A0A096NMD9_PAPAN Loading...

Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A096NMD9, Species PAPAN (Papio anubis, Olive baboon), Gene HACD3, Length 400 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
1M45.6Very low76Confident236 Ų23693 Ų93100%1.16347%0.467SS*.  01140-81.9179.8-96.100106
2E51.3Low77.4Confident197 Ų19787.1 Ų87.192%0.92144%0.435SS*.PPolyproline II helixtrans-70.4125.9172.7-86172.4147.900108.5Q4E2-Q4 PolarHBondContact O-N 3.14Å
3N62.3Low78.5Confident81 Ų8180.4 Ų80.443%0.43340%0.402SS..PPolyproline II helixtrans-68.2124.7172.5-70.4-3.3000108.5V92N3-V92 HydrophobicContact CB-CG2 4.1Å
4Q72.8Confident79.4Confident111 Ų11175.1 Ų75.152%0.51938%0.375SS..EExtended strand (participates in β ladder)trans-74.9131.5178-169.8173.13.200109.9E2 L6 V92E2-Q4 PolarHBondContact O-N 3.14Å; Q4-L6 HydrophobicContact CG-CD2 4.04Å; Q4-L6 HydrophobicContact CG-CG 4.45Å; Q4-V92 PolarHBondContact O-N 3.06Å
5V79.6Confident80.1Confident92 Ų9272.7 Ų72.756%0.55836%0.36SS*.EExtended strand (participates in β ladder)trans-88.6123.1173.5-176.40000109.2V92 E94V5-V92 CarbonylContact C-O 3.49Å; V5-V92 VanDerWaalsContact CA-O 3.3Å; V5-V92 WeakPolarHBondContact CA-O 3.5Å; V5-E94 HydrophobicContact CG1-CB 4.1Å
6L82.3Confident80.5Confident43 Ų4369.4 Ų69.423%0.22534%0.343CS..EExtended strand (participates in β ladder)trans-119.7146.8-178.6-62.9178.6000111.1Q4 N91 V92 Y93 E94Q4-L6 HydrophobicContact CG-CD2 4.04Å; Q4-L6 HydrophobicContact CG-CG 4.45Å; L6-N91 HydrophobicContact CD1-CB 3.89Å; L6-N91 WeakPolarHBondContact CD1-ND2 3.33Å; L6-N91 HydrophobicContact CG-CB 4.5Å; L6-V92 PolarHBondContact N-O 3.43Å; L6-Y93 HydrophobicContact CB-CD1 4.02Å; L6-Y93 HydrophobicContact CB-CE1 4.07Å; L6-Y93 HydrophobicContact CD1-CE1 4.23Å; L6-Y93 VanDerWaalsContact O-CA 3.32Å; L6-Y93 WeakPolarHBondContact O-CA 3.32Å; L6-E94 PolarHBondContact O-N 3.37Å; L6-E94 VanDerWaalsContact O-N 3.09Å
7T83.9Confident80.9Confident98 Ų9873.3 Ų73.360%0.60135%0.353SS*.  trans-94.5115.6171.944.30000109.4
8P86.8Confident81.5Confident3 Ų372.7 Ų72.72%0.01935%0.35CS..  trans-75158.5179.831.5-35.1000111.7V23 E24 L25 F80 Y93 F95P8-V23 HydrophobicContact CB-CG1 3.75Å; P8-V23 HydrophobicContact CG-CG1 3.7Å; P8-E24 WeakPolarHBondContact CB-O 3.45Å; P8-L25 HydrophobicContact CB-CD2 3.82Å; P8-L25 HydrophobicContact CG-CD2 4.46Å; P8-F80 HydrophobicContact CG-CE1 4.5Å; P8-Y93 HydrophobicContact CB-CD1 3.9Å; P8-Y93 HydrophobicContact CG-CD1 4.4Å; P8-F95 HydrophobicContact CG-CD1 3.65Å; P8-F95 HydrophobicContact CG-CE1 4.14Å
