122 L124 L163 L164 K168 R169 S170I117-L166 HydrophobicContact CG2-CD2 3.9Å; I118-L166 HydrophobicContact CG2-CB 4.45Å; I118-L166 HydrophobicContact CG2-CD2 4.37Å; P122-L166 WeakPolarHBondContact O-CD1 3.44Å; L124-L166 HydrophobicContact CB-CD2 3.67Å; L124-L166 HydrophobicContact CB-CG 3.85Å; L124-L166 HydrophobicContact CD2-CD2 4.31Å; L163-L166 HydrophobicContact CD2-CD2 4.45Å; L163-L166 WeakPolarHBondContact O-CB 3.48Å; L163-L166 PolarHBondContact O-N 2.81Å; L164-L166 VanDerWaalsContact C-N 3.28Å; L164-L166 PolarHBondContact O-N 3.38Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 3.47Å; L166-R169 PolarHBondContact O-N 2.92Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.8Å
167M98.5Very high98.2Very high0 Ų028.8 Ų28.80%015%0.147CC..Hα-helixtrans-65.2-34.4-179.9-64.1-166.174.500113.3L124 L127 L163 L164 R169 S170 S173 R174 I175 I229L124-M167 HydrophobicContact CB-CG 4.49Å; L124-M167 HydrophobicContact CD2-CG 3.87Å; L124-M167 HydrophobicContact CD2-SD 4.28Å; L124-M167 HydrophobicContact CG-CG 4.2Å; L127-M167 HydrophobicContact CB-CE 3.82Å; L127-M167 HydrophobicContact CB-SD 3.77Å; L127-M167 HydrophobicContact CD2-SD 4.13Å; L163-M167 WeakPolarHBondContact O-CG 3.46Å; L163-M167 PolarHBondContact O-N 3.04Å; L164-M167 PolarHBondContact O-N 2.91Å; L164-M167 VanDerWaalsContact O-N 3.16Å; M167-R169 VanDerWaalsContact C-N 3.35Å; M167-S170 PolarHBondContact O-N 3.25Å; M167-S170 VanDerWaalsContact O-N 3.15Å; M167-S173 PolarHBondContact O-OG 2.95Å; M167-R174 VanDerWaalsContact CE-O 3.3Å; M167-R174 WeakPolarHBondContact CE-O 3.16Å; M167-I175 HydrophobicContact CE-CD1 4.29Å; M167-I175 HydrophobicContact CE-CG1 3.46Å; M167-I175 VanDerWaalsContact CE-CG1 3.46Å; M167-I175 HydrophobicContact SD-CD1 3.89Å; M167-I175 HydrophobicContact SD-CG1 3.58Å; M167-I175 VanDerWaalsContact SD-CG1 3.58Å; M167-I229 HydrophobicContact CB-CD1 4.02Å
168K97.7Very high98.2Very high91 Ų9129.1 Ų29.140%0.39615%0.148SC..Hα-helixtrans-63.6-37.1175-76.4-179.9179.7-179.40112.2L164 L166 S170 T171 I229L164-K168 WeakPolarHBondContact O-CB 3.14Å; L164-K168 WeakPolarHBondContact O-CG 3.39Å; L164-K168 PolarHBondContact O-N 3.4Å; L166-K168 VanDerWaalsContact C-N 3.34Å; L166-K168 PolarHBondContact O-N 3.47Å; K168-S170 VanDerWaalsContact C-N 3.26Å; K168-S170 PolarHBondContact O-N 2.67Å; K168-T171 WeakPolarHBondContact O-CG2 3.46Å; K168-T171 PolarHBondContact O-OG1 2.67Å; K168-I229 HydrophobicContact CB-CD1 4.36Å; K168-I229 HydrophobicContact CG-CD1 3.6Å
169R96.5Very high98.2Very high161 Ų16129.2 Ų29.261%0.60815%0.149SC*.Hα-helixtrans-75.5-15.3174.8-64.2-170.8-55.8-95.94.7113.6P165 L166 M167P165-R169 PolarHBondContact O-N 3.47Å; P165-R169 PolarHBondContact O-NH1 2.92Å; L166-R169 PolarHBondContact O-N 2.92Å; M167-R169 VanDerWaalsContact C-N 3.35Å
170S98.4Very high97.9Very high5 Ų530 Ų304%0.03516%0.155CC..THydrogen-bonded Turntrans-103.620.5-173.3-49.60000112.6E123 L124 L166 M167 K168 P172E123-S170 WeakPolarHBondContact CA-OG 3.23Å; L124-S170 PolarHBondContact N-OG 3.06Å; L124-S170 WeakPolarHBondContact O-CB 3.22Å; L124-S170 PolarHBondContact O-OG 3.16Å; L166-S170 PolarHBondContact O-N 3.15Å; L166-S170 PolarHBondContact O-OG 2.8Å; M167-S170 PolarHBondContact O-N 3.25Å; M167-S170 VanDerWaalsContact O-N 3.15Å; K168-S170 VanDerWaalsContact C-N 3.26Å; K168-S170 PolarHBondContact O-N 2.67Å; S170-P172 CarbonylContact O-C 3.34Å
171T97.7Very high97.7Very high65 Ų6535.6 Ų35.640%0.39918%0.182SC..  trans-69.1144-172.950.90000111.1K168 S227 I229K168-T171 WeakPolarHBondContact O-CG2 3.46Å; K168-T171 PolarHBondContact O-OG1 2.67Å; T171-S227 WeakPolarHBondContact CG2-O 3.19Å; T171-I229 HydrophobicContact CG2-CG1 4.03Å
172P97.8Very high97.5Very high101 Ų10135.4 Ų35.466%0.65619%0.185SC*.SBendcis-70.9132-2.530.6-34.9000112S170S170-P172 CarbonylContact O-C 3.34Å
173S98.6Very high97.4Very high0 Ų032.9 Ų32.90%017%0.171CC..EExtended strand (participates in β ladder)trans-131.5162.1178.965.60000111.3H125 M167 G228 I229 T230H125-S173 CarbonylContact O-C 3.59Å; H125-S173 WeakPolarHBondContact O-CA 3.4Å; H125-S173 WeakPolarHBondContact O-CB 3.36Å; M167-S173 PolarHBondContact O-OG 2.95Å; S173-G228 PolarHBondContact N-O 3.25Å; S173-I229 WeakPolarHBondContact O-CA 3.45Å; S173-I229 WeakPolarHBondContact OG-CG1 3.4Å; S173-T230 PolarHBondContact O-N 3.32Å
174R98.8Very high97.3Very high30 Ų3037.7 Ų37.711%0.11319%0.19CC..EExtended strand (participates in β ladder)trans-138139.9-175.6-46.6-175.2-178.7-171.9-3.7113.5H125 F126 L127 M167 I176 T230 T276 V277 S279 D280 L282H125-R174 PolarHBondContact O-N 3.26Å; F126-R174 CarbonylContact C-O 3.52Å; F126-R174 WeakPolarHBondContact CA-O 3.17Å; F126-R174 HydrophobicContact CD1-CB 4.01Å; F126-R174 HydrophobicContact CD1-CG 4.12Å; F126-R174 HydrophobicContact CE1-CB 4.46Å; F126-R174 HydrophobicContact CE1-CG 4.06Å; L127-R174 PolarHBondContact N-O 3.15Å; M167-R174 VanDerWaalsContact CE-O 3.3Å; M167-R174 WeakPolarHBondContact CE-O 3.16Å; R174-I176 HydrophobicContact CB-CD1 3.83Å; R174-T230 CarbonylContact C-O 3.59Å; R174-T230 WeakPolarHBondContact CA-O 3.3Å; R174-T276 WeakPolarHBondContact CD-O 3.13Å; R174-T276 PolarHBondContact NH1-O 3.39Å; R174-V277 PolarHBondContact NH1-O 2.76Å; R174-S279 PolarHBondContact NH1-O 2.7Å; R174-S279 PolarHBondContact NH2-O 3.02Å; R174-D280 IonicContact NH2-OD1 3.97Å; R174-L282 VanDerWaalsContact NH1-CD1 3.25Å
175I98.9Very high97.2Very high0 Ų045 Ų450%022%0.222CC..EExtended strand (participates in β ladder)trans-114123.2172.8-58168.3000108.1L127 T160 L164 M167 L220 L224 I229 T230 V231 V232L127-I175 HydrophobicContact CB-CG1 4.35Å; L127-I175 HydrophobicContact CD2-CG2 4.35Å; L127-I175 WeakPolarHBondContact O-CA 3.33Å; T160-I175 HydrophobicContact CG2-CD1 3.67Å; T160-I175 HydrophobicContact CG2-CG2 4.04Å; L164-I175 HydrophobicContact CD2-CD1 3.63Å; M167-I175 HydrophobicContact CE-CD1 4.29Å; M167-I175 HydrophobicContact CE-CG1 3.46Å; M167-I175 VanDerWaalsContact CE-CG1 3.46Å; M167-I175 HydrophobicContact SD-CD1 3.89Å; M167-I175 HydrophobicContact SD-CG1 3.58Å; M167-I175 VanDerWaalsContact SD-CG1 3.58Å; I175-L220 HydrophobicContact CD1-CD2 3.84Å; I175-L224 HydrophobicContact CD1-CD1 4.31Å; I175-I229 HydrophobicContact CD1-CG2 4.07Å; I175-I229 HydrophobicContact CG1-CG2 4.22Å; I175-T230 PolarHBondContact N-O 2.82Å; I175-V231 HydrophobicContact CB-CG1 4.18Å; I175-V231 HydrophobicContact CB-CG2 4.21Å; I175-V231 HydrophobicContact CD1-CG2 4.21Å; I175-V231 HydrophobicContact CG2-CG1 4.37Å; I175-V231 WeakPolarHBondContact O-CA 3.33Å; I175-V232 PolarHBondContact O-N 3.29Å
176I98.9Very high97.3Very high0 Ų042.2 Ų42.20%021%0.206CC..EExtended strand (participates in β ladder)trans-119.9109.7-177.7-58.691.2000108.9L127 I128 N129 R174 L178 V232 V234 T273 V277L127-I176 PolarHBondContact O-N 3Å; I128-I176 HydrophobicContact CG1-CD1 4.33Å; N129-I176 PolarHBondContact N-O 3.35Å; R174-I176 HydrophobicContact CB-CD1 3.83Å; I176-L178 HydrophobicContact CG2-CD2 4.24Å; I176-V232 HydrophobicContact CB-CG2 4.41Å; I176-V232 HydrophobicContact CG1-CG2 3.93Å; I176-V232 HydrophobicContact CG2-CG2 4.27Å; I176-V234 HydrophobicContact CG2-CB 4.3Å; I176-V234 HydrophobicContact CG2-CG2 3.65Å; I176-T273 HydrophobicContact CG2-CG2 4.25Å; I176-V277 HydrophobicContact CD1-CG2 4Å
177N98.9Very high97.2Very high0 Ų048 Ų480%023%0.233CC..EExtended strand (participates in β ladder)trans-94.9120.9178.2-70.3-5.9000111.1N129 S179 H216 A217 V232 S233 V234N129-N177 PolarHBondContact ND2-OD1 3.45Å; N177-S179 PolarHBondContact O-N 3.15Å; N177-S179 VanDerWaalsContact O-N 3.13Å; N177-H216 PolarHBondContact ND2-ND1 2.89Å; N177-H216 VanDerWaalsContact ND2-ND1 3.17Å; N177-A217 HydrophobicContact CB-CB 4.36Å; N177-V232 PolarHBondContact N-O 3.16Å; N177-S233 CarbonylContact O-C 3.46Å; N177-S233 VanDerWaalsContact O-CA 3.25Å; N177-S233 WeakPolarHBondContact O-CA 3.46Å; N177-V234 PolarHBondContact O-N 2.58Å
178L98.3Very high97.2Very high6 Ų649.3 Ų49.33%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-76.6106.3176.1-81.8-69000110.5I128 N129 N130 I176 K210 N213 V234 P236 T273I128-L178 HydrophobicContact CG2-CD2 4.02Å; N129-L178 WeakPolarHBondContact O-CB 3.02Å; N129-L178 PolarHBondContact O-N 2.92Å; N130-L178 HydrophobicContact CB-CD2 3.97Å; N130-L178 HydrophobicContact CB-CG 4.13Å; I176-L178 HydrophobicContact CG2-CD2 4.24Å; L178-K210 PolarHBondContact O-NZ 3.49Å; L178-N213 PolarHBondContact O-ND2 3.19Å; L178-N213 VanDerWaalsContact O-ND2 3.1Å; L178-V234 HydrophobicContact CD1-CB 4.21Å; L178-V234 HydrophobicContact CD1-CG1 4Å; L178-P236 HydrophobicContact CD1-CB 4.37Å; L178-P236 HydrophobicContact CD1-CG 4.29Å; L178-T273 HydrophobicContact CD2-CG2 4.49Å
179S97.3Very high97.2Very high2 Ų246.5 Ų46.51%0.01423%0.229CC..  trans-96.4-157.2168.9-173.40000109.9N177 K210 V234N177-S179 PolarHBondContact O-N 3.15Å; N177-S179 VanDerWaalsContact O-N 3.13Å; S179-K210 PolarHBondContact OG-O 2.85Å; S179-V234 CarbonylContact C-O 3.45Å; S179-V234 WeakPolarHBondContact CA-O 3.39Å; S179-V234 PolarHBondContact N-O 2.99Å
180S94.2Very high97.2Very high18 Ų1843.9 Ų43.913%0.12622%0.221CC..  trans-162.4166.2178.3-178.20000110.5A182 H183 H235S180-A182 PolarHBondContact O-N 2.98Å; S180-A182 PolarHBondContact OG-N 3.32Å; S180-H183 WeakPolarHBondContact O-CB 3.31Å; S180-H183 PolarHBondContact O-N 3.36Å; S180-H183 VanDerWaalsContact O-N 3.1Å; S180-H183 PolarHBondContact O-ND1 2.89Å; S180-H235 WeakPolarHBondContact CA-ND1 3.44Å
181M93.2Very high97Very high116 Ų11647 Ų4757%0.57124%0.242SC*.G310 helixtrans-57.6-20.8161.5-80.8170.172.800112.6H183 Y184 H235M181-H183 PolarHBondContact O-N 3.46Å; M181-H183 VanDerWaalsContact O-N 3.12Å; M181-Y184 HydrophobicContact CB-CD2 4.46Å; M181-Y184 HydrophobicContact CG-CE2 4.44Å; M181-Y184 VanDerWaalsContact O-CD2 3.3Å; M181-Y184 WeakPolarHBondContact O-CD2 3.37Å; M181-Y184 PolarHBondContact O-N 3.44Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; M181-H235 VanDerWaalsContact CG-CD2 3.45Å; M181-H235 WeakPolarHBondContact CG-CD2 3.25Å; M181-H235 WeakPolarHBondContact CG-NE2 3.42Å; M181-H235 PolarHBondContact N-ND1 3.26Å; M181-H235 PolarHBondContact SD-NE2 3.32Å; M181-H235 VanDerWaalsContact SD-NE2 3.36Å
182A93.6Very high96.9Very high18 Ų1846.4 Ų46.415%0.14924%0.236CC..G310 helixtrans-56.3-25.4172.500000113.1S180 Y184 K185 G186 Y206 C207 K210S180-A182 PolarHBondContact O-N 2.98Å; S180-A182 PolarHBondContact OG-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.42Å; A182-K185 PolarHBondContact O-N 3.32Å; A182-G186 PolarHBondContact O-N 3.1Å; A182-Y206 HydrophobicContact CB-CD1 3.75Å; A182-Y206 HydrophobicContact CB-CE1 3.7Å; A182-C207 WeakPolarHBondContact O-CB 3.09Å; A182-K210 HydrophobicContact CB-CB 4.41Å; A182-K210 HydrophobicContact CB-CG 4.49Å
183H97.1Very high96.9Very high0 Ų041.9 Ų41.90%021%0.206CC..G310 helixtrans-60.7-27.6178.490.7-88.1000113.4S180 M181 K185 G186 K210 L211 Y287 S297S180-H183 WeakPolarHBondContact O-CB 3.31Å; S180-H183 PolarHBondContact O-N 3.36Å; S180-H183 VanDerWaalsContact O-N 3.1Å; S180-H183 PolarHBondContact O-ND1 2.89Å; M181-H183 PolarHBondContact O-N 3.46Å; M181-H183 VanDerWaalsContact O-N 3.12Å; H183-K185 PolarHBondContact O-N 3.4Å; H183-G186 PolarHBondContact O-N 3.07Å; H183-K210 HydrophobicContact CB-CB 4.29Å; H183-K210 WeakPolarHBondContact CB-O 3.04Å; H183-L211 HydrophobicContact CB-CB 4.37Å; H183-Y287 AromaticContact CE1-CE1 3.73Å; H183-Y287 AromaticContact CE1-CE2 3.79Å; H183-Y287 AromaticContact CE1-CZ 3.41Å; H183-Y287 VanDerWaalsContact CE1-CZ 3.41Å; H183-Y287 PolarHBondContact CE1-OH 2.93Å; H183-Y287 AromaticContact ND1-CE2 3.91Å; H183-Y287 AromaticContact ND1-CZ 3.76Å; H183-S297 PolarHBondContact NE2-N 2.75Å
184Y96.4Very high96.8Very high101 Ų10143.3 Ų43.340%0.39621%0.213SC..G310 helixtrans-67.9-17176.3-68-74.9000113M181 A182 Y287 E295M181-Y184 HydrophobicContact CB-CD2 4.46Å; M181-Y184 HydrophobicContact CG-CE2 4.44Å; M181-Y184 VanDerWaalsContact O-CD2 3.3Å; M181-Y184 WeakPolarHBondContact O-CD2 3.37Å; M181-Y184 PolarHBondContact O-N 3.44Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; A182-Y184 PolarHBondContact O-N 3.42Å; Y184-Y287 HydrophobicContact CE2-CE1 4.48Å; Y184-E295 PolarHBondContact OH-O 3.09Å
185K96.4Very high96.8Very high158 Ų15842.6 Ų42.669%0.68721%0.211SC*.G310 helixtrans-110.15.6176.9-61.5-60.9-174.4-1780112.4A182 H183 H187 C207A182-K185 PolarHBondContact O-N 3.32Å; H183-K185 PolarHBondContact O-N 3.4Å; K185-H187 PolarHBondContact O-CE1 2.81Å; K185-H187 VanDerWaalsContact O-CE1 3.25Å; K185-H187 PolarHBondContact O-ND1 3.34Å; K185-C207 HydrophobicContact CB-CB 4.45Å