9H88.3Confident82Confident91 Ų9168.9 Ų68.942%0.42133%0.332SS..EExtended strand (participates in β ladder)trans-75.8133169.6-77.4-71.1000110.3Y11 E24H9-Y11 HydrophobicContact CB-CE2 4.35Å; H9-E24 PolarHBondContact O-N 3.45Å
10V90.8Very high82.5Confident1 Ų167.5 Ų67.51%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-122.4121.5-177.8-175.40000109.2L21 R22 V23 F95 F140 L141 A142V10-L21 HydrophobicContact CG1-CB 4.42Å; V10-L21 HydrophobicContact CG1-CD2 4.36Å; V10-R22 WeakPolarHBondContact CA-O 3.11Å; V10-V23 HydrophobicContact CG1-CG2 4.35Å; V10-V23 HydrophobicContact CG2-CG1 4.34Å; V10-V23 HydrophobicContact CG2-CG2 4.22Å; V10-F95 HydrophobicContact CG2-CD1 4.09Å; V10-F95 HydrophobicContact CG2-CE1 3.73Å; V10-F95 HydrophobicContact CG2-CE2 4.26Å; V10-F95 HydrophobicContact CG2-CG 4.48Å; V10-F95 HydrophobicContact CG2-CZ 3.84Å; V10-F140 HydrophobicContact CB-CD2 4.32Å; V10-F140 HydrophobicContact CG2-CD2 3.99Å; V10-F140 HydrophobicContact CG2-CE2 4.32Å; V10-F140 PolarHBondContact N-O 3.45Å; V10-L141 HydrophobicContact CB-CD1 4.17Å; V10-L141 HydrophobicContact CG1-CD1 4.06Å; V10-L141 CarbonylContact O-C 3.48Å; V10-L141 WeakPolarHBondContact O-CA 3.4Å; V10-A142 PolarHBondContact O-N 2.97Å
11Y92.2Very high82.9Confident70 Ų7064.3 Ų64.328%0.27531%0.308SS..EExtended strand (participates in β ladder)trans-99142.4173.5-58.2-90.4000110.2H9 L21 R22 E24 A142H9-Y11 HydrophobicContact CB-CE2 4.35Å; Y11-L21 CarbonylContact O-C 3.55Å; Y11-L21 WeakPolarHBondContact O-CA 3.43Å; Y11-R22 PolarHBondContact N-O 3.39Å; Y11-R22 PolarHBondContact O-N 3.14Å; Y11-E24 HydrophobicContact CE2-CB 4.18Å; Y11-A142 CarbonylContact C-O 3.58Å; Y11-A142 WeakPolarHBondContact CA-O 3.49Å; Y11-A142 HydrophobicContact CD1-CB 3.72Å; Y11-A142 HydrophobicContact CE1-CB 3.82Å
12W92.7Very high85.1Confident22 Ų2254.8 Ų54.88%0.08326%0.259CS..EExtended strand (participates in β ladder)trans-135.4146.4179.979.5-81.7000113.7Q14 Y20 L21 L131 L141 A142 D144 W148W12-Q14 HydrophobicContact CZ3-CB 4.05Å; W12-Q14 HydrophobicContact CZ3-CG 4.13Å; W12-Y20 CarbonylContact C-O 3.56Å; W12-Y20 WeakPolarHBondContact CA-O 3.17Å; W12-L21 HydrophobicContact CB-CD2 3.58Å; W12-L131 HydrophobicContact CB-CD2 3.82Å; W12-L131 HydrophobicContact CD2-CB 3.93Å; W12-L131 HydrophobicContact CD2-CD1 4.36Å; W12-L131 HydrophobicContact CD2-CD2 3.86Å; W12-L131 HydrophobicContact CD2-CG 4.28Å; W12-L131 HydrophobicContact CE3-CB 4.04Å; W12-L131 HydrophobicContact CE3-CD1 3.94Å; W12-L131 HydrophobicContact CE3-CD2 4.28Å; W12-L131 HydrophobicContact CE3-CG 4.32Å; W12-L131 HydrophobicContact CG-CD2 3.64Å; W12-L131 HydrophobicContact CH2-CB 4.18Å; W12-L131 HydrophobicContact CZ2-CB 4.07Å; W12-L131 HydrophobicContact CZ3-CB 4.16Å; W12-L131 HydrophobicContact CZ3-CD1 4.36Å; W12-L141 HydrophobicContact CB-CD1 4.38Å; W12-L141 HydrophobicContact CG-CD1 4.29Å; W12-A142 PolarHBondContact N-O 3.16Å; W12-D144 PolarHBondContact O-N 2.6Å; W12-W148 HydrophobicContact CH2-CH2 4.21Å; W12-W148 HydrophobicContact CH2-CZ3 4.3Å; W12-W148 HydrophobicContact CZ2-CH2 4.15Å; W12-W148 HydrophobicContact CZ2-CZ3 4.13Å
13A92.4Very high86.9Confident0 Ų045.4 Ų45.40%022%0.215CC..EExtended strand (participates in β ladder)trans-140.2161.9169.100000109.4Y20 D144 R147A13-Y20 PolarHBondContact N-O 3.38Å; A13-Y20 PolarHBondContact O-N 3.07Å; A13-D144 HydrophobicContact CB-CB 4.16Å; A13-R147 HydrophobicContact CB-CB 3.78Å
14Q91.3Very high87.9Confident6 Ų644.3 Ų44.33%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-129.9160.7179.267.9175-27.100113.4W12 L19 W127 W128W12-Q14 HydrophobicContact CZ3-CB 4.05Å; W12-Q14 HydrophobicContact CZ3-CG 4.13Å; Q14-L19 HydrophobicContact CB-CD2 3.72Å; Q14-W127 HydrophobicContact CG-CE3 4.28Å; Q14-W127 HydrophobicContact CG-CH2 3.77Å; Q14-W127 HydrophobicContact CG-CZ2 4.06Å; Q14-W127 HydrophobicContact CG-CZ3 3.89Å; Q14-W128 PolarHBondContact NE2-O 3.37Å
15R90.1Very high88.3Confident39 Ų3939.1 Ų39.115%0.14718%0.183CC..  trans-129.4178.7161.2-62.9-67.1-177-88.5-0.2108R17 E18 Y20 K122 R147 L149 E157R15-R17 VanDerWaalsContact C-N 3.26Å; R15-R17 PolarHBondContact O-N 3.42Å; R15-E18 PolarHBondContact N-O 3.49Å; R15-Y20 HydrophobicContact CG-CE2 3.74Å; R15-K122 PolarHBondContact O-NZ 3.08Å; R15-R147 PolarHBondContact NH1-O 3.01Å; R15-R147 PolarHBondContact NH2-O 3.22Å; R15-L149 VanDerWaalsContact CZ-CG 3.5Å; R15-E157 IonicContact NE-OE2 2.89Å; R15-E157 PolarHBondContact NE-OE2 3.45Å
16H86.1Confident87.5Confident20 Ų2038.1 Ų38.19%0.09318%0.18CC..SBendtrans-56.1-38177.3-74.188.3000113.5S125 Q126 A154 E155 L158H16-S125 CarbonylContact O-C 3.39Å; H16-S125 VanDerWaalsContact O-CA 3.28Å; H16-S125 WeakPolarHBondContact O-CA 3.37Å; H16-Q126 PolarHBondContact O-N 3.49Å; H16-A154 PolarHBondContact ND1-O 3.2Å; H16-E155 WeakPolarHBondContact CE1-CG 3.46Å; H16-E155 PolarHBondContact CE1-N 3.24Å; H16-E155 VanDerWaalsContact CE1-N 3.32Å; H16-E155 WeakPolarHBondContact NE2-CG 3.43Å; H16-L158 HydrophobicContact CB-CD1 4.06Å