186G97.2Very high96.7Very high13 Ų1347.9 Ų47.913%0.13423%0.234CC..  trans-78.1154175.200000111.5A182 H183 D208A182-G186 PolarHBondContact O-N 3.1Å; H183-G186 PolarHBondContact O-N 3.07Å; G186-D208 WeakPolarHBondContact CA-OD1 3.44Å
187H97.7Very high96.6Very high123 Ų12354.5 Ų54.557%0.56927%0.265SS*.  trans-120.5139.6177.2-54.480.9000109K185 I189 D208K185-H187 PolarHBondContact O-CE1 2.81Å; K185-H187 VanDerWaalsContact O-CE1 3.25Å; K185-H187 PolarHBondContact O-ND1 3.34Å; H187-I189 PolarHBondContact O-N 2.93Å; H187-D208 PolarHBondContact N-OD1 2.85Å; H187-D208 IonicContact ND1-OD1 3.14Å
188L97.9Very high96.5Very high27 Ų2761.2 Ų61.214%0.14130%0.301CS..  trans-83.795.6170.5-17766.5000108.5K190 L193 M215 I299 E305 W308 F309L188-K190 PolarHBondContact O-N 2.9Å; L188-L193 HydrophobicContact CD1-CD2 3.51Å; L188-L193 HydrophobicContact CG-CD2 4.47Å; L188-M215 HydrophobicContact CD1-CE 4.37Å; L188-M215 HydrophobicContact CD1-SD 4.08Å; L188-M215 HydrophobicContact CD2-CE 4.07Å; L188-M215 HydrophobicContact CD2-SD 4.49Å; L188-I299 HydrophobicContact CB-CD1 3.5Å; L188-I299 HydrophobicContact CD2-CD1 3.9Å; L188-I299 HydrophobicContact CG-CD1 4.38Å; L188-E305 HydrophobicContact CD2-CB 4.2Å; L188-E305 WeakPolarHBondContact CD2-OE2 3.46Å; L188-W308 HydrophobicContact CD1-CE3 4.46Å; L188-W308 HydrophobicContact CD1-CZ3 3.94Å; L188-W308 HydrophobicContact CD2-CE3 3.95Å; L188-W308 HydrophobicContact CD2-CZ3 4.02Å; L188-W308 HydrophobicContact CG-CE3 4.31Å; L188-W308 HydrophobicContact CG-CZ3 3.86Å; L188-F309 HydrophobicContact CD1-CB 4.19Å; L188-F309 HydrophobicContact CD1-CD2 3.67Å; L188-F309 HydrophobicContact CD1-CG 4.34Å
189I96.8Very high96.3Very high33 Ų3365.7 Ų65.717%0.16932%0.322CS..  trans-73.2120.6-177.5-60.2169.1000109.2H187 L193 L195 D208H187-I189 PolarHBondContact O-N 2.93Å; I189-L193 WeakPolarHBondContact O-CA 3.35Å; I189-L193 PolarHBondContact O-N 3.24Å; I189-L195 HydrophobicContact CD1-CB 4.43Å; I189-L195 HydrophobicContact CD1-CD2 3.52Å; I189-L195 HydrophobicContact CD1-CG 3.66Å; I189-D208 WeakPolarHBondContact CD1-OD2 3.36Å
190K97Very high96.2Very high105 Ų10567.1 Ų67.146%0.45733%0.327SS..THydrogen-bonded Turntrans-106.3142.9174.5-54.4-163.2174.7171.40110.8L188 E305 W308L188-K190 PolarHBondContact O-N 2.9Å; K190-E305 WeakPolarHBondContact CE-OE2 3.44Å; K190-E305 VanDerWaalsContact NZ-CD 3.26Å; K190-E305 IonicContact NZ-OE1 2.99Å; K190-E305 PolarHBondContact NZ-OE1 3.31Å; K190-E305 IonicContact NZ-OE2 2.71Å; K190-E305 PolarHBondContact NZ-OE2 3.31Å; K190-W308 HydrophobicContact CB-CH2 3.94Å; K190-W308 HydrophobicContact CB-CZ2 4.12Å; K190-W308 HydrophobicContact CD-CD2 4.34Å; K190-W308 HydrophobicContact CD-CE3 4.29Å; K190-W308 HydrophobicContact CD-CH2 4.02Å; K190-W308 HydrophobicContact CD-CZ2 4.01Å; K190-W308 HydrophobicContact CD-CZ3 4.11Å; K190-W308 HydrophobicContact CG-CE3 4.41Å; K190-W308 HydrophobicContact CG-CH2 3.49Å; K190-W308 VanDerWaalsContact CG-CH2 3.49Å; K190-W308 HydrophobicContact CG-CZ2 3.88Å; K190-W308 HydrophobicContact CG-CZ3 3.75Å
191P95.2Very high96.3Very high72 Ų7268.2 Ų68.247%0.46834%0.335SS..THydrogen-bonded Turncis-84.4-11.2-634.1-33.1000113.3L193 K312P191-L193 PolarHBondContact O-N 2.85Å; P191-K312 WeakPolarHBondContact O-CE 3.32Å; P191-K312 WeakPolarHBondContact O-CG 3.36Å
192D94.2Very high96.3Very high51 Ų5165.3 Ų65.327%0.27332%0.32SS..THydrogen-bonded Turntrans-84.3-10.9-158.4-59.4-42.4000115.7Q194D192-Q194 HydrophobicContact CB-CG 4.33Å; D192-Q194 WeakPolarHBondContact O-CG 3.34Å; D192-Q194 PolarHBondContact O-N 2.81Å
193L97.7Very high96.3Very high6 Ų670.4 Ų70.43%0.03134%0.344CS..SBendtrans61.12.7-173.5-62.4-179.5000115.8M149 F154 L188 I189 P191 W308 F309 K312 T313 L316M149-L193 VanDerWaalsContact CE-O 3.23Å; M149-L193 WeakPolarHBondContact CE-O 3.27Å; F154-L193 HydrophobicContact CE1-CB 4.38Å; F154-L193 HydrophobicContact CE1-CD1 4.26Å; F154-L193 HydrophobicContact CZ-CB 3.99Å; L188-L193 HydrophobicContact CD1-CD2 3.51Å; L188-L193 HydrophobicContact CG-CD2 4.47Å; I189-L193 WeakPolarHBondContact O-CA 3.35Å; I189-L193 PolarHBondContact O-N 3.24Å; P191-L193 PolarHBondContact O-N 2.85Å; L193-W308 HydrophobicContact CD2-CH2 3.76Å; L193-W308 HydrophobicContact CD2-CZ3 3.45Å; L193-W308 VanDerWaalsContact CD2-CZ3 3.45Å; L193-W308 HydrophobicContact CG-CH2 4.33Å; L193-W308 HydrophobicContact CG-CZ3 4.42Å; L193-F309 HydrophobicContact CD1-CD2 4.1Å; L193-F309 HydrophobicContact CD1-CE2 4.35Å; L193-F309 HydrophobicContact CD2-CD2 3.78Å; L193-F309 HydrophobicContact CD2-CE2 4.39Å; L193-K312 HydrophobicContact CD1-CB 4.04Å; L193-K312 HydrophobicContact CD1-CG 3.91Å; L193-K312 HydrophobicContact CG-CB 4.49Å; L193-K312 HydrophobicContact CG-CG 4.01Å; L193-T313 VanDerWaalsContact CD1-OG1 3.31Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.48Å; L193-L316 HydrophobicContact CB-CD1 4.34Å; L193-L316 HydrophobicContact CD1-CD1 4.13Å; L193-L316 HydrophobicContact CG-CD1 4.43Å
194Q98Very high96.3Very high30 Ų3075.5 Ų75.514%0.1437%0.366CS..SBendtrans-145.7155.8-174.965.7-166.6-31.900111.7E146 M149 F154 D192E146-Q194 HydrophobicContact CB-CB 4.18Å; M149-Q194 HydrophobicContact CB-CB 4.13Å; M149-Q194 HydrophobicContact CG-CB 4.06Å; F154-Q194 HydrophobicContact CE2-CB 4.49Å; D192-Q194 HydrophobicContact CB-CG 4.33Å; D192-Q194 WeakPolarHBondContact O-CG 3.34Å; D192-Q194 PolarHBondContact O-N 2.81Å
195L97.5Very high96.3Very high15 Ų1570.7 Ų70.78%0.07935%0.348CS..  trans-72.6146.1179.4-69.3166.2000111.7I189 E199 Y200 K204 A205I189-L195 HydrophobicContact CD1-CB 4.43Å; I189-L195 HydrophobicContact CD1-CD2 3.52Å; I189-L195 HydrophobicContact CD1-CG 3.66Å; L195-E199 HydrophobicContact CD2-CB 4.29Å; L195-Y200 HydrophobicContact CB-CD2 4.2Å; L195-Y200 HydrophobicContact CD1-CD2 4.2Å; L195-K204 HydrophobicContact CD1-CB 3.67Å; L195-A205 HydrophobicContact CD1-CB 3.9Å
196K96.8Very high96.3Very high112 Ų11266.2 Ų66.249%0.48733%0.327SS..  trans-81.7158.7166.1-65.1176.3-177.7174.10110.2N198 E199 Y200K196-N198 VanDerWaalsContact C-N 3.3Å; K196-N198 VanDerWaalsContact CB-OD1 3.31Å; K196-N198 WeakPolarHBondContact CB-OD1 3.38Å; K196-N198 PolarHBondContact O-N 2.8Å; K196-E199 PolarHBondContact O-N 2.88Å; K196-Y200 PolarHBondContact O-N 3.19Å; K196-Y200 VanDerWaalsContact O-N 3.13Å
197E97.1Very high96.3Very high139 Ų13966 Ų6665%0.6532%0.323SS*.G310 helixtrans-54.6-43.8-177.3-176.1168.3-175.200113Y138 E199 Y200Y138-E197 HydrophobicContact CD1-CB 3.6Å; Y138-E197 HydrophobicContact CD1-CG 3.52Å; Y138-E197 HydrophobicContact CD2-CB 4.26Å; Y138-E197 HydrophobicContact CE1-CB 3.66Å; Y138-E197 HydrophobicContact CE1-CG 4.06Å; Y138-E197 HydrophobicContact CE2-CB 4.32Å; Y138-E197 HydrophobicContact CG-CB 3.9Å; Y138-E197 HydrophobicContact CG-CG 3.85Å; E197-E199 PolarHBondContact O-N 3.23Å; E197-Y200 WeakPolarHBondContact O-CB 3.43Å; E197-Y200 PolarHBondContact O-N 3.46Å
198N96.2Very high96.3Very high140 Ų14060.4 Ų60.475%0.74930%0.297SS*.G310 helixtrans-70.9-15.2-179.765.5-31.8000114.5K196K196-N198 VanDerWaalsContact C-N 3.3Å; K196-N198 VanDerWaalsContact CB-OD1 3.31Å; K196-N198 WeakPolarHBondContact CB-OD1 3.38Å; K196-N198 PolarHBondContact O-N 2.8Å
199E94.3Very high96.3Very high100 Ų10059.1 Ų59.147%0.46729%0.291SS..G310 helixtrans-106.3-2.8179.5-64.3174.8138.800112.1L195 K196 E197L195-E199 HydrophobicContact CD2-CB 4.29Å; K196-E199 PolarHBondContact O-N 2.88Å; E197-E199 PolarHBondContact O-N 3.23Å
200Y96.7Very high96.4Very high32 Ų3258 Ų5813%0.12528%0.284CS..  trans-66.3135.4-167.9-169.3-101.3000112.8V135 Y138 E146 T148 L195 K196 E197 A205V135-Y200 VanDerWaalsContact CG2-OH 3.3Å; V135-Y200 WeakPolarHBondContact CG2-OH 3.21Å; V135-Y200 PolarHBondContact O-OH 2.73Å; Y138-Y200 AromaticContact CD2-CD2 3.6Å; Y138-Y200 HydrophobicContact CD2-CD2 3.6Å; Y138-Y200 HydrophobicContact CD2-CE2 4.22Å; Y138-Y200 AromaticContact CD2-CG 3.81Å; Y138-Y200 HydrophobicContact CD2-CG 3.81Å; Y138-Y200 HydrophobicContact CE2-CD2 4.45Å; Y138-Y200 HydrophobicContact CG-CD2 4.47Å; Y138-Y200 HydrophobicContact CG-CG 4.32Å; E146-Y200 HydrophobicContact CG-CD2 4.09Å; E146-Y200 HydrophobicContact CG-CE2 3.66Å; E146-Y200 WeakPolarHBondContact OE1-CE2 3.4Å; E146-Y200 PolarHBondContact OE1-OH 3.1Å; T148-Y200 PolarHBondContact OG1-OH 2.79Å; L195-Y200 HydrophobicContact CB-CD2 4.2Å; L195-Y200 HydrophobicContact CD1-CD2 4.2Å; K196-Y200 PolarHBondContact O-N 3.19Å; K196-Y200 VanDerWaalsContact O-N 3.13Å; E197-Y200 WeakPolarHBondContact O-CB 3.43Å; E197-Y200 PolarHBondContact O-N 3.46Å; Y200-A205 HydrophobicContact CD2-CB 4.3Å; Y200-A205 HydrophobicContact CE2-CB 3.44Å; Y200-A205 VanDerWaalsContact CE2-CB 3.44Å
201S95Very high96.4Very high41 Ų4153 Ų5329%0.28726%0.263SS..  trans-149.8145.7158.267.20000108.7L203 K204 A205S201-L203 PolarHBondContact O-N 3.1Å; S201-K204 PolarHBondContact O-N 2.84Å; S201-K204 WeakPolarHBondContact OG-CB 3.43Å; S201-K204 WeakPolarHBondContact OG-CD 3.45Å; S201-K204 WeakPolarHBondContact OG-CG 3.5Å; S201-K204 PolarHBondContact OG-N 2.87Å; S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.95Å
202Q94.4Very high96.6Very high55 Ų5549.9 Ų49.926%0.25724%0.243SC..Hα-helixtrans-50-45.5178.8-174.4178.734.200112.5A134 V135 Y206A134-Q202 HydrophobicContact CB-CG 3.83Å; A134-Q202 PolarHBondContact O-NE2 3.13Å; V135-Q202 WeakPolarHBondContact O-CB 3.37Å; V135-Q202 VanDerWaalsContact O-CG 3.32Å; V135-Q202 WeakPolarHBondContact O-CG 3.37Å; Q202-Y206 VanDerWaalsContact O-CB 3.24Å; Q202-Y206 WeakPolarHBondContact O-CB 3.31Å; Q202-Y206 PolarHBondContact O-N 2.94Å
203L93.1Very high96.8Very high126 Ų12647.5 Ų47.566%0.6623%0.23SC*.Hα-helixtrans-66.3-46.7-177.8-179.561.1000111.8S201 Y206 C207S201-L203 PolarHBondContact O-N 3.1Å; L203-Y206 PolarHBondContact O-N 3Å; L203-C207 WeakPolarHBondContact O-CB 3.16Å; L203-C207 PolarHBondContact O-N 3.05Å; L203-C207 PolarHBondContact O-SG 2.91Å
204K95.8Very high96.9Very high106 Ų10647.2 Ų47.246%0.46123%0.229SC..Hα-helixtrans-62-51.5178.2-69.2177-174.4178.20110.6L195 S201 Y206 C207 D208L195-K204 HydrophobicContact CD1-CB 3.67Å; S201-K204 PolarHBondContact O-N 2.84Å; S201-K204 WeakPolarHBondContact OG-CB 3.43Å; S201-K204 WeakPolarHBondContact OG-CD 3.45Å; S201-K204 WeakPolarHBondContact OG-CG 3.5Å; S201-K204 PolarHBondContact OG-N 2.87Å; K204-Y206 VanDerWaalsContact C-N 3.25Å; K204-Y206 PolarHBondContact O-N 3.23Å; K204-C207 PolarHBondContact O-N 2.88Å; K204-C207 VanDerWaalsContact O-N 3.09Å; K204-D208 WeakPolarHBondContact O-CB 3.37Å; K204-D208 PolarHBondContact O-N 2.92Å
205A97.4Very high96.9Very high1 Ų145.8 Ų45.81%0.00822%0.222CC..Hα-helixtrans-56-42.5179.700000111.8T148 L195 Y200 S201 S209T148-A205 HydrophobicContact CG2-CB 4.18Å; L195-A205 HydrophobicContact CD1-CB 3.9Å; Y200-A205 HydrophobicContact CD2-CB 4.3Å; Y200-A205 HydrophobicContact CE2-CB 3.44Å; Y200-A205 VanDerWaalsContact CE2-CB 3.44Å; S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.95Å; A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.91Å; A205-S209 PolarHBondContact O-OG 2.93Å
206Y96Very high97Very high64 Ų6445.1 Ų45.125%0.25122%0.218SC..Hα-helixtrans-64.7-50.6175.6-173.9-102.3000112.2A134 A182 Q202 L203 K204 D208 S209 K210A134-Y206 HydrophobicContact CB-CD2 3.71Å; A134-Y206 HydrophobicContact CB-CE2 4.46Å; A134-Y206 HydrophobicContact CB-CG 4.18Å; A182-Y206 HydrophobicContact CB-CD1 3.75Å; A182-Y206 HydrophobicContact CB-CE1 3.7Å; Q202-Y206 VanDerWaalsContact O-CB 3.24Å; Q202-Y206 WeakPolarHBondContact O-CB 3.31Å; Q202-Y206 PolarHBondContact O-N 2.94Å; L203-Y206 PolarHBondContact O-N 3Å; K204-Y206 VanDerWaalsContact C-N 3.25Å; K204-Y206 PolarHBondContact O-N 3.23Å; Y206-D208 VanDerWaalsContact C-N 3.34Å; Y206-D208 PolarHBondContact O-N 3.33Å; Y206-S209 PolarHBondContact O-N 3.47Å; Y206-S209 PolarHBondContact O-OG 2.98Å; Y206-K210 HydrophobicContact CD1-CG 4.22Å; Y206-K210 HydrophobicContact CD2-CG 4.46Å; Y206-K210 HydrophobicContact CE1-CG 3.85Å; Y206-K210 HydrophobicContact CE2-CD 4.37Å; Y206-K210 VanDerWaalsContact CE2-CE 3.45Å; Y206-K210 HydrophobicContact CE2-CG 4.15Å; Y206-K210 WeakPolarHBondContact O-CG 3.36Å; Y206-K210 PolarHBondContact O-N 3.37Å; Y206-K210 WeakPolarHBondContact OH-CE 3.25Å
207C96.5Very high97.1Very high8 Ų839.8 Ų39.85%0.05420%0.195CC..Hα-helixtrans-56-47.3177.6-71.50000112.1A182 K185 L203 K204 K210 L211A182-C207 WeakPolarHBondContact O-CB 3.09Å; K185-C207 HydrophobicContact CB-CB 4.45Å; L203-C207 WeakPolarHBondContact O-CB 3.16Å; L203-C207 PolarHBondContact O-N 3.05Å; L203-C207 PolarHBondContact O-SG 2.91Å; K204-C207 PolarHBondContact O-N 2.88Å; K204-C207 VanDerWaalsContact O-N 3.09Å; C207-K210 PolarHBondContact O-N 2.94Å; C207-L211 PolarHBondContact O-N 3.04Å
208D98.2Very high97.2Very high6 Ų633.5 Ų33.53%0.03217%0.167CC..Hα-helixtrans-63.4-43.8-179.9-58.7-17.8000110.4M149 G186 H187 I189 K204 Y206 K210 L211 A212M149-D208 HydrophobicContact CE-CB 3.77Å; G186-D208 WeakPolarHBondContact CA-OD1 3.44Å; H187-D208 PolarHBondContact N-OD1 2.85Å; H187-D208 IonicContact ND1-OD1 3.14Å; I189-D208 WeakPolarHBondContact CD1-OD2 3.36Å; K204-D208 WeakPolarHBondContact O-CB 3.37Å; K204-D208 PolarHBondContact O-N 2.92Å; Y206-D208 VanDerWaalsContact C-N 3.34Å; Y206-D208 PolarHBondContact O-N 3.33Å; D208-K210 VanDerWaalsContact C-N 3.33Å; D208-K210 PolarHBondContact O-N 2.96Å; D208-L211 WeakPolarHBondContact O-CB 3.45Å; D208-L211 PolarHBondContact O-N 3.42Å; D208-A212 PolarHBondContact O-N 3.04Å
209S98.5Very high97.3Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-65.4-33.9176.875.90000113.4N152 A205 Y206 A212 N213N152-S209 PolarHBondContact ND2-OG 3.36Å; A205-S209 WeakPolarHBondContact O-CB 3.46Å; A205-S209 PolarHBondContact O-N 2.91Å; A205-S209 PolarHBondContact O-OG 2.93Å; Y206-S209 PolarHBondContact O-N 3.47Å; Y206-S209 PolarHBondContact O-OG 2.98Å; S209-A212 PolarHBondContact O-N 3.25Å; S209-N213 PolarHBondContact O-N 3.17Å
210K98.1Very high97.5Very high8 Ų822.5 Ų22.54%0.03511%0.111CC..Hα-helixtrans-76.3-28.5176.8-65.3-49.1-173.2-176.40112.2L178 S179 A182 H183 Y206 C207 D208 A214L178-K210 PolarHBondContact O-NZ 3.49Å; S179-K210 PolarHBondContact OG-O 2.85Å; A182-K210 HydrophobicContact CB-CB 4.41Å; A182-K210 HydrophobicContact CB-CG 4.49Å; H183-K210 HydrophobicContact CB-CB 4.29Å; H183-K210 WeakPolarHBondContact CB-O 3.04Å; Y206-K210 HydrophobicContact CD1-CG 4.22Å; Y206-K210 HydrophobicContact CD2-CG 4.46Å; Y206-K210 HydrophobicContact CE1-CG 3.85Å; Y206-K210 HydrophobicContact CE2-CD 4.37Å; Y206-K210 VanDerWaalsContact CE2-CE 3.45Å; Y206-K210 HydrophobicContact CE2-CG 4.15Å; Y206-K210 WeakPolarHBondContact O-CG 3.36Å; Y206-K210 PolarHBondContact O-N 3.37Å; Y206-K210 WeakPolarHBondContact OH-CE 3.25Å; C207-K210 PolarHBondContact O-N 2.94Å; D208-K210 VanDerWaalsContact C-N 3.33Å; D208-K210 PolarHBondContact O-N 2.96Å; K210-A214 PolarHBondContact O-N 3.45Å
211L98.7Very high97.6Very high2 Ų221.2 Ų21.21%0.0111%0.108CC..Hα-helixtrans-63.4-49.8165.1173.462.6000111.3H183 C207 D208 N213 A214 M215 I299 V300H183-L211 HydrophobicContact CB-CB 4.37Å; C207-L211 PolarHBondContact O-N 3.04Å; D208-L211 WeakPolarHBondContact O-CB 3.45Å; D208-L211 PolarHBondContact O-N 3.42Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.84Å; L211-A214 PolarHBondContact O-N 3.38Å; L211-M215 HydrophobicContact CD1-CG 3.9Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 HydrophobicContact CD2-SD 4.4Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 HydrophobicContact CG-SD 4.01Å; L211-M215 WeakPolarHBondContact O-CG 3.46Å; L211-M215 PolarHBondContact O-N 3.01Å; L211-I299 HydrophobicContact CD1-CG2 3.61Å; L211-I299 HydrophobicContact CD2-CG2 4.04Å; L211-I299 HydrophobicContact CG-CG2 4.46Å; L211-V300 HydrophobicContact CD1-CG2 3.57Å
212A98.7Very high97.7Very high5 Ų522.9 Ų22.94%0.04111%0.114CC..Hα-helixtrans-55-41.7177.900000112M149 H153 D208 S209 A214 M215 H216 F309M149-A212 HydrophobicContact SD-CB 4.02Å; H153-A212 HydrophobicContact CB-CB 3.93Å; H153-A212 VanDerWaalsContact CG-CB 3.45Å; D208-A212 PolarHBondContact O-N 3.04Å; S209-A212 PolarHBondContact O-N 3.25Å; A212-A214 PolarHBondContact O-N 2.76Å; A212-M215 PolarHBondContact O-N 3.43Å; A212-H216 VanDerWaalsContact O-CB 3.24Å; A212-H216 WeakPolarHBondContact O-CB 3.39Å; A212-H216 PolarHBondContact O-N 2.93Å; A212-F309 HydrophobicContact CB-CE2 3.73Å; A212-F309 HydrophobicContact CB-CZ 3.79Å; A212-F309 WeakPolarHBondContact O-CZ 3.32Å
213N98.8Very high97.9Very high2 Ų223.2 Ų23.21%0.01111%0.113CC..Hα-helixtrans-64-36.9175.9-74.2-0.5000114.1N152 L178 S209 L211 A217N152-N213 PolarHBondContact O-ND2 3.23Å; N152-N213 PolarHBondContact O-OD1 3.39Å; L178-N213 PolarHBondContact O-ND2 3.19Å; L178-N213 VanDerWaalsContact O-ND2 3.1Å; S209-N213 PolarHBondContact O-N 3.17Å; L211-N213 VanDerWaalsContact C-N 3.26Å; L211-N213 PolarHBondContact O-N 2.84Å; N213-A217 PolarHBondContact O-N 3.33Å; N213-A217 VanDerWaalsContact O-N 3.15Å
214A98.8Very high98.1Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-71.4-43.1175.900000111.4K210 L211 A212 A217 A218 V300K210-A214 PolarHBondContact O-N 3.45Å; L211-A214 PolarHBondContact O-N 3.38Å; A212-A214 PolarHBondContact O-N 2.76Å; A214-A217 PolarHBondContact O-N 3.23Å; A214-A218 WeakPolarHBondContact O-CB 3.48Å; A214-A218 PolarHBondContact O-N 2.96Å; A214-V300 HydrophobicContact CB-CG1 4.42Å; A214-V300 HydrophobicContact CB-CG2 3.9Å
215M98.8Very high98.1Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-62.5-43.2175.4-69.2-172.270.400111.8L188 L211 A212 A218 E219 I299 V300 E305 R306 F309L188-M215 HydrophobicContact CD1-CE 4.37Å; L188-M215 HydrophobicContact CD1-SD 4.08Å; L188-M215 HydrophobicContact CD2-CE 4.07Å; L188-M215 HydrophobicContact CD2-SD 4.49Å; L211-M215 HydrophobicContact CD1-CG 3.9Å; L211-M215 HydrophobicContact CD1-SD 4.04Å; L211-M215 HydrophobicContact CD2-SD 4.4Å; L211-M215 HydrophobicContact CG-CG 4.27Å; L211-M215 HydrophobicContact CG-SD 4.01Å; L211-M215 WeakPolarHBondContact O-CG 3.46Å; L211-M215 PolarHBondContact O-N 3.01Å; A212-M215 PolarHBondContact O-N 3.43Å; M215-A218 PolarHBondContact O-N 3.38Å; M215-E219 WeakPolarHBondContact O-CB 3.45Å; M215-E219 PolarHBondContact O-N 3.11Å; M215-I299 HydrophobicContact CE-CG1 4.45Å; M215-I299 HydrophobicContact SD-CG1 4.47Å; M215-V300 HydrophobicContact CG-CB 4.48Å; M215-V300 HydrophobicContact CG-CG2 3.86Å; M215-E305 HydrophobicContact CE-CB 4.21Å; M215-R306 HydrophobicContact CE-CG 4.04Å; M215-F309 HydrophobicContact CB-CD1 3.95Å; M215-F309 HydrophobicContact CB-CE1 3.85Å; M215-F309 HydrophobicContact CB-CG 4.41Å; M215-F309 HydrophobicContact CB-CZ 4.2Å; M215-F309 HydrophobicContact CE-CB 3.83Å; M215-F309 HydrophobicContact CE-CG 4.11Å
216H98.7Very high98Very high0 Ų026.5 Ų26.50%013%0.128CC..Hα-helixtrans-59-49175.9178-151.8000111.5F157 N177 A212 A218 E219 L220 F309 W310F157-H216 AromaticContact CD2-CD2 3.45Å; F157-H216 VanDerWaalsContact CD2-CD2 3.45Å; F157-H216 WeakPolarHBondContact CD2-CD2 3.39Å; F157-H216 AromaticContact CD2-CE1 3.7Å; F157-H216 AromaticContact CD2-CG 3.74Å; F157-H216 AromaticContact CD2-ND1 3.87Å; F157-H216 AromaticContact CD2-NE2 3.46Å; F157-H216 WeakPolarHBondContact CD2-NE2 3.12Å; F157-H216 AromaticContact CE2-CD2 3.53Å; F157-H216 AromaticContact CE2-NE2 3.72Å; N177-H216 PolarHBondContact ND2-ND1 2.89Å; N177-H216 VanDerWaalsContact ND2-ND1 3.17Å; A212-H216 VanDerWaalsContact O-CB 3.24Å; A212-H216 WeakPolarHBondContact O-CB 3.39Å; A212-H216 PolarHBondContact O-N 2.93Å; H216-A218 VanDerWaalsContact C-N 3.34Å; H216-A218 PolarHBondContact O-N 3.47Å; H216-E219 PolarHBondContact O-N 2.93Å; H216-L220 WeakPolarHBondContact O-CB 3.24Å; H216-L220 PolarHBondContact O-N 3.33Å; H216-F309 HydrophobicContact CB-CE1 4.08Å; H216-F309 HydrophobicContact CB-CZ 4.46Å; H216-W310 AromaticContact CD2-CZ3 3.8Å
217A98.8Very high98Very high0 Ų025.1 Ų25.10%013%0.128CC..Hα-helixtrans-62.1-41.7178.900000112.5N177 N213 A214 G221 V231 G285N177-A217 HydrophobicContact CB-CB 4.36Å; N213-A217 PolarHBondContact O-N 3.33Å; N213-A217 VanDerWaalsContact O-N 3.15Å; A214-A217 PolarHBondContact O-N 3.23Å; A217-G221 PolarHBondContact O-N 2.8Å; A217-V231 HydrophobicContact CB-CG1 4.05Å; A217-G285 WeakPolarHBondContact O-CA 3.45Å
218A98.8Very high98.1Very high8 Ų826.7 Ų26.77%0.06615%0.146CC..Hα-helixtrans-64.1-47.5178.600000112.3A214 M215 H216 G221 D222 V300A214-A218 WeakPolarHBondContact O-CB 3.48Å; A214-A218 PolarHBondContact O-N 2.96Å; M215-A218 PolarHBondContact O-N 3.38Å; H216-A218 VanDerWaalsContact C-N 3.34Å; H216-A218 PolarHBondContact O-N 3.47Å; A218-G221 PolarHBondContact O-N 3.03Å; A218-D222 PolarHBondContact O-N 3.39Å; A218-V300 HydrophobicContact CB-CG1 3.81Å
219E98.7Very high98.1Very high9 Ų926.7 Ų26.74%0.04215%0.146CC..Hα-helixtrans-68.9-44.9179.1-177.963.8-172.600112.1M215 H216 G221 D222 R223 R306 W310M215-E219 WeakPolarHBondContact O-CB 3.45Å; M215-E219 PolarHBondContact O-N 3.11Å; H216-E219 PolarHBondContact O-N 2.93Å; E219-G221 PolarHBondContact O-N 3.1Å; E219-D222 WeakPolarHBondContact O-CB 3.41Å; E219-D222 PolarHBondContact O-N 3.04Å; E219-D222 VanDerWaalsContact O-N 3.13Å; E219-R223 WeakPolarHBondContact O-CG 3.18Å; E219-R223 PolarHBondContact O-N 3.17Å; E219-R223 IonicContact OE1-CZ 3.11Å; E219-R223 IonicContact OE1-NE 2.98Å; E219-R223 PolarHBondContact OE1-NE 3.4Å; E219-R223 IonicContact OE1-NH2 3.39Å; E219-R223 PolarHBondContact OE1-NH2 3.05Å; E219-R223 VanDerWaalsContact OE1-NH2 3.14Å; E219-R306 HydrophobicContact CB-CB 4.11Å; E219-R306 HydrophobicContact CG-CB 4.44Å; E219-R306 VanDerWaalsContact OE2-CB 3.27Å; E219-R306 WeakPolarHBondContact OE2-CB 3.46Å; E219-R306 IonicContact OE2-NE 3.62Å; E219-R306 PolarHBondContact OE2-NE 3.32Å; E219-W310 HydrophobicContact CB-CE3 4.17Å; E219-W310 HydrophobicContact CG-CB 3.99Å; E219-W310 HydrophobicContact CG-CD2 4.03Å; E219-W310 HydrophobicContact CG-CE3 3.6Å; E219-W310 HydrophobicContact CG-CG 4.2Å; E219-W310 HydrophobicContact CG-CZ3 4.47Å
220L98.5Very high98.1Very high0 Ų028.4 Ų28.40%016%0.156CC..Hα-helixtrans-64.1-34.1178.3-173.265.9000111.2T160 L164 I175 H216 R223 L224 V231 W310 T323T160-L220 HydrophobicContact CG2-CD2 3.63Å; L164-L220 HydrophobicContact CD1-CD1 4.17Å; I175-L220 HydrophobicContact CD1-CD2 3.84Å; H216-L220 WeakPolarHBondContact O-CB 3.24Å; H216-L220 PolarHBondContact O-N 3.33Å; L220-R223 PolarHBondContact O-N 2.95Å; L220-L224 HydrophobicContact CD1-CD1 3.75Å; L220-L224 HydrophobicContact CD1-CG 3.84Å; L220-L224 HydrophobicContact CD2-CD1 4.17Å; L220-L224 HydrophobicContact CG-CD1 3.69Å; L220-L224 HydrophobicContact CG-CG 4.09Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.47Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.77Å; L220-V231 HydrophobicContact CB-CG1 4.26Å; L220-V231 HydrophobicContact CD2-CG1 4.07Å; L220-V231 HydrophobicContact CD2-CG2 4.02Å; L220-V231 HydrophobicContact CG-CG1 4.4Å; L220-V231 HydrophobicContact CG-CG2 3.99Å; L220-W310 HydrophobicContact CB-CZ3 4.08Å; L220-W310 HydrophobicContact CD1-CH2 3.68Å; L220-W310 HydrophobicContact CD1-CZ3 3.94Å; L220-T323 HydrophobicContact CD1-CG2 4.38Å
221G98.4Very high98.1Very high5 Ų528 Ų285%0.05215%0.154CC..Hα-helixtrans-60.4-41.6172.600000113.2A217 A218 E219 K225 S284A217-G221 PolarHBondContact O-N 2.8Å; A218-G221 PolarHBondContact O-N 3.03Å; E219-G221 PolarHBondContact O-N 3.1Å; G221-K225 PolarHBondContact O-N 3.32Å; G221-S284 WeakPolarHBondContact CA-OG 3.44Å
222D98.2Very high98.1Very high76 Ų7628 Ų2841%0.40615%0.154SC..Hα-helixtrans-67.2-41.9174.4-77.3-22.8000111.5A218 E219 K225 R306A218-D222 PolarHBondContact O-N 3.39Å; E219-D222 WeakPolarHBondContact O-CB 3.41Å; E219-D222 PolarHBondContact O-N 3.04Å; E219-D222 VanDerWaalsContact O-N 3.13Å; D222-K225 WeakPolarHBondContact O-CB 3.48Å; D222-K225 PolarHBondContact O-N 3.02Å; D222-R306 IonicContact OD2-CZ 2.8Å; D222-R306 IonicContact OD2-NE 2.9Å; D222-R306 IonicContact OD2-NH2 3.77Å; D222-R306 PolarHBondContact OD2-NH2 3.32Å
223R97.9Very high98.1Very high62 Ų6227.8 Ų27.823%0.23415%0.153CC..Hα-helixtrans-68.8-37.4-179.5-71.4175.5176.9-100.6-0.6113.5E219 L220 K225 W310 N321 T323E219-R223 WeakPolarHBondContact O-CG 3.18Å; E219-R223 PolarHBondContact O-N 3.17Å; E219-R223 IonicContact OE1-CZ 3.11Å; E219-R223 IonicContact OE1-NE 2.98Å; E219-R223 PolarHBondContact OE1-NE 3.4Å; E219-R223 IonicContact OE1-NH2 3.39Å; E219-R223 PolarHBondContact OE1-NH2 3.05Å; E219-R223 VanDerWaalsContact OE1-NH2 3.14Å; L220-R223 PolarHBondContact O-N 2.95Å; R223-K225 VanDerWaalsContact C-N 3.25Å; R223-K225 PolarHBondContact O-N 3.32Å; R223-W310 VanDerWaalsContact CZ-NE1 3.27Å; R223-N321 PolarHBondContact NH1-OD1 3.3Å; R223-T323 PolarHBondContact NH1-O 2.68Å