17R87.3Confident86.4Confident136 Ų13638.7 Ų38.751%0.51318%0.183SC..SBendtrans-113.7-14.1-175.7-64.5-174.4-177.3168.58.8114.9R15 K122 S125 E162R15-R17 VanDerWaalsContact C-N 3.26Å; R15-R17 PolarHBondContact O-N 3.42Å; R17-K122 PolarHBondContact O-N 3.28Å; R17-S125 WeakPolarHBondContact CG-OG 3.49Å; R17-E162 IonicContact NH2-OE1 2.75Å; R17-E162 PolarHBondContact NH2-OE1 3.08Å
18E90.9Very high85.2Confident63 Ų6334.4 Ų34.429%0.29416%0.157SC..EExtended strand (participates in β ladder)trans-132.5148.8-169-62.3-177.117000111.1R15 Y20 V120R15-E18 PolarHBondContact N-O 3.49Å; E18-Y20 PolarHBondContact OE2-OH 3.33Å; E18-V120 CarbonylContact C-O 3.5Å; E18-V120 WeakPolarHBondContact CA-O 3.11Å
19L90.9Very high83.6Confident0 Ų040 Ų400%018%0.183CC..EExtended strand (participates in β ladder)trans-117.3135.5169.8-62.8168.3000108Q14 F99 V103 T119 V120 K122 W128 L131Q14-L19 HydrophobicContact CB-CD2 3.72Å; L19-F99 HydrophobicContact CD1-CD1 4.21Å; L19-F99 HydrophobicContact CD1-CE1 4.24Å; L19-V103 HydrophobicContact CD1-CG1 4.2Å; L19-T119 WeakPolarHBondContact O-CA 3.28Å; L19-V120 HydrophobicContact CB-CB 4.27Å; L19-V120 PolarHBondContact N-O 3.5Å; L19-V120 PolarHBondContact O-N 3.42Å; L19-K122 HydrophobicContact CD1-CG 4.32Å; L19-K122 HydrophobicContact CG-CG 4.12Å; L19-W128 HydrophobicContact CD1-CE3 4.01Å; L19-W128 HydrophobicContact CD1-CH2 3.58Å; L19-W128 HydrophobicContact CD1-CZ2 4.33Å; L19-W128 HydrophobicContact CD1-CZ3 3.39Å; L19-W128 HydrophobicContact CD2-CE3 4.09Å; L19-W128 HydrophobicContact CD2-CZ3 4.33Å; L19-W128 HydrophobicContact CG-CZ3 4.45Å; L19-L131 HydrophobicContact CD1-CD1 4.09Å; L19-L131 HydrophobicContact CD2-CD1 4.05Å
20Y92Very high81.6Confident40 Ų4036.5 Ų36.516%0.15717%0.169CC..EExtended strand (participates in β ladder)trans-111.1127.4174.3-57.3-66.8000108.7W12 A13 R15 E18 T119W12-Y20 CarbonylContact C-O 3.56Å; W12-Y20 WeakPolarHBondContact CA-O 3.17Å; A13-Y20 PolarHBondContact N-O 3.38Å; A13-Y20 PolarHBondContact O-N 3.07Å; R15-Y20 HydrophobicContact CG-CE2 3.74Å; E18-Y20 PolarHBondContact OE2-OH 3.33Å; Y20-T119 HydrophobicContact CD1-CG2 3.87Å; Y20-T119 HydrophobicContact CE1-CG2 3.63Å
21L91.8Very high79.4Confident2 Ų240.8 Ų40.81%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-121.3125.2173.8-56.6168.7000108.2V10 Y11 W12 L78 L97 F99 N117 I118 V120 L131V10-L21 HydrophobicContact CG1-CB 4.42Å; V10-L21 HydrophobicContact CG1-CD2 4.36Å; Y11-L21 CarbonylContact O-C 3.55Å; Y11-L21 WeakPolarHBondContact O-CA 3.43Å; W12-L21 HydrophobicContact CB-CD2 3.58Å; L21-L78 HydrophobicContact CD1-CD2 3.42Å; L21-L78 VanDerWaalsContact CD1-CD2 