224L97.7Very high98.1Very high3 Ų327.7 Ų27.72%0.01615%0.152CC..THydrogen-bonded Turntrans-89.616.1179.4-64.9-177000113L164 I175 L220 D226 S227 I229 V231 T323L164-L224 HydrophobicContact CD2-CD1 3.73Å; I175-L224 HydrophobicContact CD1-CD1 4.31Å; L220-L224 HydrophobicContact CD1-CD1 3.75Å; L220-L224 HydrophobicContact CD1-CG 3.84Å; L220-L224 HydrophobicContact CD2-CD1 4.17Å; L220-L224 HydrophobicContact CG-CD1 3.69Å; L220-L224 HydrophobicContact CG-CG 4.09Å; L220-L224 VanDerWaalsContact O-CB 3.29Å; L220-L224 WeakPolarHBondContact O-CB 3.47Å; L220-L224 WeakPolarHBondContact O-CG 3.3Å; L220-L224 PolarHBondContact O-N 2.77Å; L224-D226 PolarHBondContact O-N 3.16Å; L224-S227 WeakPolarHBondContact CB-OG 3.48Å; L224-S227 VanDerWaalsContact O-CB 3.27Å; L224-S227 WeakPolarHBondContact O-CB 3.47Å; L224-S227 PolarHBondContact O-N 2.98Å; L224-S227 VanDerWaalsContact O-N 3.13Å; L224-S227 PolarHBondContact O-OG 3.3Å; L224-I229 HydrophobicContact CB-CB 4.48Å; L224-I229 HydrophobicContact CD1-CB 4.05Å; L224-I229 HydrophobicContact CD1-CD1 4.09Å; L224-I229 HydrophobicContact CD1-CG2 3.92Å; L224-V231 HydrophobicContact CD1-CG2 3.87Å; L224-T323 HydrophobicContact CD2-CG2 4.28Å
225K96Very high98Very high149 Ų14928 Ų2865%0.64815%0.154SC*.THydrogen-bonded Turntrans-53.6138.3173.5-168.2-173.2169.9-172.80110G221 D222 R223 S227G221-K225 PolarHBondContact O-N 3.32Å; D222-K225 WeakPolarHBondContact O-CB 3.48Å; D222-K225 PolarHBondContact O-N 3.02Å; R223-K225 VanDerWaalsContact C-N 3.25Å; R223-K225 PolarHBondContact O-N 3.32Å; K225-S227 PolarHBondContact O-N 3.48Å
226D95.2Very high97.7Very high149 Ų14928.8 Ų28.880%0.79716%0.159SC*.THydrogen-bonded Turntrans634.1179.5-48.7-41.9000115.3L224 G228L224-D226 PolarHBondContact O-N 3.16Å; D226-G228 VanDerWaalsContact C-N 3.31Å; D226-G228 PolarHBondContact O-N 3.23Å
227S96.8Very high96.8Very high35 Ų3529.5 Ų29.525%0.24517%0.166CC..THydrogen-bonded Turntrans-79.8-8.9176.872.50000114.3T171 L224 K225 I229T171-S227 WeakPolarHBondContact CG2-O 3.19Å; L224-S227 WeakPolarHBondContact CB-OG 3.48Å; L224-S227 VanDerWaalsContact O-CB 3.27Å; L224-S227 WeakPolarHBondContact O-CB 3.47Å; L224-S227 PolarHBondContact O-N 2.98Å; L224-S227 VanDerWaalsContact O-N 3.13Å; L224-S227 PolarHBondContact O-OG 3.3Å; K225-S227 PolarHBondContact O-N 3.48Å; S227-I229 PolarHBondContact O-N 3.5Å; S227-I229 WeakPolarHBondContact OG-CB 3.44Å; S227-I229 WeakPolarHBondContact OG-CG1 3.44Å; S227-I229 PolarHBondContact OG-N 3.02Å
228G97.3Very high95.4Very high41 Ų4131.8 Ų31.842%0.42319%0.185SC..THydrogen-bonded Turntrans78.13.1-170.100000114.6S173 D226S173-G228 PolarHBondContact N-O 3.25Å; D226-G228 VanDerWaalsContact C-N 3.31Å; D226-G228 PolarHBondContact O-N 3.23Å
229I98.5Very high93.4Very high6 Ų632.3 Ų32.33%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-97.1125.9175.4-50.9-176.2000110L164 M167 K168 T171 S173 I175 L224 S227 V231L164-I229 HydrophobicContact CD2-CD1 4.44Å; M167-I229 HydrophobicContact CB-CD1 4.02Å; K168-I229 HydrophobicContact CB-CD1 4.36Å; K168-I229 HydrophobicContact CG-CD1 3.6Å; T171-I229 HydrophobicContact CG2-CG1 4.03Å; S173-I229 WeakPolarHBondContact O-CA 3.45Å; S173-I229 WeakPolarHBondContact OG-CG1 3.4Å; I175-I229 HydrophobicContact CD1-CG2 4.07Å; I175-I229 HydrophobicContact CG1-CG2 4.22Å; L224-I229 HydrophobicContact CB-CB 4.48Å; L224-I229 HydrophobicContact CD1-CB 4.05Å; L224-I229 HydrophobicContact CD1-CD1 4.09Å; L224-I229 HydrophobicContact CD1-CG2 3.92Å; S227-I229 PolarHBondContact O-N 3.5Å; S227-I229 WeakPolarHBondContact OG-CB 3.44Å; S227-I229 WeakPolarHBondContact OG-CG1 3.44Å; S227-I229 PolarHBondContact OG-N 3.02Å; I229-V231 HydrophobicContact CG2-CG2 4.24Å
230T98.7Very high91.2Very high36 Ų3637.5 Ų37.522%0.22121%0.21CC..EExtended strand (participates in β ladder)trans-98.6125.1172.4-55.40000110.6S173 R174 I175 V232 L282S173-T230 PolarHBondContact O-N 3.32Å; R174-T230 CarbonylContact C-O 3.59Å; R174-T230 WeakPolarHBondContact CA-O 3.3Å; I175-T230 PolarHBondContact N-O 2.82Å; T230-V232 HydrophobicContact CG2-CG1 4.3Å; T230-L282 HydrophobicContact CG2-CB 3.82Å; T230-L282 HydrophobicContact CG2-CD1 4.34Å
231V98.8Very high88.8Confident0 Ų040.4 Ų40.40%023%0.227CC..EExtended strand (participates in β ladder)trans-113.7133.6178.4-172.20000109.7I175 A217 L220 L224 I229 S284 G285I175-V231 HydrophobicContact CB-CG1 4.18Å; I175-V231 HydrophobicContact CB-CG2 4.21Å; I175-V231 HydrophobicContact CD1-CG2 4.21Å; I175-V231 HydrophobicContact CG2-CG1 4.37Å; I175-V231 WeakPolarHBondContact O-CA 3.33Å; A217-V231 HydrophobicContact CB-CG1 4.05Å; L220-V231 HydrophobicContact CB-CG1 4.26Å; L220-V231 HydrophobicContact CD2-CG1 4.07Å; L220-V231 HydrophobicContact CD2-CG2 4.02Å; L220-V231 HydrophobicContact CG-CG1 4.4Å; L220-V231 HydrophobicContact CG-CG2 3.99Å; L224-V231 HydrophobicContact CD1-CG2 3.87Å; I229-V231 HydrophobicContact CG2-CG2 4.24Å; V231-S284 PolarHBondContact N-OG 2.73Å; V231-S284 CarbonylContact O-C 3.58Å; V231-S284 WeakPolarHBondContact O-CA 3.36Å; V231-G285 PolarHBondContact O-N 3.39Å
232V98.9Very high86.4Confident2 Ų245.3 Ų45.31%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-141.8157.3176.3-63.60000111.4I175 I176 N177 T230 V234 T276 G286 Y288I175-V232 PolarHBondContact O-N 3.29Å; I176-V232 HydrophobicContact CB-CG2 4.41Å; I176-V232 HydrophobicContact CG1-CG2 3.93Å; I176-V232 HydrophobicContact CG2-CG2 4.27Å; N177-V232 PolarHBondContact N-O 3.16Å; T230-V232 HydrophobicContact CG2-CG1 4.3Å; V232-V234 HydrophobicContact CG2-CG2 4.49Å; V232-T276 HydrophobicContact CG2-CG2 3.89Å; V232-G286 WeakPolarHBondContact CA-O 3.44Å; V232-Y288 HydrophobicContact CB-CD2 3.95Å; V232-Y288 HydrophobicContact CB-CE2 4.18Å; V232-Y288 HydrophobicContact CG1-CD2 3.9Å; V232-Y288 HydrophobicContact CG1-CE2 3.59Å
233S98.8Very high84.1Confident1 Ų146.4 Ų46.41%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-108.1145.316655.60000110.9N177 G286 Y287 Y288N177-S233 CarbonylContact O-C 3.46Å; N177-S233 VanDerWaalsContact O-CA 3.25Å; N177-S233 WeakPolarHBondContact O-CA 3.46Å; S233-G286 PolarHBondContact N-O 3.09Å; S233-Y287 CarbonylContact O-C 3.54Å; S233-Y287 WeakPolarHBondContact O-CA 3.44Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.41Å; S233-Y288 PolarHBondContact O-N 2.97Å
234V98.6Very high81.7Confident0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-126.9131.5-174.3168.80000111I176 N177 L178 S179 V232 T272 T276 Y288I176-V234 HydrophobicContact CG2-CB 4.3Å; I176-V234 HydrophobicContact CG2-CG2 3.65Å; N177-V234 PolarHBondContact O-N 2.58Å; L178-V234 HydrophobicContact CD1-CB 4.21Å; L178-V234 HydrophobicContact CD1-CG1 4Å; S179-V234 CarbonylContact C-O 3.45Å; S179-V234 WeakPolarHBondContact CA-O 3.39Å; S179-V234 PolarHBondContact N-O 2.99Å; V232-V234 HydrophobicContact CG2-CG2 4.49Å; V234-T272 HydrophobicContact CG1-CG2 3.64Å; V234-T272 HydrophobicContact CG2-CG2 4.36Å; V234-T276 HydrophobicContact CG2-CG2 3.66Å; V234-Y288 CarbonylContact C-O 3.58Å; V234-Y288 WeakPolarHBondContact CA-O 3.5Å
235H96.3Very high79.5Confident7 Ų755.6 Ų55.63%0.03230%0.296CS..EExtended strand (participates in β ladder)trans-94.9118.6157.5171.348.3000110.3S180 M181 G237 Y287 Y288 S289S180-H235 WeakPolarHBondContact CA-ND1 3.44Å; M181-H235 VanDerWaalsContact CG-CD2 3.45Å; M181-H235 WeakPolarHBondContact CG-CD2 3.25Å; M181-H235 WeakPolarHBondContact CG-NE2 3.42Å; M181-H235 PolarHBondContact N-ND1 3.26Å; M181-H235 PolarHBondContact SD-NE2 3.32Å; M181-H235 VanDerWaalsContact SD-NE2 3.36Å; H235-G237 WeakPolarHBondContact CE1-CA 3.25Å; H235-G237 PolarHBondContact CE1-N 3.45Å; H235-G237 VanDerWaalsContact CE1-N 3.26Å; H235-G237 PolarHBondContact CE1-O 2.95Å; H235-G237 VanDerWaalsContact CE1-O 3.24Å; H235-G237 PolarHBondContact ND1-N 3.12Å; H235-G237 WeakPolarHBondContact NE2-CA 3.42Å; H235-G237 PolarHBondContact NE2-N 3.2Å; H235-G237 PolarHBondContact O-N 3.16Å; H235-Y287 HydrophobicContact CB-CE2 4Å; H235-Y287 WeakPolarHBondContact CB-OH 3.46Å; H235-Y288 PolarHBondContact N-O 3.13Å; H235-S289 PolarHBondContact CD2-OG 3.44Å; H235-S289 VanDerWaalsContact CD2-OG 3.24Å
236P91.8Very high77.4Confident16 Ų1652.8 Ų52.810%0.10429%0.288CS..  trans-73.5-7.1-178.328.9-35.8000114.3I32 L178 V239 G269I32-P236 HydrophobicContact CD1-CB 3.69Å; I32-P236 HydrophobicContact CD1-CG 3.83Å; L178-P236 HydrophobicContact CD1-CB 4.37Å; L178-P236 HydrophobicContact CD1-CG 4.29Å; P236-V239 HydrophobicContact CB-CG2 4.37Å; P236-G269 WeakPolarHBondContact CA-O 3.45Å; P236-G269 WeakPolarHBondContact CB-O 3.36Å; P236-G269 WeakPolarHBondContact O-CA 3.46Å
237G80.9Confident75.4Confident14 Ų1447.1 Ų47.114%0.14426%0.258CS..  trans95.7171.2-165.600000112.2H235 V239H235-G237 WeakPolarHBondContact CE1-CA 3.25Å; H235-G237 PolarHBondContact CE1-N 3.45Å; H235-G237 VanDerWaalsContact CE1-N 3.26Å; H235-G237 PolarHBondContact CE1-O 2.95Å; H235-G237 VanDerWaalsContact CE1-O 3.24Å; H235-G237 PolarHBondContact ND1-N 3.12Å; H235-G237 WeakPolarHBondContact NE2-CA 3.42Å; H235-G237 PolarHBondContact NE2-N 3.2Å; H235-G237 PolarHBondContact O-N 3.16Å; G237-V239 PolarHBondContact O-N 2.72Å
238A67.8Low73.6Confident48 Ų4852.6 Ų52.640%0.39728%0.284SS..SBendtrans-7487.8174.700000109.4F263 L264A238-F263 HydrophobicContact CB-CD1 4.06Å; A238-F263 HydrophobicContact CB-CE1 4.49Å; A238-F263 CarbonylContact O-C 3.57Å; A238-F263 WeakPolarHBondContact O-CA 3.35Å; A238-F263 WeakPolarHBondContact O-CB 3.48Å; A238-L264 PolarHBondContact O-N 2.98Å
239V57.4Low72Confident20 Ų2053.4 Ų53.412%0.12128%0.283CS..BIsolated β-bridgetrans-83.3149.3179.9179.10000110.4I32 P236 G237 T241 F263 L264I32-V239 HydrophobicContact CD1-CB 4.22Å; I32-V239 HydrophobicContact CD1-CG1 4.24Å; I32-V239 HydrophobicContact CD1-CG2 3.77Å; I32-V239 HydrophobicContact CG1-CG1 4.22Å; I32-V239 HydrophobicContact CG1-CG2 4.28Å; P236-V239 HydrophobicContact CB-CG2 4.37Å; G237-V239 PolarHBondContact O-N 2.72Å; V239-T241 PolarHBondContact O-N 3.02Å; V239-F263 VanDerWaalsContact O-CD1 3.22Å; V239-F263 WeakPolarHBondContact O-CD1 3.44Å; V239-L264 CarbonylContact C-O 3.53Å; V239-L264 VanDerWaalsContact CA-O 3.32Å; V239-L264 WeakPolarHBondContact CA-O 3.23Å; V239-L264 WeakPolarHBondContact CG1-O 3.34Å; V239-L264 HydrophobicContact CG2-CB 4.12Å
240K53.5Low70.7Confident118 Ų11858.3 Ų58.351%0.51331%0.313SS..  trans-56.3110.9176.7-77.1177.7-176.1-179.10107.2K260 F263 L264K240-K260 WeakPolarHBondContact CE-O 3.38Å; K240-F263 HydrophobicContact CB-CB 4.09Å; K240-F263 WeakPolarHBondContact CE-O 3.32Å; K240-F263 HydrophobicContact CG-CB 3.45Å; K240-F263 VanDerWaalsContact CG-CB 3.45Å; K240-F263 HydrophobicContact CG-CG 4.48Å; K240-L264 PolarHBondContact N-O 3.36Å
241T48.2Very low69.4Low60 Ų6062 Ų6237%0.36834%0.336SS..  trans-103148173.841.70000107.8V239 L243V239-T241 PolarHBondContact O-N 3.02Å; T241-L243 PolarHBondContact O-N 3.44Å; T241-L243 WeakPolarHBondContact OG1-CD1 3.31Å
242D47.2Very low67.6Low109 Ų10966.2 Ų66.258%0.58336%0.356SS*.  trans-75.638.3169.8-66-32.5000111.2D244 R245D242-D244 VanDerWaalsContact CA-OD1 3.31Å; D242-D244 WeakPolarHBondContact CA-OD1 3.37Å; D242-D244 PolarHBondContact O-N 3.19Å; D242-R245 HydrophobicContact CB-CG 4.41Å; D242-R245 PolarHBondContact O-N 3.42Å
243L49.4Very low66Low98 Ų9871.3 Ų71.351%0.51338%0.378SS..THydrogen-bonded Turntrans-58.1-11.8173.8-105.1155.3000111.7T241 I247T241-L243 PolarHBondContact O-N 3.44Å; T241-L243 WeakPolarHBondContact OG1-CD1 3.31Å; L243-I247 WeakPolarHBondContact O-CD1 3.46Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å
244D48.4Very low64.5Low53 Ų5375.1 Ų75.128%0.28340%0.404SS..THydrogen-bonded Turntrans-81.1-14.917562.1-46.7000115.3D242 D246 I247 V256 K260D242-D244 VanDerWaalsContact CA-OD1 3.31Å; D242-D244 WeakPolarHBondContact CA-OD1 3.37Å; D242-D244 PolarHBondContact O-N 3.19Å; D244-D246 PolarHBondContact O-N 2.85Å; D244-D246 VanDerWaalsContact O-N 3.11Å; D244-I247 PolarHBondContact O-N 2.92Å; D244-I247 VanDerWaalsContact O-N 3.16Å; D244-V256 HydrophobicContact CB-CG1 4.03Å; D244-K260 WeakPolarHBondContact OD1-CE 3.46Å; D244-K260 IonicContact OD1-NZ 3.58Å; D244-K260 PolarHBondContact OD1-NZ 3.33Å; D244-K260 IonicContact OD2-NZ 3.57Å; D244-K260 PolarHBondContact OD2-NZ 2.87Å
245R49.8Very low62.9Low206 Ų20680.7 Ų80.778%0.77743%0.428SS*.THydrogen-bonded Turntrans-56-32.9-174.5-97.8-176.6159.8171.4-3.4113.7D242D242-R245 HydrophobicContact CB-CG 4.41Å; D242-R245 PolarHBondContact O-N 3.42Å