3.42Å; L21-L97 HydrophobicContact CD1-CD2 4.27Å; L21-L97 HydrophobicContact CD2-CD2 4.27Å; L21-F99 HydrophobicContact CD1-CE1 4.23Å; L21-F99 HydrophobicContact CD1-CZ 4.23Å; L21-N117 CarbonylContact O-C 3.57Å; L21-I118 HydrophobicContact CB-CB 4.19Å; L21-I118 PolarHBondContact N-O 3.34Å; L21-I118 PolarHBondContact O-N 3.46Å; L21-V120 HydrophobicContact CD1-CG2 4.43Å; L21-L131 HydrophobicContact CD2-CD2 3.81Å
22R90.7Very high77.1Confident35 Ų3541.4 Ų41.413%0.13220%0.203CC..EExtended strand (participates in β ladder)trans-112.3107.6175.2177.1-165.1-51-163.67.2107.7V10 Y11 N117 D144 D146V10-R22 WeakPolarHBondContact CA-O 3.11Å; Y11-R22 PolarHBondContact N-O 3.39Å; Y11-R22 PolarHBondContact O-N 3.14Å; R22-N117 WeakPolarHBondContact CG-OD1 3.19Å; R22-D144 IonicContact CZ-OD1 3.05Å; R22-D144 IonicContact CZ-OD2 2.7Å; R22-D144 VanDerWaalsContact CZ-OD2 3.28Å; R22-D144 IonicContact NE-OD1 3.74Å; R22-D144 IonicContact NE-OD2 3.57Å; R22-D144 PolarHBondContact NE-OD2 3.38Å; R22-D144 VanDerWaalsContact NH2-CG 3.27Å; R22-D144 IonicContact NH2-OD1 3.28Å; R22-D144 PolarHBondContact NH2-OD1 3.07Å; R22-D144 IonicContact NH2-OD2 2.73Å; R22-D144 PolarHBondContact NH2-OD2 3.49Å; R22-D146 IonicContact CZ-OD2 3.48Å; R22-D146 IonicContact NH1-OD2 3.96Å; R22-D146 PolarHBondContact NH1-OD2 2.94Å; R22-D146 IonicContact NH2-OD2 2.85Å; R22-D146 PolarHBondContact NH2-OD2 3.49Å; R22-D146 VanDerWaalsContact NH2-OD2 3.09Å
23V89.3Confident74.6Confident0 Ų046 Ų460%023%0.229CC..EExtended strand (participates in β ladder)trans-90.7119.3176.9-173.90000108.1P8 V10 L25 F80 F95 Q115 V116 I118P8-V23 HydrophobicContact CB-CG1 3.75Å; P8-V23 HydrophobicContact CG-CG1 3.7Å; V10-V23 HydrophobicContact CG1-CG2 4.35Å; V10-V23 HydrophobicContact CG2-CG1 4.34Å; V10-V23 HydrophobicContact CG2-CG2 4.22Å; V23-L25 HydrophobicContact CG1-CD2 4.05Å; V23-F80 HydrophobicContact CB-CZ 4.4Å; V23-F80 HydrophobicContact CG1-CE1 3.98Å; V23-F80 HydrophobicContact CG1-CZ 3.97Å; V23-F80 HydrophobicContact CG2-CE2 4.33Å; V23-F95 HydrophobicContact CG1-CE1 4.03Å; V23-F95 HydrophobicContact CG2-CE1 3.76Å; V23-F95 HydrophobicContact CG2-CZ 3.87Å; V23-Q115 CarbonylContact O-C 3.48Å; V23-Q115 WeakPolarHBondContact O-CA 3.45Å; V23-V116 HydrophobicContact CB-CB 4.27Å; V23-V116 PolarHBondContact N-O 3.47Å; V23-V116 PolarHBondContact O-N 3.03Å; V23-I118 HydrophobicContact CG2-CD1 3.99Å