246D52.5Low61Low90 Ų9081.4 Ų81.448%0.48143%0.433SS..THydrogen-bonded Turntrans-108.85.9-175.8-62-27.4000113.5S136 D244 N248S136-D246 WeakPolarHBondContact CB-OD2 3.46Å; S136-D246 PolarHBondContact OG-OD2 2.94Å; D244-D246 PolarHBondContact O-N 2.85Å; D244-D246 VanDerWaalsContact O-N 3.11Å; D246-N248 PolarHBondContact O-N 3.25Å
247I53.5Low59.4Low30 Ų3088.5 Ų88.515%0.15446%0.462CS..  trans-82106.3-179.9-62.2-178.9000109.5L243 D244 M252 K253 V256L243-I247 WeakPolarHBondContact O-CD1 3.46Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; D244-I247 PolarHBondContact O-N 2.92Å; D244-I247 VanDerWaalsContact O-N 3.16Å; I247-M252 HydrophobicContact CG2-CB 3.34Å; I247-K253 HydrophobicContact CB-CG 4.48Å; I247-K253 HydrophobicContact CG2-CG 4.04Å; I247-K253 WeakPolarHBondContact O-CE 3.46Å; I247-V256 HydrophobicContact CD1-CB 4.33Å; I247-V256 HydrophobicContact CD1-CG2 3.45Å; I247-V256 VanDerWaalsContact CD1-CG2 3.45Å
248N59.5Low58.6Low150 Ų15094.2 Ų94.280%0.80249%0.489SS*.  trans-83.6-21.1176-73.6-30.7000114.2D246 V250D246-N248 PolarHBondContact O-N 3.25Å; N248-V250 PolarHBondContact O-N 2.81Å
249S62.5Low57.9Low57 Ų5793.7 Ų93.740%0.39948%0.481SS..  trans-74.1125.2-178.8164.80000111.8V251 M252 K253S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 3.4Å; S249-V251 PolarHBondContact OG-N 2.91Å; S249-M252 PolarHBondContact O-N 3.3Å; S249-M252 PolarHBondContact OG-N 3.39Å; S249-K253 WeakPolarHBondContact O-CG 3.3Å; S249-K253 PolarHBondContact O-N 3.09Å
250V72.9Confident57.6Low110 Ų11095 Ų9567%0.66749%0.485SS*.Hα-helixtrans-59.1-40.9175.7178.10000111.2N248 K253 C254N248-V250 PolarHBondContact O-N 2.81Å; V250-K253 PolarHBondContact O-N 3.28Å; V250-C254 PolarHBondContact O-N 2.97Å; V250-C254 PolarHBondContact O-SG 3.43Å
251V71.1Confident57.7Low114 Ų11493.9 Ų93.969%0.69149%0.489SS*.Hα-helixtrans-62.7-45.7177.8179.20000110.7S249 C254 F255S249-V251 VanDerWaalsContact C-N 3.29Å; S249-V251 PolarHBondContact O-N 3.4Å; S249-V251 PolarHBondContact OG-N 2.91Å; V251-C254 PolarHBondContact O-N 3.24Å; V251-F255 WeakPolarHBondContact O-CB 3.4Å; V251-F255 PolarHBondContact O-N 2.74Å
252M60.1Low58.1Low88 Ų8897.1 Ų97.143%0.43350%0.504SS..Hα-helixtrans-68.5-36.2176.4-76.5-63.5-66.900112.1I247 S249 C254 F255 V256I247-M252 HydrophobicContact CG2-CB 3.34Å; S249-M252 PolarHBondContact O-N 3.3Å; S249-M252 PolarHBondContact OG-N 3.39Å; M252-C254 PolarHBondContact O-N 3.4Å; M252-F255 PolarHBondContact O-N 3.15Å; M252-V256 WeakPolarHBondContact O-CB 3.43Å; M252-V256 VanDerWaalsContact O-CG2 3.29Å; M252-V256 WeakPolarHBondContact O-CG2 3.47Å; M252-V256 PolarHBondContact O-N 3.26Å
253K65.1Low58.9Low108 Ų10894.4 Ų94.447%0.4749%0.487SS..Hα-helixtrans-60.1-45.2171.9-75.2-175.6-173.4-178.30111.2I247 S249 V250 V256 K257I247-K253 HydrophobicContact CB-CG 4.48Å; I247-K253 HydrophobicContact CG2-CG 4.04Å; I247-K253 WeakPolarHBondContact O-CE 3.46Å; S249-K253 WeakPolarHBondContact O-CG 3.3Å; S249-K253 PolarHBondContact O-N 3.09Å; V250-K253 PolarHBondContact O-N 3.28Å; K253-V256 PolarHBondContact O-N 3.42Å; K253-K257 VanDerWaalsContact O-CB 3.26Å; K253-K257 WeakPolarHBondContact O-CB 3.48Å; K253-K257 PolarHBondContact O-N 3.05Å
254C68.8Low60Low81 Ų8190.3 Ų90.355%0.54747%0.466SS..Hα-helixtrans-62.4-44.9176.2-74.60000111.7V250 V251 M252 K257 L258V250-C254 PolarHBondContact O-N 2.97Å; V250-C254 PolarHBondContact O-SG 3.43Å; V251-C254 PolarHBondContact O-N 3.24Å; M252-C254 PolarHBondContact O-N 3.4Å; C254-K257 PolarHBondContact O-N 3.02Å; C254-L258 WeakPolarHBondContact O-CB 3.44Å; C254-L258 PolarHBondContact O-N 3.34Å
255F63.9Low61.7Low118 Ų11889.2 Ų89.252%0.51847%0.467SS..Hα-helixtrans-62.6-47.7176.1-177.9-101.4000112V251 M252 K257 L258 V259V251-F255 WeakPolarHBondContact O-CB 3.4Å; V251-F255 PolarHBondContact O-N 2.74Å; M252-F255 PolarHBondContact O-N 3.15Å; F255-K257 VanDerWaalsContact C-N 3.31Å; F255-K257 PolarHBondContact O-N 2.9Å; F255-L258 WeakPolarHBondContact O-CB 3.33Å; F255-L258 PolarHBondContact O-N 2.95Å; F255-L258 VanDerWaalsContact O-N 3.15Å; F255-V259 HydrophobicContact CD1-CG2 4.25Å; F255-V259 HydrophobicContact CD2-CG2 4.31Å; F255-V259 HydrophobicContact CE1-CG2 3.91Å; F255-V259 HydrophobicContact CE2-CG2 3.97Å; F255-V259 HydrophobicContact CG-CG2 4.44Å; F255-V259 HydrophobicContact CZ-CG2 3.77Å; F255-V259 VanDerWaalsContact O-CG2 3.29Å; F255-V259 WeakPolarHBondContact O-CG2 3.49Å; F255-V259 PolarHBondContact O-N 2.87Å
256V56.7Low63.7Low21 Ų2182 Ų8213%0.12745%0.446CS..Hα-helixtrans-63.3-37.6176.2173.50000111.2D244 I247 M252 K253 L258 V259 K260D244-V256 HydrophobicContact CB-CG1 4.03Å; I247-V256 HydrophobicContact CD1-CB 4.33Å; I247-V256 HydrophobicContact CD1-CG2 3.45Å; I247-V256 VanDerWaalsContact CD1-CG2 3.45Å; M252-V256 WeakPolarHBondContact O-CB 3.43Å; M252-V256 VanDerWaalsContact O-CG2 3.29Å; M252-V256 WeakPolarHBondContact O-CG2 3.47Å; M252-V256 PolarHBondContact O-N 3.26Å; K253-V256 PolarHBondContact O-N 3.42Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.45Å; V256-V259 PolarHBondContact O-N 3.36Å; V256-K260 HydrophobicContact CG1-CD 4.25Å; V256-K260 HydrophobicContact CG1-CG 4.06Å; V256-K260 WeakPolarHBondContact O-CA 3.43Å; V256-K260 WeakPolarHBondContact O-CB 3.17Å; V256-K260 VanDerWaalsContact O-CG 3.23Å; V256-K260 WeakPolarHBondContact O-CG 3.48Å; V256-K260 PolarHBondContact O-N 3.49Å
257K57.1Low65.7Low165 Ų16579.9 Ų79.972%0.71743%0.432SS*.Hα-helixtrans-66.5-34.4175.1-155.1179.5-172.5-176.20112.2K253 C254 F255 P261K253-K257 VanDerWaalsContact O-CB 3.26Å; K253-K257 WeakPolarHBondContact O-CB 3.48Å; K253-K257 PolarHBondContact O-N 3.05Å; C254-K257 PolarHBondContact O-N 3.02Å; F255-K257 VanDerWaalsContact C-N 3.31Å; F255-K257 PolarHBondContact O-N 2.9Å; K257-P261 VanDerWaalsContact O-CD 3.25Å; K257-P261 WeakPolarHBondContact O-CD 3.27Å
258L64.3Low67.6Low135 Ų13583.4 Ų83.471%0.70745%0.446SS*.Hα-helixtrans-72.2-37.3175.8-173.369.1000112.4C254 F255 V256 P261C254-L258 WeakPolarHBondContact O-CB 3.44Å; C254-L258 PolarHBondContact O-N 3.34Å; F255-L258 WeakPolarHBondContact O-CB 3.33Å; F255-L258 PolarHBondContact O-N 2.95Å; F255-L258 VanDerWaalsContact O-N 3.15Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.45Å; L258-P261 WeakPolarHBondContact O-CD 3.2Å
259V52.9Low69.2Low37 Ų3776.3 Ų76.322%0.22441%0.408CS..Hα-helixtrans-86.7-25.2-179.9-178.40000111.7F255 V256 P261 L262 F263F255-V259 HydrophobicContact CD1-CG2 4.25Å; F255-V259 HydrophobicContact CD2-CG2 4.31Å; F255-V259 HydrophobicContact CE1-CG2 3.91Å; F255-V259 HydrophobicContact CE2-CG2 3.97Å; F255-V259 HydrophobicContact CG-CG2 4.44Å; F255-V259 HydrophobicContact CZ-CG2 3.77Å; F255-V259 VanDerWaalsContact O-CG2 3.29Å; F255-V259 WeakPolarHBondContact O-CG2 3.49Å; F255-V259 PolarHBondContact O-N 2.87Å; V256-V259 PolarHBondContact O-N 3.36Å; V259-P261 VanDerWaalsContact C-CD 3.41Å; V259-P261 VanDerWaalsContact C-N 3.31Å; V259-P261 VanDerWaalsContact O-N 3.16Å; V259-L262 HydrophobicContact CG1-CD1 4.1Å; V259-L262 WeakPolarHBondContact O-CA 3.43Å; V259-L262 WeakPolarHBondContact O-CB 3.19Å; V259-L262 PolarHBondContact O-N 3.13Å; V259-F263 HydrophobicContact CB-CE2 4.38Å; V259-F263 HydrophobicContact CG1-CD2 4.36Å; V259-F263 HydrophobicContact CG1-CE2 3.7Å; V259-F263 HydrophobicContact CG1-CZ 4.4Å; V259-F263 VanDerWaalsContact O-CD2 3.29Å; V259-F263 WeakPolarHBondContact O-CD2 3.41Å
260K52.6Low70.8Confident48 Ų4873.6 Ų73.621%0.20939%0.389CS..G310 helixtrans-46.7-42.9178.5-102.5-176.6177.2-165.40113.8K240 D244 V256 L262 F263K240-K260 WeakPolarHBondContact CE-O 3.38Å; D244-K260 WeakPolarHBondContact OD1-CE 3.46Å; D244-K260 IonicContact OD1-NZ 3.58Å; D244-K260 PolarHBondContact OD1-NZ 3.33Å; D244-K260 IonicContact OD2-NZ 3.57Å; D244-K260 PolarHBondContact OD2-NZ 2.87Å; V256-K260 HydrophobicContact CG1-CD 4.25Å; V256-K260 HydrophobicContact CG1-CG 4.06Å; V256-K260 WeakPolarHBondContact O-CA 3.43Å; V256-K260 WeakPolarHBondContact O-CB 3.17Å; V256-K260 VanDerWaalsContact O-CG 3.23Å; V256-K260 WeakPolarHBondContact O-CG 3.48Å; V256-K260 PolarHBondContact O-N 3.49Å; K260-L262 VanDerWaalsContact C-N 3.25Å; K260-L262 PolarHBondContact O-N 3.41Å; K260-F263 WeakPolarHBondContact O-CB 3.29Å; K260-F263 PolarHBondContact O-N 3.46Å; K260-F263 VanDerWaalsContact O-N 3.15Å
261P54.3Low72Confident93 Ų9368.5 Ų68.560%0.60436%0.358SS*.G310 helixtrans-61-25.9174.4-24.834.2000115.2K257 L258 V259 F263K257-P261 VanDerWaalsContact O-CD 3.25Å; K257-P261 WeakPolarHBondContact O-CD 3.27Å; L258-P261 WeakPolarHBondContact O-CD 3.2Å; V259-P261 VanDerWaalsContact C-CD 3.41Å; V259-P261 VanDerWaalsContact C-N 3.31Å; V259-P261 VanDerWaalsContact O-N 3.16Å; P261-F263 PolarHBondContact O-N 2.62Å
262L57.8Low73.2Confident128 Ų12863.3 Ų63.367%0.6733%0.326SS*.G310 helixtrans-73.2-16.9176.3-61.4171.1000112.5V259 K260V259-L262 HydrophobicContact CG1-CD1 4.1Å; V259-L262 WeakPolarHBondContact O-CA 3.43Å; V259-L262 WeakPolarHBondContact O-CB 3.19Å; V259-L262 PolarHBondContact O-N 3.13Å; K260-L262 VanDerWaalsContact C-N 3.25Å; K260-L262 PolarHBondContact O-N 3.41Å
263F63.5Low75.1Confident53 Ų5359.1 Ų59.123%0.23231%0.306CS..SBendtrans-82.5140177.8-66.5-98.1000111.7A238 V239 K240 V259 K260 P261A238-F263 HydrophobicContact CB-CD1 4.06Å; A238-F263 HydrophobicContact CB-CE1 4.49Å; A238-F263 CarbonylContact O-C 3.57Å; A238-F263 WeakPolarHBondContact O-CA 3.35Å; A238-F263 WeakPolarHBondContact O-CB 3.48Å; V239-F263 VanDerWaalsContact O-CD1 3.22Å; V239-F263 WeakPolarHBondContact O-CD1 3.44Å; K240-F263 HydrophobicContact CB-CB 4.09Å; K240-F263 WeakPolarHBondContact CE-O 3.32Å; K240-F263 HydrophobicContact CG-CB 3.45Å; K240-F263 VanDerWaalsContact CG-CB 3.45Å; K240-F263 HydrophobicContact CG-CG 4.48Å; V259-F263 HydrophobicContact CB-CE2 4.38Å; V259-F263 HydrophobicContact CG1-CD2 4.36Å; V259-F263 HydrophobicContact CG1-CE2 3.7Å; V259-F263 HydrophobicContact CG1-CZ 4.4Å; V259-F263 VanDerWaalsContact O-CD2 3.29Å; V259-F263 WeakPolarHBondContact O-CD2 3.41Å; K260-F263 WeakPolarHBondContact O-CB 3.29Å; K260-F263 PolarHBondContact O-N 3.46Å; K260-F263 VanDerWaalsContact O-N 3.15Å; P261-F263 PolarHBondContact O-N 2.62Å
264L72.1Confident76.6Confident12 Ų1254 Ų546%0.06328%0.284CS..BIsolated β-bridgetrans-63.2142.1179.2-60179000111.3Y9 A238 V239 K240 K268Y9-L264 HydrophobicContact CD1-CD1 3.79Å; Y9-L264 HydrophobicContact CD1-CD2 3.78Å; Y9-L264 HydrophobicContact CD1-CG 4.28Å; Y9-L264 HydrophobicContact CD2-CD2 3.88Å; Y9-L264 HydrophobicContact CE1-CD1 3.89Å; Y9-L264 HydrophobicContact CE1-CD2 3.89Å; Y9-L264 HydrophobicContact CE1-CG 4.16Å; Y9-L264 HydrophobicContact CE2-CD2 3.99Å; Y9-L264 HydrophobicContact CG-CD2 3.76Å; A238-L264 PolarHBondContact O-N 2.98Å; V239-L264 CarbonylContact C-O 3.53Å; V239-L264 VanDerWaalsContact CA-O 3.32Å; V239-L264 WeakPolarHBondContact CA-O 3.23Å; V239-L264 WeakPolarHBondContact CG1-O 3.34Å; V239-L264 HydrophobicContact CG2-CB 4.12Å; K240-L264 PolarHBondContact N-O 3.36Å; L264-K268 HydrophobicContact CB-CB 4.02Å; L264-K268 HydrophobicContact CD1-CB 4.43Å; L264-K268 HydrophobicContact CD2-CB 4.11Å; L264-K268 HydrophobicContact CD2-CD 3.81Å; L264-K268 HydrophobicContact CG-CB 4.42Å
265G85.7Confident78.1Confident30 Ų3051.5 Ų51.531%0.30926%0.263SS..PPolyproline II helixtrans-69.8159165.600000111.3W267 K268 G269G265-W267 PolarHBondContact O-N 3.23Å; G265-W267 VanDerWaalsContact O-N 3.1Å; G265-K268 PolarHBondContact O-N 2.97Å; G265-G269 PolarHBondContact O-N 2.98Å
266P91Very high79.7Confident53 Ų5345.9 Ų45.934%0.34424%0.238SC..Hα-helixtrans-50.2-37.8179.9-31.637.4000114.6V35 G269 A270V35-P266 HydrophobicContact CG2-CB 3.81Å; P266-G269 WeakPolarHBondContact O-CA 3.24Å; P266-G269 PolarHBondContact O-N 3.18Å; P266-A270 PolarHBondContact O-N 3.21Å
267W94.7Very high81.7Confident47 Ų4744.9 Ų44.918%0.17823%0.232CC..Hα-helixtrans-64.6-42.5178.5-178.590.8000113.6V35 D79 A81 G265 G269 A270 Q271V35-W267 HydrophobicContact CG1-CB 4.21Å; V35-W267 HydrophobicContact CG1-CG 4.32Å; D79-W267 HydrophobicContact CB-CG 4.45Å; D79-W267 WeakPolarHBondContact O-CZ2 3.28Å; D79-W267 PolarHBondContact O-NE1 3.4Å; A81-W267 HydrophobicContact CB-CH2 4.06Å; A81-W267 HydrophobicContact CB-CZ2 4.32Å; G265-W267 PolarHBondContact O-N 3.23Å; G265-W267 VanDerWaalsContact O-N 3.1Å; W267-G269 VanDerWaalsContact C-N 3.31Å; W267-A270 PolarHBondContact O-N 3.32Å; W267-Q271 VanDerWaalsContact CE2-NE2 3.34Å; W267-Q271 HydrophobicContact CZ3-CG 4.44Å; W267-Q271 WeakPolarHBondContact O-CG 3.37Å; W267-Q271 PolarHBondContact O-NE2 2.99Å