24E84.8Confident72.1Confident59 Ų5951.1 Ų51.128%0.27626%0.255SS..EExtended strand (participates in β ladder)trans-99.2129.7176.7-173.8158.2-131.100110.9P8 H9 Y11 Q115P8-E24 WeakPolarHBondContact CB-O 3.45Å; H9-E24 PolarHBondContact O-N 3.45Å; Y11-E24 HydrophobicContact CE2-CB 4.18Å; E24-Q115 HydrophobicContact CB-CG 4.37Å; E24-Q115 HydrophobicContact CG-CG 4.23Å; E24-Q115 PolarHBondContact OE1-NE2 2.61Å
25L80.3Confident69.6Low1 Ų156.5 Ų56.51%0.00528%0.284CS..  trans-11090.7-177.1-56.5176.5000108.4P8 V23 D27 V28 L66 Y93 R114 V116P8-L25 HydrophobicContact CB-CD2 3.82Å; P8-L25 HydrophobicContact CG-CD2 4.46Å; V23-L25 HydrophobicContact CG1-CD2 4.05Å; L25-D27 PolarHBondContact O-N 3.24Å; L25-V28 HydrophobicContact CB-CG2 3.76Å; L25-V28 HydrophobicContact CD1-CG2 4.38Å; L25-V28 PolarHBondContact O-N 3.44Å; L25-L66 HydrophobicContact CD1-CD1 3.29Å; L25-L66 HydrophobicContact CD1-CD2 3.53Å; L25-L66 HydrophobicContact CD1-CG 4.08Å; L25-Y93 HydrophobicContact CD2-CD1 3.85Å; L25-Y93 HydrophobicContact CD2-CD2 3.95Å; L25-Y93 HydrophobicContact CD2-CE1 4.25Å; L25-Y93 HydrophobicContact CD2-CE2 4.36Å; L25-Y93 HydrophobicContact CD2-CG 3.65Å; L25-R114 PolarHBondContact N-O 3.1Å; L25-R114 VanDerWaalsContact N-O 3.11Å; L25-V116 HydrophobicContact CD1-CG2 4.33Å
26S62.5Low67Low71 Ų7164 Ų6450%0.49731%0.312SS..THydrogen-bonded Turntrans-57.6-31.3-168.7-47.40000114.4
27D60Low64.6Low55 Ų5569.8 Ų69.829%0.29434%0.343SS..THydrogen-bonded Turntrans-96-3.2-172.6-53.9-33.4000114.6L25 Q29 G86 N91 Y93L25-D27 PolarHBondContact O-N 3.24Å; D27-Q29 PolarHBondContact O-N 3.15Å; D27-Q29 VanDerWaalsContact O-N 3.14Å; D27-G86 WeakPolarHBondContact O-CA 3.38Å; D27-N91 PolarHBondContact OD2-ND2 3.37Å; D27-Y93 WeakPolarHBondContact CB-OH 3.27Å; D27-Y93 PolarHBondContact N-OH 3.42Å; D27-Y93 PolarHBondContact OD2-OH 2.87Å
28V58Low62.3Low9 Ų970.9 Ų70.96%0.05535%0.354CS..BIsolated β-bridgetrans-73111.9-177.6-176.90000110.1L25 S30 L66L25-V28 HydrophobicContact CB-CG2 3.76Å; L25-V28 HydrophobicContact CD1-CG2 4.38Å; L25-V28 PolarHBondContact O-N 3.44Å; V28-S30 PolarHBondContact O-N 3.3Å; V28-L66 HydrophobicContact CG2-CD1 4.17Å
29Q53.5Low59.9Low119 Ų11972.7 Ų72.756%0.55637%0.372SS*.  trans-64.2122.2174-72.6-170-5.500109.4D27 L31D27-Q29 PolarHBondContact O-N 3.15Å; D27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-L31 PolarHBondContact O-N 3.09Å
30S45.3Very low57.5Low19 Ų1977.1 Ų77.113%0.13340%0.403CS..  trans-69.5128.2171.8175.80000109V28 T32 L33 Q113V28-S30 PolarHBondContact O-N 3.3Å; S30-T32 PolarHBondContact O-N 3.49Å; S30-T32 PolarHBondContact OG-N 3.44Å; S30-T32 PolarHBondContact OG-OG1 3.22Å; S30-L33 PolarHBondContact O-N 3.42Å; S30-Q113 PolarHBondContact OG-OE1 3.33Å