268K93.2Very high83.7Confident104 Ų10437 Ų3745%0.45220%0.198SC..Hα-helixtrans-66.8-37.1172.4-74.4-168.4179.6-178.80110.9L264 G265 A270 Q271L264-K268 HydrophobicContact CB-CB 4.02Å; L264-K268 HydrophobicContact CD1-CB 4.43Å; L264-K268 HydrophobicContact CD2-CB 4.11Å; L264-K268 HydrophobicContact CD2-CD 3.81Å; L264-K268 HydrophobicContact CG-CB 4.42Å; G265-K268 PolarHBondContact O-N 2.97Å; K268-A270 VanDerWaalsContact C-N 3.29Å; K268-A270 PolarHBondContact O-N 3.07Å; K268-Q271 WeakPolarHBondContact O-CB 3.34Å; K268-Q271 WeakPolarHBondContact O-CG 3.41Å; K268-Q271 PolarHBondContact O-N 2.79Å
269G92.9Very high85.3Confident0 Ų030.7 Ų30.70%017%0.165CC..Hα-helixtrans-59.6-35.417600000114.2P236 G265 P266 W267 Q271P236-G269 WeakPolarHBondContact CA-O 3.45Å; P236-G269 WeakPolarHBondContact CB-O 3.36Å; P236-G269 WeakPolarHBondContact O-CA 3.46Å; G265-G269 PolarHBondContact O-N 2.98Å; P266-G269 WeakPolarHBondContact O-CA 3.24Å; P266-G269 PolarHBondContact O-N 3.18Å; W267-G269 VanDerWaalsContact C-N 3.31Å; G269-Q271 VanDerWaalsContact C-N 3.3Å; G269-Q271 PolarHBondContact O-N 3.03Å
270A96.3Very high87.3Confident1 Ų134.3 Ų34.31%0.00818%0.183CC..Hα-helixtrans-76.2-12.6-179.800000113.9I32 V35 P266 W267 K268 T272 T273 L274I32-A270 HydrophobicContact CG2-CB 4.07Å; V35-A270 HydrophobicContact CB-CB 4.14Å; V35-A270 HydrophobicContact CG1-CB 3.94Å; P266-A270 PolarHBondContact O-N 3.21Å; W267-A270 PolarHBondContact O-N 3.32Å; K268-A270 VanDerWaalsContact C-N 3.29Å; K268-A270 PolarHBondContact O-N 3.07Å; A270-T272 PolarHBondContact O-N 3.36Å; A270-T273 WeakPolarHBondContact O-CB 3.33Å; A270-T273 PolarHBondContact O-N 3.29Å; A270-L274 WeakPolarHBondContact O-CB 3.14Å; A270-L274 PolarHBondContact O-N 2.73Å
271Q97.3Very high89.3Confident2 Ų237.7 Ų37.71%0.00920%0.203CC..Hα-helixtrans-65.7-37.8-169.7-64.8-58.7-56.800113.7W267 K268 G269 Y275 C291W267-Q271 VanDerWaalsContact CE2-NE2 3.34Å; W267-Q271 HydrophobicContact CZ3-CG 4.44Å; W267-Q271 WeakPolarHBondContact O-CG 3.37Å; W267-Q271 PolarHBondContact O-NE2 2.99Å; K268-Q271 WeakPolarHBondContact O-CB 3.34Å; K268-Q271 WeakPolarHBondContact O-CG 3.41Å; K268-Q271 PolarHBondContact O-N 2.79Å; G269-Q271 VanDerWaalsContact C-N 3.3Å; G269-Q271 PolarHBondContact O-N 3.03Å; Q271-Y275 WeakPolarHBondContact O-CB 3.44Å; Q271-Y275 PolarHBondContact O-N 3.39Å; Q271-C291 PolarHBondContact O-SG 3.3Å
272T97.7Very high91.4Very high5 Ų534.5 Ų34.53%0.03118%0.181CC..Hα-helixtrans-71.3-39.1177-57.10000110.7V234 A270 Y275 T276 N290 C291V234-T272 HydrophobicContact CG1-CG2 3.64Å; V234-T272 HydrophobicContact CG2-CG2 4.36Å; A270-T272 PolarHBondContact O-N 3.36Å; T272-Y275 WeakPolarHBondContact O-CB 3.48Å; T272-Y275 PolarHBondContact O-N 3.3Å; T272-T276 PolarHBondContact O-N 3.09Å; T272-T276 PolarHBondContact O-OG1 3.48Å; T272-N290 PolarHBondContact OG1-N 3.41Å; T272-N290 VanDerWaalsContact OG1-N 3.17Å; T272-C291 PolarHBondContact OG1-N 3.3Å; T272-C291 VanDerWaalsContact OG1-N 3.15Å
273T98.5Very high93.3Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-59.8-48.2173-56.90000110.9T36 I128 I176 L178 A270 Y275 T276 V277T36-T273 HydrophobicContact CG2-CG2 3.91Å; I128-T273 HydrophobicContact CG2-CG2 3.81Å; I176-T273 HydrophobicContact CG2-CG2 4.25Å; L178-T273 HydrophobicContact CD2-CG2 4.49Å; A270-T273 WeakPolarHBondContact O-CB 3.33Å; A270-T273 PolarHBondContact O-N 3.29Å; T273-Y275 VanDerWaalsContact C-N 3.33Å; T273-Y275 PolarHBondContact O-N 2.88Å; T273-T276 WeakPolarHBondContact CA-OG1 3.32Å; T273-T276 CarbonylContact O-C 3.43Å; T273-T276 PolarHBondContact O-N 2.73Å; T273-T276 VanDerWaalsContact O-N 3.11Å; T273-T276 PolarHBondContact O-OG1 3.35Å; T273-V277 PolarHBondContact O-N 2.94Å
274L98.3Very high94.9Very high2 Ų232.6 Ų32.61%0.0118%0.177CC..Hα-helixtrans-60.3-43176.8-174.362.2000111.7C12 E39 L40 A270 T276 V277 L278C12-L274 HydrophobicContact CB-CB 4.5Å; C12-L274 HydrophobicContact CB-CD2 4.3Å; C12-L274 HydrophobicContact CB-CG 4.39Å; E39-L274 HydrophobicContact CB-CD1 4.01Å; E39-L274 HydrophobicContact CB-CD2 4.2Å; E39-L274 HydrophobicContact CG-CD2 4.19Å; L40-L274 HydrophobicContact CD2-CD1 4.32Å; A270-L274 WeakPolarHBondContact O-CB 3.14Å; A270-L274 PolarHBondContact O-N 2.73Å; L274-T276 VanDerWaalsContact C-N 3.31Å; L274-T276 PolarHBondContact O-N 2.69Å; L274-V277 PolarHBondContact O-N 3.43Å; L274-V277 VanDerWaalsContact O-N 3.08Å; L274-L278 HydrophobicContact CD1-CD1 3.71Å; L274-L278 HydrophobicContact CD1-CG 4.06Å; L274-L278 HydrophobicContact CD2-CD1 4.44Å; L274-L278 HydrophobicContact CG-CD1 3.75Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.04Å
275Y98.4Very high96.2Very high27 Ų2732.9 Ų32.911%0.10618%0.182CC..Hα-helixtrans-56.4-44.7173.3178.6-90.8000111.8E3 T4 I14 Q271 T272 T273 V277 L278 S279 L282 Y288 C291E3-Y275 HydrophobicContact CB-CE2 4.11Å; E3-Y275 VanDerWaalsContact OE2-CE2 3.32Å; E3-Y275 WeakPolarHBondContact OE2-CE2 3.42Å; E3-Y275 PolarHBondContact OE2-OH 3.15Å; T4-Y275 HydrophobicContact CG2-CD2 3.98Å; T4-Y275 HydrophobicContact CG2-CE2 3.93Å; I14-Y275 HydrophobicContact CD1-CD2 3.86Å; I14-Y275 HydrophobicContact CD1-CE2 4.02Å; Q271-Y275 WeakPolarHBondContact O-CB 3.44Å; Q271-Y275 PolarHBondContact O-N 3.39Å; T272-Y275 WeakPolarHBondContact O-CB 3.48Å; T272-Y275 PolarHBondContact O-N 3.3Å; T273-Y275 VanDerWaalsContact C-N 3.33Å; T273-Y275 PolarHBondContact O-N 2.88Å; Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 2.81Å; Y275-L278 PolarHBondContact O-N 2.96Å; Y275-S279 VanDerWaalsContact O-CB 3.26Å; Y275-S279 WeakPolarHBondContact O-CB 3.49Å; Y275-S279 PolarHBondContact O-N 3.2Å; Y275-L282 HydrophobicContact CE1-CD2 4.34Å; Y275-Y288 HydrophobicContact CD1-CD1 4.45Å; Y275-Y288 HydrophobicContact CE1-CD1 4.16Å; Y275-Y288 HydrophobicContact CE1-CE1 4.23Å; Y275-C291 HydrophobicContact CD1-CB 4.28Å; Y275-C291 HydrophobicContact CD2-CB 3.78Å; Y275-C291 WeakPolarHBondContact CE1-O 3.34Å; Y275-C291 HydrophobicContact CE2-CB 4.33Å; Y275-C291 HydrophobicContact CG-CB 3.74Å; Y275-C291 VanDerWaalsContact CZ-O 3.29Å
276T98.6Very high96.8Very high0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-71.4-16.6176.455.40000114.8R174 V232 V234 T272 T273 L274 L282 Y288R174-T276 WeakPolarHBondContact CD-O 3.13Å; R174-T276 PolarHBondContact NH1-O 3.39Å; V232-T276 HydrophobicContact CG2-CG2 3.89Å; V234-T276 HydrophobicContact CG2-CG2 3.66Å; T272-T276 PolarHBondContact O-N 3.09Å; T272-T276 PolarHBondContact O-OG1 3.48Å; T273-T276 WeakPolarHBondContact CA-OG1 3.32Å; T273-T276 CarbonylContact O-C 3.43Å; T273-T276 PolarHBondContact O-N 2.73Å; T273-T276 VanDerWaalsContact O-N 3.11Å; T273-T276 PolarHBondContact O-OG1 3.35Å; L274-T276 VanDerWaalsContact C-N 3.31Å; L274-T276 PolarHBondContact O-N 2.69Å; T276-L282 HydrophobicContact CG2-CD2 4.18Å; T276-L282 WeakPolarHBondContact O-CD1 3.45Å; T276-Y288 HydrophobicContact CG2-CD1 4.22Å; T276-Y288 HydrophobicContact CG2-CD2 4.18Å; T276-Y288 HydrophobicContact CG2-CG 3.81Å
277V98.7Very high97.2Very high1 Ų129.6 Ų29.61%0.00616%0.156CC..Hα-helixtrans-82.3-33.9170.1172.90000111.3L18 L40 F126 I128 R174 I176 T273 L274 Y275L18-V277 HydrophobicContact CD1-CG1 4.14Å; L40-V277 HydrophobicContact CD2-CB 4.23Å; L40-V277 HydrophobicContact CD2-CG1 3.6Å; L40-V277 HydrophobicContact CD2-CG2 4.34Å; F126-V277 HydrophobicContact CD1-CG1 3.88Å; F126-V277 HydrophobicContact CD2-CG1 4.38Å; F126-V277 HydrophobicContact CE1-CG1 3.75Å; F126-V277 HydrophobicContact CE2-CG1 4.25Å; F126-V277 HydrophobicContact CG-CG1 4.21Å; F126-V277 HydrophobicContact CZ-CG1 3.93Å; I128-V277 HydrophobicContact CG1-CG2 4.39Å; R174-V277 PolarHBondContact NH1-O 2.76Å; I176-V277 HydrophobicContact CD1-CG2 4Å; T273-V277 PolarHBondContact O-N 2.94Å; L274-V277 PolarHBondContact O-N 3.43Å; L274-V277 VanDerWaalsContact O-N 3.08Å; Y275-V277 VanDerWaalsContact C-N 3.28Å; Y275-V277 PolarHBondContact O-N 2.81Å
278L98.4Very high97.4Very high0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-100.4-31.7-168.6-59.2177.9000114.9I14 K16 L18 L274 Y275I14-L278 HydrophobicContact CB-CB 3.98Å; I14-L278 HydrophobicContact CB-CD1 4.27Å; I14-L278 HydrophobicContact CD1-CB 4.07Å; I14-L278 HydrophobicContact CG2-CB 3.77Å; K16-L278 HydrophobicContact CB-CD2 4.26Å; L18-L278 HydrophobicContact CD1-CD2 4.1Å; L18-L278 HydrophobicContact CD2-CD2 3.99Å; L18-L278 HydrophobicContact CG-CD2 4.16Å; L274-L278 HydrophobicContact CD1-CD1 3.71Å; L274-L278 HydrophobicContact CD1-CG 4.06Å; L274-L278 HydrophobicContact CD2-CD1 4.44Å; L274-L278 HydrophobicContact CG-CD1 3.75Å; L274-L278 HydrophobicContact CG-CG 4.36Å; L274-L278 VanDerWaalsContact O-CG 3.3Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.04Å; Y275-L278 PolarHBondContact O-N 2.96Å
279S97.4Very high97.5Very high1 Ų123.5 Ų23.51%0.00713%0.133CC..  trans-68.1137.2-174.7-174.40000111.5E3 R174 Y275 N281E3-S279 PolarHBondContact OE2-OG 3Å; R174-S279 PolarHBondContact NH1-O 2.7Å; R174-S279 PolarHBondContact NH2-O 3.02Å; Y275-S279 VanDerWaalsContact O-CB 3.26Å; Y275-S279 WeakPolarHBondContact O-CB 3.49Å; Y275-S279 PolarHBondContact O-N 3.2Å; S279-N281 VanDerWaalsContact C-N 3.32Å; S279-N281 PolarHBondContact OG-N 3.44Å
280D95.7Very high97.6Very high114 Ų11425.7 Ų25.761%0.6115%0.145SC*.SBendtrans-85.5-9.5176-63.3-40.6000112.1K16 R174K16-D280 IonicContact NZ-OD1 3.46Å; K16-D280 PolarHBondContact NZ-OD1 3.19Å; K16-D280 IonicContact NZ-OD2 3.73Å; R174-D280 IonicContact NH2-OD1 3.97Å
281N94.3Very high97.6Very high118 Ų11825.9 Ų25.963%0.63115%0.146SC*.  trans-106.243.5-171.9-61.4-51.4000112.7E3 S279E3-N281 PolarHBondContact OE1-ND2 3.25Å; S279-N281 VanDerWaalsContact C-N 3.32Å; S279-N281 PolarHBondContact OG-N 3.44Å
282L97.9Very high97.6Very high27 Ų2727.3 Ų27.314%0.14116%0.159CC..  trans-89.4142.2178.9-62.8177.5000111.8R174 T230 Y275 T276 Y288R174-L282 VanDerWaalsContact NH1-CD1 3.25Å; T230-L282 HydrophobicContact CG2-CB 3.82Å; T230-L282 HydrophobicContact CG2-CD1 4.34Å; Y275-L282 HydrophobicContact CE1-CD2 4.34Å; T276-L282 HydrophobicContact CG2-CD2 4.18Å; T276-L282 WeakPolarHBondContact O-CD1 3.45Å; L282-Y288 WeakPolarHBondContact CA-OH 3.42Å; L282-Y288 HydrophobicContact CD2-CD1 4.23Å; L282-Y288 HydrophobicContact CD2-CE1 3.59Å; L282-Y288 HydrophobicContact CD2-CE2 4.12Å
283I98.1Very high97.6Very high99 Ų9930.9 Ų30.951%0.50818%0.177SC..  trans-99.1115.9170.9-62.1-178.6000107.1G286 Y288 L293I283-G286 WeakPolarHBondContact O-CA 3.35Å; I283-G286 PolarHBondContact O-N 2.82Å; I283-Y288 PolarHBondContact N-OH 3.26Å; I283-L293 HydrophobicContact CD1-CD2 3.77Å
284S98.5Very high97.6Very high42 Ų4235.4 Ų35.429%0.29420%0.197SC..THydrogen-bonded Turntrans-59.3138.8174.4-159.10000110.1G221 V231 G286G221-S284 WeakPolarHBondContact CA-OG 3.44Å; V231-S284 PolarHBondContact N-OG 2.73Å; V231-S284 CarbonylContact O-C 3.58Å; V231-S284 WeakPolarHBondContact O-CA 3.36Å; S284-G286 PolarHBondContact O-N 3.37Å
285G98.5Very high97.5Very high18 Ų1841.2 Ų41.219%0.18622%0.224CC..THydrogen-bonded Turntrans79.3-4.5-16900000115A217 V231A217-G285 WeakPolarHBondContact O-CA 3.45Å; V231-G285 PolarHBondContact O-N 3.39Å
286G98.5Very high97.5Very high8 Ų840.9 Ų40.98%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-71.5149.9-176.400000114.4V232 S233 I283 S284V232-G286 WeakPolarHBondContact CA-O 3.44Å; S233-G286 PolarHBondContact N-O 3.09Å; I283-G286 WeakPolarHBondContact O-CA 3.35Å; I283-G286 PolarHBondContact O-N 2.82Å; S284-G286 PolarHBondContact O-N 3.37Å
287Y98.7Very high97.5Very high5 Ų541.6 Ų41.62%0.0223%0.23CC..EExtended strand (participates in β ladder)trans-100.9124.3169.6173.1-108.5000109.9H183 Y184 S233 H235 K294 P296H183-Y287 AromaticContact CE1-CE1 3.73Å; H183-Y287 AromaticContact CE1-CE2 3.79Å; H183-Y287 AromaticContact CE1-CZ 3.41Å; H183-Y287 VanDerWaalsContact CE1-CZ 3.41Å; H183-Y287 PolarHBondContact CE1-OH 2.93Å; H183-Y287 AromaticContact ND1-CE2 3.91Å; H183-Y287 AromaticContact ND1-CZ 3.76Å; Y184-Y287 HydrophobicContact CE2-CE1 4.48Å; S233-Y287 CarbonylContact O-C 3.54Å; S233-Y287 WeakPolarHBondContact O-CA 3.44Å; S233-Y287 WeakPolarHBondContact OG-CD2 3.41Å; H235-Y287 HydrophobicContact CB-CE2 4Å; H235-Y287 WeakPolarHBondContact CB-OH 3.46Å; Y287-K294 HydrophobicContact CD1-CB 3.76Å; Y287-K294 HydrophobicContact CE1-CB 4.04Å; Y287-K294 PolarHBondContact O-N 3.29Å; Y287-P296 HydrophobicContact CD1-CB 4.39Å; Y287-P296 HydrophobicContact CG-CB 4.22Å
288Y98.5Very high97.5Very high4 Ų447.1 Ų47.12%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-115.3134.3-175.4-73.7-99.4000111.2V232 S233 V234 H235 Y275 T276 L282 I283 A292 L293V232-Y288 HydrophobicContact CB-CD2 3.95Å; V232-Y288 HydrophobicContact CB-CE2 4.18Å; V232-Y288 HydrophobicContact CG1-CD2 3.9Å; V232-Y288 HydrophobicContact CG1-CE2 3.59Å; S233-Y288 PolarHBondContact O-N 2.97Å; V234-Y288 CarbonylContact C-O 3.58Å; V234-Y288 WeakPolarHBondContact CA-O 3.5Å; H235-Y288 PolarHBondContact N-O 3.13Å; Y275-Y288 HydrophobicContact CD1-CD1 4.45Å; Y275-Y288 HydrophobicContact CE1-CD1 4.16Å; Y275-Y288 HydrophobicContact CE1-CE1 4.23Å; T276-Y288 HydrophobicContact CG2-CD1 4.22Å; T276-Y288 HydrophobicContact CG2-CD2 4.18Å; T276-Y288 HydrophobicContact CG2-CG 3.81Å; L282-Y288 WeakPolarHBondContact CA-OH 3.42Å; L282-Y288 HydrophobicContact CD2-CD1 4.23Å; L282-Y288 HydrophobicContact CD2-CE1 3.59Å; L282-Y288 HydrophobicContact CD2-CE2 4.12Å; I283-Y288 PolarHBondContact N-OH 3.26Å; Y288-A292 CarbonylContact C-O 3.53Å; Y288-A292 VanDerWaalsContact CA-O 3.31Å; Y288-A292 WeakPolarHBondContact CA-O 3.48Å; Y288-L293 HydrophobicContact CD1-CB 4.44Å; Y288-L293 HydrophobicContact CD2-CD1 4.35Å; Y288-L293 HydrophobicContact CE1-CB 3.95Å; Y288-L293 HydrophobicContact CE1-CD1 4.36Å; Y288-L293 HydrophobicContact CE2-CD1 3.79Å
289S96.7Very high97.4Very high19 Ų1949.3 Ų49.313%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-147.3143.3171.6-171.10000110.3H235 C291 A292 K294H235-S289 PolarHBondContact CD2-OG 3.44Å; H235-S289 VanDerWaalsContact CD2-OG 3.24Å; S289-C291 VanDerWaalsContact C-N 3.27Å; S289-C291 PolarHBondContact O-N 3.13Å; S289-A292 PolarHBondContact N-O 3.43Å; S289-A292 PolarHBondContact O-N 3.05Å; S289-A292 VanDerWaalsContact O-N 3.16Å; S289-K294 WeakPolarHBondContact O-CE 3.31Å
290N95Very high97.5Very high46 Ų4649.4 Ų49.425%0.24628%0.276CS..THydrogen-bonded Turntrans56.343.7-179.1-152.729.3000111.9C8 Y9 K10 T272 A292C8-N290 PolarHBondContact O-ND2 2.79Å; C8-N290 VanDerWaalsContact O-ND2 3.08Å; Y9-N290 WeakPolarHBondContact CA-OD1 3.16Å; K10-N290 WeakPolarHBondContact CB-O 3.06Å; K10-N290 WeakPolarHBondContact CG-O 3.14Å; K10-N290 PolarHBondContact N-OD1 3.14Å; T272-N290 PolarHBondContact OG1-N 3.41Å; T272-N290 VanDerWaalsContact OG1-N 3.17Å; N290-A292 PolarHBondContact O-N 3.25Å
291C96.3Very high97.6Very high5 Ų549 Ų493%0.03427%0.269CS..THydrogen-bonded Turntrans54.432.1-176.8-54.80000114.4T4 K10 Q271 T272 Y275 S289T4-C291 HydrophobicContact CG2-CB 3.44Å; T4-C291 VanDerWaalsContact CG2-CB 3.44Å; K10-C291 HydrophobicContact CB-CB 3.97Å; Q271-C291 PolarHBondContact O-SG 3.3Å; T272-C291 PolarHBondContact OG1-N 3.3Å; T272-C291 VanDerWaalsContact OG1-N 3.15Å; Y275-C291 HydrophobicContact CD1-CB 4.28Å; Y275-C291 HydrophobicContact CD2-CB 3.78Å; Y275-C291 WeakPolarHBondContact CE1-O 3.34Å; Y275-C291 HydrophobicContact CE2-CB 4.33Å; Y275-C291 HydrophobicContact CG-CB 3.74Å; Y275-C291 VanDerWaalsContact CZ-O 3.29Å; S289-C291 VanDerWaalsContact C-N 3.27Å; S289-C291 PolarHBondContact O-N 3.13Å
292A96.8Very high97.8Very high33 Ų3346.6 Ų46.627%0.27326%0.256SS..EExtended strand (participates in β ladder)trans-146.8153.817800000111.3Y288 S289 N290Y288-A292 CarbonylContact C-O 3.53Å; Y288-A292 VanDerWaalsContact CA-O 3.31Å; Y288-A292 WeakPolarHBondContact CA-O 3.48Å; S289-A292 PolarHBondContact N-O 3.43Å; S289-A292 PolarHBondContact O-N 3.05Å; S289-A292 VanDerWaalsContact O-N 3.16Å; N290-A292 PolarHBondContact O-N 3.25Å
293L98Very high97.8Very high79 Ų7951.6 Ų51.641%0.41428%0.276SS..EExtended strand (participates in β ladder)trans-62.9139169.7-176.372000109.8I283 Y288I283-L293 HydrophobicContact CD1-CD2 3.77Å; Y288-L293 HydrophobicContact CD1-CB 4.44Å; Y288-L293 HydrophobicContact CD2-CD1 4.35Å; Y288-L293 HydrophobicContact CE1-CB 3.95Å; Y288-L293 HydrophobicContact CE1-CD1 4.36Å; Y288-L293 HydrophobicContact CE2-CD1 3.79Å
294K97.6Very high97.9Very high96 Ų9652.3 Ų52.342%0.41728%0.281SS..EExtended strand (participates in β ladder)trans-136.6158.2178.6-61.7-61.6171.3-167.40111Y287 S289 P296Y287-K294 HydrophobicContact CD1-CB 3.76Å; Y287-K294 HydrophobicContact CE1-CB 4.04Å; Y287-K294 PolarHBondContact O-N 3.29Å; S289-K294 WeakPolarHBondContact O-CE 3.31Å; K294-P296 WeakPolarHBondContact O-CD 3.23Å
295E97.6Very high97.9Very high123 Ų12352.6 Ų52.658%0.57528%0.278SS*.  trans-73.5119172.8-73.6-61.9127.800110.6Y184 K301Y184-E295 PolarHBondContact OH-O 3.09Å; E295-K301 WeakPolarHBondContact OE2-CD 3.49Å; E295-K301 IonicContact OE2-NZ 3.47Å; E295-K301 PolarHBondContact OE2-NZ 3.06Å
296P98.1Very high97.8Very high20 Ų2052.4 Ų52.413%0.1327%0.271CS..  trans-75.2175.4171.934.3-35.4000110.9Y287 K294 V300 K301Y287-P296 HydrophobicContact CD1-CB 4.39Å; Y287-P296 HydrophobicContact CG-CB 4.22Å; K294-P296 WeakPolarHBondContact O-CD 3.23Å; P296-V300 HydrophobicContact CB-CB 3.83Å; P296-V300 HydrophobicContact CB-CG1 3.8Å; P296-V300 HydrophobicContact CB-CG2 4.21Å; P296-V300 HydrophobicContact CG-CB 4Å; P296-V300 HydrophobicContact CG-CG1 3.78Å; P296-K301 HydrophobicContact CG-CD 4.49Å; P296-K301 HydrophobicContact CG-CG 3.98Å
297S97.8Very high97.8Very high15 Ų1557.4 Ų57.411%0.10529%0.291CS..  trans-56.1152.6173.568.30000112H183 I299 V300H183-S297 PolarHBondContact NE2-N 2.75Å; S297-I299 PolarHBondContact O-N 3.43Å; S297-I299 WeakPolarHBondContact OG-CG2 3.31Å; S297-V300 WeakPolarHBondContact O-CB 3.49Å; S297-V300 PolarHBondContact O-N 2.95Å; S297-V300 WeakPolarHBondContact OG-CG2 3.39Å
298T98.1Very high97.8Very high117 Ų11760.9 Ų60.972%0.71830%0.304SS*.Hα-helixtrans-56.7-36.6-174.247.70000113.1V300 K301 N302T298-V300 VanDerWaalsContact C-N 3.34Å; T298-V300 PolarHBondContact O-N 2.88Å; T298-K301 WeakPolarHBondContact O-CB 3.11Å; T298-K301 PolarHBondContact O-N 3.02Å; T298-K301 VanDerWaalsContact O-N 3.1Å; T298-N302 PolarHBondContact O-N 3.37Å
299I98.3Very high97.8Very high46 Ų4660.8 Ų60.824%0.23630%0.304CS..Hα-helixtrans-66.1-31.8178.1-168.3165.7000113L188 L211 M215 S297 K301 N302 E305L188-I299 HydrophobicContact CB-CD1 3.5Å; L188-I299 HydrophobicContact CD2-CD1 3.9Å; L188-I299 HydrophobicContact CG-CD1 4.38Å; L211-I299 HydrophobicContact CD1-CG2 3.61Å; L211-I299 HydrophobicContact CD2-CG2 4.04Å; L211-I299 HydrophobicContact CG-CG2 4.46Å; M215-I299 HydrophobicContact CE-CG1 4.45Å; M215-I299 HydrophobicContact SD-CG1 4.47Å; S297-I299 PolarHBondContact O-N 3.43Å; S297-I299 WeakPolarHBondContact OG-CG2 3.31Å; I299-K301 PolarHBondContact O-N 3.36Å; I299-N302 PolarHBondContact O-N 3.38Å; I299-E305 HydrophobicContact CG1-CB 4.19Å; I299-E305 HydrophobicContact CG1-CG 4.29Å
300V98.7Very high97.8Very high4 Ų459.9 Ų59.92%0.02430%0.297CS..Hα-helixtrans-65.5-27.6174.1177.30000111L211 A214 M215 A218 P296 S297 T298 R306L211-V300 HydrophobicContact CD1-CG2 3.57Å; A214-V300 HydrophobicContact CB-CG1 4.42Å; A214-V300 HydrophobicContact CB-CG2 3.9Å; M215-V300 HydrophobicContact CG-CB 4.48Å; M215-V300 HydrophobicContact CG-CG2 3.86Å; A218-V300 HydrophobicContact CB-CG1 3.81Å; P296-V300 HydrophobicContact CB-CB 3.83Å; P296-V300 HydrophobicContact CB-CG1 3.8Å; P296-V300 HydrophobicContact CB-CG2 4.21Å; P296-V300 HydrophobicContact CG-CB 4Å; P296-V300 HydrophobicContact CG-CG1 3.78Å; S297-V300 WeakPolarHBondContact O-CB 3.49Å; S297-V300 PolarHBondContact O-N 2.95Å; S297-V300 WeakPolarHBondContact OG-CG2 3.39Å; T298-V300 VanDerWaalsContact C-N 3.34Å; T298-V300 PolarHBondContact O-N 2.88Å; V300-R306 WeakPolarHBondContact O-CD 3.27Å; V300-R306 PolarHBondContact O-NH1 3.05Å
301K98.3Very high98Very high106 Ų10660.2 Ų60.246%0.46130%0.303SS..Hα-helixtrans-84.6-13.7177.9-59.9-171.3-75.8-173.50113.5E295 P296 T298 I299 K303 R306E295-K301 WeakPolarHBondContact OE2-CD 3.49Å; E295-K301 IonicContact OE2-NZ 3.47Å; E295-K301 PolarHBondContact OE2-NZ 3.06Å; P296-K301 HydrophobicContact CG-CD 4.49Å; P296-K301 HydrophobicContact CG-CG 3.98Å; T298-K301 WeakPolarHBondContact O-CB 3.11Å; T298-K301 PolarHBondContact O-N 3.02Å; T298-K301 VanDerWaalsContact O-N 3.1Å; I299-K301 PolarHBondContact O-N 3.36Å; K301-K303 PolarHBondContact O-N 3.4Å; K301-R306 VanDerWaalsContact C-NH1 3.29Å; K301-R306 PolarHBondContact O-NH1 3.42Å
302N98.4Very high98Very high67 Ų6761.3 Ų61.336%0.35831%0.308SS..  trans-77.3117.9177.4-175.3-38.4000109.6T298 I299 D304 E305 R306T298-N302 PolarHBondContact O-N 3.37Å; I299-N302 PolarHBondContact O-N 3.38Å; N302-D304 PolarHBondContact OD1-N 3.47Å; N302-E305 HydrophobicContact CB-CB 4.02Å; N302-E305 HydrophobicContact CB-CG 4.04Å; N302-E305 PolarHBondContact OD1-N 3.09Å; N302-R306 WeakPolarHBondContact O-CG 3.15Å; N302-R306 PolarHBondContact O-N 3.1Å; N302-R306 PolarHBondContact O-NH1 3.47Å
303K98.2Very high98.1Very high131 Ų13159.8 Ų59.857%0.5730%0.295SS*.Hα-helixtrans-69.9-39.1-177.8-76.5-176.5175.3-174.40112.9K301 R306 K307K301-K303 PolarHBondContact O-N 3.4Å; K303-R306 PolarHBondContact O-N 2.73Å; K303-K307 WeakPolarHBondContact O-CG 3.39Å; K303-K307 PolarHBondContact O-N 3.23Å
304D98.3Very high98.1Very high115 Ų11556.2 Ų56.262%0.61528%0.276SS*.Hα-helixtrans-70.9-39-177.1-60.6-35.5000110.9N302 R306 K307 W308N302-D304 PolarHBondContact OD1-N 3.47Å; D304-R306 VanDerWaalsContact C-N 3.34Å; D304-R306 PolarHBondContact O-N 3.32Å; D304-K307 PolarHBondContact O-N 2.89Å; D304-W308 WeakPolarHBondContact O-CB 3.39Å; D304-W308 PolarHBondContact O-N 2.92Å
305E98.4Very high98.1Very high47 Ų4757.4 Ų57.422%0.2228%0.283CS..Hα-helixtrans-63.6-39.2173.1-68.5-63.3170.200112.1L188 K190 M215 I299 N302 F309L188-E305 HydrophobicContact CD2-CB 4.2Å; L188-E305 WeakPolarHBondContact CD2-OE2 3.46Å; K190-E305 WeakPolarHBondContact CE-OE2 3.44Å; K190-E305 VanDerWaalsContact NZ-CD 3.26Å; K190-E305 IonicContact NZ-OE1 2.99Å; K190-E305 PolarHBondContact NZ-OE1 3.31Å; K190-E305 IonicContact NZ-OE2 2.71Å; K190-E305 PolarHBondContact NZ-OE2 3.31Å; M215-E305 HydrophobicContact CE-CB 4.21Å; I299-E305 HydrophobicContact CG1-CB 4.19Å; I299-E305 HydrophobicContact CG1-CG 4.29Å; N302-E305 HydrophobicContact CB-CB 4.02Å; N302-E305 HydrophobicContact CB-CG 4.04Å; N302-E305 PolarHBondContact OD1-N 3.09Å; E305-F309 WeakPolarHBondContact O-CB 3.41Å; E305-F309 PolarHBondContact O-N 3.17Å
306R98.3Very high98.1Very high14 Ų1453.5 Ų53.55%0.05327%0.266CS..Hα-helixtrans-64.8-43.7174.6-76.3-160.2-50.2-88.619.2113M215 E219 D222 V300 K301 N302 K303 D304 F309 W310M215-R306 HydrophobicContact CE-CG 4.04Å; E219-R306 HydrophobicContact CB-CB 4.11Å; E219-R306 HydrophobicContact CG-CB 4.44Å; E219-R306 VanDerWaalsContact OE2-CB 3.27Å; E219-R306 WeakPolarHBondContact OE2-CB 3.46Å; E219-R306 IonicContact OE2-NE 3.62Å; E219-R306 PolarHBondContact OE2-NE 3.32Å; D222-R306 IonicContact OD2-CZ 2.8Å; D222-R306 IonicContact OD2-NE 2.9Å; D222-R306 IonicContact OD2-NH2 3.77Å; D222-R306 PolarHBondContact OD2-NH2 3.32Å; V300-R306 WeakPolarHBondContact O-CD 3.27Å; V300-R306 PolarHBondContact O-NH1 3.05Å; K301-R306 VanDerWaalsContact C-NH1 3.29Å; K301-R306 PolarHBondContact O-NH1 3.42Å; N302-R306 WeakPolarHBondContact O-CG 3.15Å; N302-R306 PolarHBondContact O-N 3.1Å; N302-R306 PolarHBondContact O-NH1 3.47Å; K303-R306 PolarHBondContact O-N 2.73Å; D304-R306 VanDerWaalsContact C-N 3.34Å; D304-R306 PolarHBondContact O-N 3.32Å; R306-F309 PolarHBondContact O-N 3.37Å; R306-W310 WeakPolarHBondContact O-CB 3.21Å; R306-W310 PolarHBondContact O-N 2.89Å
307K98Very high98.1Very high113 Ų11352.7 Ų52.749%0.49126%0.261SS..Hα-helixtrans-64.1-40176.8-74.1175.8178.7179.60112.7K303 D304 S311K303-K307 WeakPolarHBondContact O-CG 3.39Å; K303-K307 PolarHBondContact O-N 3.23Å; D304-K307 PolarHBondContact O-N 2.89Å; K307-S311 WeakPolarHBondContact O-CB 3.17Å; K307-S311 PolarHBondContact O-N 2.98Å; K307-S311 PolarHBondContact O-OG 3.36Å
308W98Very high97.9Very high78 Ų7862.8 Ų62.830%0.29530%0.296SS..Hα-helixtrans-64.6-50.1174.3177.585000110.8L188 K190 L193 D304 W310 S311 K312L188-W308 HydrophobicContact CD1-CE3 4.46Å; L188-W308 HydrophobicContact CD1-CZ3 3.94Å; L188-W308 HydrophobicContact CD2-CE3 3.95Å; L188-W308 HydrophobicContact CD2-CZ3 4.02Å; L188-W308 HydrophobicContact CG-CE3 4.31Å; L188-W308 HydrophobicContact CG-CZ3 3.86Å; K190-W308 HydrophobicContact CB-CH2 3.94Å; K190-W308 HydrophobicContact CB-CZ2 4.12Å; K190-W308 HydrophobicContact CD-CD2 4.34Å; K190-W308 HydrophobicContact CD-CE3 4.29Å; K190-W308 HydrophobicContact CD-CH2 4.02Å; K190-W308 HydrophobicContact CD-CZ2 4.01Å; K190-W308 HydrophobicContact CD-CZ3 4.11Å; K190-W308 HydrophobicContact CG-CE3 4.41Å; K190-W308 HydrophobicContact CG-CH2 3.49Å; K190-W308 VanDerWaalsContact CG-CH2 3.49Å; K190-W308 HydrophobicContact CG-CZ2 3.88Å; K190-W308 HydrophobicContact CG-CZ3 3.75Å; L193-W308 HydrophobicContact CD2-CH2 3.76Å; L193-W308 HydrophobicContact CD2-CZ3 3.45Å; L193-W308 VanDerWaalsContact CD2-CZ3 3.45Å; L193-W308 HydrophobicContact CG-CH2 4.33Å; L193-W308 HydrophobicContact CG-CZ3 4.42Å; D304-W308 WeakPolarHBondContact O-CB 3.39Å; D304-W308 PolarHBondContact O-N 2.92Å; W308-W310 VanDerWaalsContact C-N 3.3Å; W308-W310 PolarHBondContact O-N 3.46Å; W308-S311 PolarHBondContact O-N 3.38Å; W308-K312 HydrophobicContact CH2-CB 4.33Å; W308-K312 HydrophobicContact CH2-CG 4.13Å; W308-K312 HydrophobicContact CZ2-CB 4.21Å; W308-K312 HydrophobicContact CZ2-CG 4.06Å; W308-K312 WeakPolarHBondContact O-CB 3.35Å; W308-K312 PolarHBondContact O-N 2.87Å
309F98.4Very high97.7Very high2 Ų258.8 Ų58.81%0.00927%0.27CS..Hα-helixtrans-54.4-46.1177164.4-97.9000111.9H153 L188 L193 A212 M215 H216 E305 R306 K312 T313H153-F309 AromaticContact CE1-CZ 3.28Å; H153-F309 WeakPolarHBondContact CE1-CZ 3.4Å; H153-F309 AromaticContact NE2-CE2 3.67Å; H153-F309 AromaticContact NE2-CZ 3.23Å; H153-F309 WeakPolarHBondContact NE2-CZ 3.27Å; L188-F309 HydrophobicContact CD1-CB 4.19Å; L188-F309 HydrophobicContact CD1-CD2 3.67Å; L188-F309 HydrophobicContact CD1-CG 4.34Å; L193-F309 HydrophobicContact CD1-CD2 4.1Å; L193-F309 HydrophobicContact CD1-CE2 4.35Å; L193-F309 HydrophobicContact CD2-CD2 3.78Å; L193-F309 HydrophobicContact CD2-CE2 4.39Å; A212-F309 HydrophobicContact CB-CE2 3.73Å; A212-F309 HydrophobicContact CB-CZ 3.79Å; A212-F309 WeakPolarHBondContact O-CZ 3.32Å; M215-F309 HydrophobicContact CB-CD1 3.95Å; M215-F309 HydrophobicContact CB-CE1 3.85Å; M215-F309 HydrophobicContact CB-CG 4.41Å; M215-F309 HydrophobicContact CB-CZ 4.2Å; M215-F309 HydrophobicContact CE-CB 3.83Å; M215-F309 HydrophobicContact CE-CG 4.11Å; H216-F309 HydrophobicContact CB-CE1 4.08Å; H216-F309 HydrophobicContact CB-CZ 4.46Å; E305-F309 WeakPolarHBondContact O-CB 3.41Å; E305-F309 PolarHBondContact O-N 3.17Å; R306-F309 PolarHBondContact O-N 3.37Å; F309-K312 PolarHBondContact O-N 2.86Å; F309-T313 WeakPolarHBondContact O-CB 3.35Å; F309-T313 PolarHBondContact O-N 3.26Å; F309-T313 PolarHBondContact O-OG1 3.08Å
310W98Very high97Very high0 Ų063.9 Ų63.90%029%0.293CS..Hα-helixtrans-60-55.7176.9179.7-80.7000112F157 E161 H216 E219 L220 R223 R306 W308 K312 T313 C314 N321 T323F157-W310 HydrophobicContact CE2-CD2 4.23Å; F157-W310 AromaticContact CE2-CE3 3.7Å; F157-W310 HydrophobicContact CE2-CE3 3.7Å; F157-W310 HydrophobicContact CE2-CH2 4.06Å; F157-W310 AromaticContact CE2-CZ3 3.62Å; F157-W310 HydrophobicContact CE2-CZ3 3.62Å; F157-W310 AromaticContact CZ-CD2 3.98Å; F157-W310 HydrophobicContact CZ-CD2 3.98Å; F157-W310 AromaticContact CZ-CE2 3.99Å; F157-W310 AromaticContact CZ-CE3 3.87Å; F157-W310 HydrophobicContact CZ-CE3 3.87Å; F157-W310 AromaticContact CZ-CH2 3.76Å; F157-W310 HydrophobicContact CZ-CH2 3.76Å; F157-W310 AromaticContact CZ-CZ2 3.86Å; F157-W310 HydrophobicContact CZ-CZ2 3.86Å; F157-W310 AromaticContact CZ-CZ3 3.78Å; F157-W310 HydrophobicContact CZ-CZ3 3.78Å; E161-W310 VanDerWaalsContact OE1-CH2 3.31Å; E161-W310 WeakPolarHBondContact OE1-CH2 3.38Å; H216-W310 AromaticContact CD2-CZ3 3.8Å; E219-W310 HydrophobicContact CB-CE3 4.17Å; E219-W310 HydrophobicContact CG-CB 3.99Å; E219-W310 HydrophobicContact CG-CD2 4.03Å; E219-W310 HydrophobicContact CG-CE3 3.6Å; E219-W310 HydrophobicContact CG-CG 4.2Å; E219-W310 HydrophobicContact CG-CZ3 4.47Å; L220-W310 HydrophobicContact CB-CZ3 4.08Å; L220-W310 HydrophobicContact CD1-CH2 3.68Å; L220-W310 HydrophobicContact CD1-CZ3 3.94Å; R223-W310 VanDerWaalsContact CZ-NE1 3.27Å; R306-W310 WeakPolarHBondContact O-CB 3.21Å; R306-W310 PolarHBondContact O-N 2.89Å; W308-W310 VanDerWaalsContact C-N 3.3Å; W308-W310 PolarHBondContact O-N 3.46Å; W310-K312 PolarHBondContact O-N 2.88Å; W310-T313 WeakPolarHBondContact O-CB 3.24Å; W310-T313 PolarHBondContact O-N 2.9Å; W310-T313 VanDerWaalsContact O-N 3.08Å; W310-C314 PolarHBondContact O-N 3Å; W310-N321 PolarHBondContact NE1-OD1 3.28Å; W310-T323 VanDerWaalsContact CZ2-OG1 3.27Å; W310-T323 WeakPolarHBondContact CZ2-OG1 3.47Å
311S97.5Very high95.6Very high53 Ų5367.6 Ų67.637%0.37131%0.313SS..Hα-helixtrans-57.6-41.3-179-57.90000111.3K307 W308 C314 E315K307-S311 WeakPolarHBondContact O-CB 3.17Å; K307-S311 PolarHBondContact O-N 2.98Å; K307-S311 PolarHBondContact O-OG 3.36Å; W308-S311 PolarHBondContact O-N 3.38Å; S311-C314 PolarHBondContact O-N 3.4Å; S311-E315 WeakPolarHBondContact O-CB 3.32Å; S311-E315 PolarHBondContact O-N 3.35Å
312K98.1Very high94.1Very high29 Ų2967.6 Ų67.613%0.12632%0.322CS..Hα-helixtrans-68.8-36.8178.2-171.654.2173179.40112.6P191 L193 W308 F309 W310 E315 L316P191-K312 WeakPolarHBondContact O-CE 3.32Å; P191-K312 WeakPolarHBondContact O-CG 3.36Å; L193-K312 HydrophobicContact CD1-CB 4.04Å; L193-K312 HydrophobicContact CD1-CG 3.91Å; L193-K312 HydrophobicContact CG-CB 4.49Å; L193-K312 HydrophobicContact CG-CG 4.01Å; W308-K312 HydrophobicContact CH2-CB 4.33Å; W308-K312 HydrophobicContact CH2-CG 4.13Å; W308-K312 HydrophobicContact CZ2-CB 4.21Å; W308-K312 HydrophobicContact CZ2-CG 4.06Å; W308-K312 WeakPolarHBondContact O-CB 3.35Å; W308-K312 PolarHBondContact O-N 2.87Å; F309-K312 PolarHBondContact O-N 2.86Å; W310-K312 PolarHBondContact O-N 2.88Å; K312-E315 VanDerWaalsContact CD-OE2 3.24Å; K312-E315 WeakPolarHBondContact CD-OE2 2.97Å; K312-E315 IonicContact NZ-OE1 2.68Å; K312-E315 PolarHBondContact NZ-OE1 2.99Å; K312-E315 IonicContact NZ-OE2 3.01Å; K312-E315 PolarHBondContact NZ-OE2 3.14Å; K312-E315 PolarHBondContact O-N 3.04Å; K312-L316 HydrophobicContact CD-CG 4.48Å; K312-L316 HydrophobicContact CG-CD1 4.37Å; K312-L316 VanDerWaalsContact O-CG 3.31Å; K312-L316 WeakPolarHBondContact O-CG 3.44Å; K312-L316 PolarHBondContact O-N 3.14Å
313T98.3Very high92Very high0 Ų066.4 Ų66.40%032%0.317CS..Hα-helixtrans-64.1-45.1174.7-57.20000111.1F154 F157 L193 F309 W310 E315 L316 L317F154-T313 HydrophobicContact CD1-CG2 4.13Å; F154-T313 HydrophobicContact CE1-CG2 4.38Å; F157-T313 HydrophobicContact CB-CG2 4.16Å; F157-T313 HydrophobicContact CD1-CG2 3.64Å; F157-T313 HydrophobicContact CD2-CG2 3.64Å; F157-T313 HydrophobicContact CE1-CG2 3.82Å; F157-T313 HydrophobicContact CE2-CG2 3.84Å; F157-T313 HydrophobicContact CG-CG2 3.54Å; F157-T313 HydrophobicContact CZ-CG2 3.93Å; L193-T313 VanDerWaalsContact CD1-OG1 3.31Å; L193-T313 WeakPolarHBondContact CD1-OG1 3.48Å; F309-T313 WeakPolarHBondContact O-CB 3.35Å; F309-T313 PolarHBondContact O-N 3.26Å; F309-T313 PolarHBondContact O-OG1 3.08Å; W310-T313 WeakPolarHBondContact O-CB 3.24Å; W310-T313 PolarHBondContact O-N 2.9Å; W310-T313 VanDerWaalsContact O-N 3.08Å; T313-E315 PolarHBondContact O-N 3.43Å; T313-L316 PolarHBondContact O-N 2.91Å; T313-L317 HydrophobicContact CG2-CD1 3.91Å; T313-L317 WeakPolarHBondContact O-CB 3.31Å; T313-L317 WeakPolarHBondContact O-CG 3.31Å; T313-L317 PolarHBondContact O-N 3.07Å
314C97.9Very high91.7Very high4 Ų463.2 Ų63.23%0.02730%0.304CS..Hα-helixtrans-61.5-41.6175.3-66.20000112.5W310 S311 L317 R318 I319W310-C314 PolarHBondContact O-N 3Å; S311-C314 PolarHBondContact O-N 3.4Å; C314-L317 CarbonylContact O-C 3.5Å; C314-L317 PolarHBondContact O-N 3Å; C314-R318 PolarHBondContact O-N 3.47Å; C314-I319 HydrophobicContact CB-CG1 3.97Å; C314-I319 PolarHBondContact O-N 2.71Å; C314-I319 VanDerWaalsContact O-N 3.09Å
315E97.3Very high91.4Very high121 Ų12160.4 Ų60.457%0.56529%0.288SS*.Hα-helixtrans-58.9-50.7175.7-173.3-156.6132.500111.5S311 K312 T313 L317 R318S311-E315 WeakPolarHBondContact O-CB 3.32Å; S311-E315 PolarHBondContact O-N 3.35Å; K312-E315 VanDerWaalsContact CD-OE2 3.24Å; K312-E315 WeakPolarHBondContact CD-OE2 2.97Å; K312-E315 IonicContact NZ-OE1 2.68Å; K312-E315 PolarHBondContact NZ-OE1 2.99Å; K312-E315 IonicContact NZ-OE2 3.01Å; K312-E315 PolarHBondContact NZ-OE2 3.14Å; K312-E315 PolarHBondContact O-N 3.04Å; T313-E315 PolarHBondContact O-N 3.43Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 2.99Å; E315-R318 PolarHBondContact O-N 3.27Å; E315-R318 VanDerWaalsContact O-N 3.14Å
316L97.6Very high91Very high41 Ų4161.2 Ų61.222%0.21529%0.292CS..Hα-helixtrans-62-36.2179.7-72.2173.6000112.3F145 F154 L193 K312 T313 R318F145-L316 HydrophobicContact CE1-CB 4.17Å; F154-L316 HydrophobicContact CE1-CD1 3.83Å; F154-L316 HydrophobicContact CZ-CD1 3.73Å; L193-L316 HydrophobicContact CB-CD1 4.34Å; L193-L316 HydrophobicContact CD1-CD1 4.13Å; L193-L316 HydrophobicContact CG-CD1 4.43Å; K312-L316 HydrophobicContact CD-CG 4.48Å; K312-L316 HydrophobicContact CG-CD1 4.37Å; K312-L316 VanDerWaalsContact O-CG 3.31Å; K312-L316 WeakPolarHBondContact O-CG 3.44Å; K312-L316 PolarHBondContact O-N 3.14Å; T313-L316 PolarHBondContact O-N 2.91Å; L316-R318 VanDerWaalsContact C-N 3.35Å
317L97.8Very high90.6Very high3 Ų363.9 Ų63.92%0.01631%0.306CS..Hα-helixtrans-85.2-6.1178.7-69.8176.2000114L107 F145 F154 F157 L158 T313 C314 E315 I319L107-L317 HydrophobicContact CD1-CD2 3.95Å; L107-L317 HydrophobicContact CD2-CD2 3.73Å; F145-L317 HydrophobicContact CE2-CD2 4.29Å; F145-L317 HydrophobicContact CZ-CD2 4.27Å; F154-L317 HydrophobicContact CB-CD2 4.11Å; F157-L317 HydrophobicContact CB-CD1 4.19Å; F157-L317 HydrophobicContact CD1-CD1 3.47Å; F157-L317 VanDerWaalsContact CD1-CD1 3.47Å; F157-L317 HydrophobicContact CE1-CD1 4.22Å; F157-L317 HydrophobicContact CG-CD1 4.16Å; L158-L317 HydrophobicContact CB-CD1 4.19Å; T313-L317 HydrophobicContact CG2-CD1 3.91Å; T313-L317 WeakPolarHBondContact O-CB 3.31Å; T313-L317 WeakPolarHBondContact O-CG 3.31Å; T313-L317 PolarHBondContact O-N 3.07Å; C314-L317 CarbonylContact O-C 3.5Å; C314-L317 PolarHBondContact O-N 3Å; E315-L317 VanDerWaalsContact C-N 3.28Å; E315-L317 PolarHBondContact O-N 2.99Å; L317-I319 VanDerWaalsContact C-N 3.3Å; L317-I319 HydrophobicContact CB-CG1 4.23Å; L317-I319 HydrophobicContact CB-CG2 4.33Å; L317-I319 PolarHBondContact O-N 2.95Å
318R95.1Very high90.1Very high227 Ų22760.9 Ų60.986%0.85729%0.294SS*.THydrogen-bonded Turntrans52.246.9-175.7-53.4179-176.7176.30.7112.3C314 E315 L316C314-R318 PolarHBondContact O-N 3.47Å; E315-R318 PolarHBondContact O-N 3.27Å; E315-R318 VanDerWaalsContact O-N 3.14Å; L316-R318 VanDerWaalsContact C-N 3.35Å
319I92.1Very high89.6Confident33 Ų3359.7 Ų59.717%0.16929%0.294CS..  trans-114.1150.4173.963.9172.2000110.5F157 L158 E161 C314 L317F157-I319 HydrophobicContact CD1-CD1 4.22Å; F157-I319 HydrophobicContact CE1-CD1 3.76Å; L158-I319 HydrophobicContact CD1-CG2 3.77Å; E161-I319 HydrophobicContact CB-CD1 4.12Å; E161-I319 HydrophobicContact CG-CD1 3.87Å; C314-I319 HydrophobicContact CB-CG1 3.97Å; C314-I319 PolarHBondContact O-N 2.71Å; C314-I319 VanDerWaalsContact O-N 3.09Å; L317-I319 VanDerWaalsContact C-N 3.3Å; L317-I319 HydrophobicContact CB-CG1 4.23Å; L317-I319 HydrophobicContact CB-CG2 4.33Å; L317-I319 PolarHBondContact O-N 2.95Å
320E83.4Confident88.9Confident153 Ų15363.9 Ų63.972%0.71532%0.315SS*.  trans-66.8144.8177.5-59.5-176.6166.400111T322E320-T322 VanDerWaalsContact C-N 3.26Å; E320-T322 HydrophobicContact CB-CG2 3.64Å; E320-T322 PolarHBondContact O-N 3.01Å; E320-T322 WeakPolarHBondContact OE2-CG2 3.17Å
321N71.2Confident88.2Confident83 Ų8368.8 Ų68.844%0.44434%0.339SS..  trans-84.570.4176.1-161.9-2.4000109.2R223 W310R223-N321 PolarHBondContact NH1-OD1 3.3Å; W310-N321 PolarHBondContact NE1-OD1 3.28Å
322T65.2Low87.5Confident105 Ų10570.1 Ų70.164%0.64434%0.336SS*.  trans-106.83.1-169.745.80000114.8E320E320-T322 VanDerWaalsContact C-N 3.26Å; E320-T322 HydrophobicContact CB-CG2 3.64Å; E320-T322 PolarHBondContact O-N 3.01Å; E320-T322 WeakPolarHBondContact OE2-CG2 3.17Å
323T55.6Low86.5Confident42 Ų4273.8 Ų73.826%0.25836%0.355SS..  trans-94.20-175.1-8.20000113.5E161 L164 L220 R223 L224 W310E161-T323 PolarHBondContact OE2-OG1 2.87Å; L164-T323 HydrophobicContact CD1-CG2 3.22Å; L220-T323 HydrophobicContact CD1-CG2 4.38Å; R223-T323 PolarHBondContact NH1-O 2.68Å; L224-T323 HydrophobicContact CD2-CG2 4.28Å; W310-T323 VanDerWaalsContact CZ2-OG1 3.27Å; W310-T323 WeakPolarHBondContact CZ2-OG1 3.47Å

Retrieved 323 of 323 residues in 545.1 ms (Link to these results)

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