31L46.5Very low54.8Low90 Ų9082.4 Ų82.447%0.47143%0.434SS..Hα-helixtrans-52-14.2172.7-103.3120.6000113.7Q29 L33Q29-L31 PolarHBondContact O-N 3.09Å; L31-L33 VanDerWaalsContact C-N 3.29Å; L31-L33 PolarHBondContact O-N 2.8Å
32T42.5Very low52.5Low83 Ų8388.7 Ų88.751%0.50947%0.472SS..Hα-helixtrans-70.2-20.9177-38.10000113.6S30S30-T32 PolarHBondContact O-N 3.49Å; S30-T32 PolarHBondContact OG-N 3.44Å; S30-T32 PolarHBondContact OG-OG1 3.22Å
33L39.7Very low49.8Very low120 Ų12093.6 Ų93.663%0.62850%0.499SS*.Hα-helixtrans-85.4-29.6177.7-91.8162.9000113.7S30 L31 R36 L37S30-L33 PolarHBondContact O-N 3.42Å; L31-L33 VanDerWaalsContact C-N 3.29Å; L31-L33 PolarHBondContact O-N 2.8Å; L33-R36 PolarHBondContact O-N 2.77Å; L33-L37 PolarHBondContact O-N 3.16Å
34L40.1Very low47.5Very low107 Ų107102 Ų10256%0.5654%0.543SS*.Hα-helixtrans-66.1-40.7174.3-96.3160.4000111.4R36 L37 E38L34-R36 PolarHBondContact O-N 3.01Å; L34-L37 PolarHBondContact O-N 3.3Å; L34-E38 PolarHBondContact O-N 3.43Å
35L39.3Very low45Very low119 Ų119103 Ų10362%0.62356%0.56SS**Hα-helixtrans-68.1-15.7175.4-81.7163.6000114.4C39L35-C39 PolarHBondContact O-SG 3.48Å; L35-C39 VanDerWaalsContact O-SG 3.4Å
36R35.7Very low42.8Very low196 Ų196110.2 Ų110.274%0.7459%0.594SS**Hα-helixtrans-92.2-26.4177.3-85.3-154.1177.3-163.11.5114.2L33 L34 S40L33-R36 PolarHBondContact O-N 2.77Å; L34-R36 PolarHBondContact O-N 3.01Å; R36-S40 PolarHBondContact O-OG 3.43Å
37L36.2Very low41.4Very low142 Ų142113.2 Ų113.274%0.74361%0.614SS**Hα-helixtrans-81-30.7177.2-92.1151.3000112.5L33 L34 C39L33-L37 PolarHBondContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 3.3Å; L37-C39 VanDerWaalsContact C-N 3.28Å; L37-C39 PolarHBondContact O-N 3Å
38E38.1Very low40.3Very low159 Ų159116.4 Ų116.474%0.74364%0.64SS**THydrogen-bonded Turntrans-75.1-14.5172.7-72-174.5161.200113.7L34L34-E38 PolarHBondContact O-N 3.43Å
39C39.7Very low39.2Very low101 Ų101123 Ų12368%0.68267%0.674SS**THydrogen-bonded Turntrans-100.416.1-179.4-72.40000114.7L35 L37L35-C39 PolarHBondContact O-SG 3.48Å; L35-C39 VanDerWaalsContact O-SG 3.4Å; L37-C39 VanDerWaalsContact C-N 3.28Å; L37-C39 PolarHBondContact O-N 3Å
40S40.7Very low38.2Very low93 Ų93126.3 Ų126.365%0.6569%0.69SS**SBendtrans-104.19.6178.3-67.10000115.4R36R36-S40 PolarHBondContact O-OG 3.43Å
41N36Very low37.8Very low150 Ų150133.6 Ų133.680%0.80273%0.726SS**SBendtrans-121.9105.3163.5-83.1-24.9000110.4I43N41-I43 PolarHBondContact O-N 2.77Å
42V42.6Very low37.2Very low134 Ų134137.3 Ų137.381%0.81275%0.746SS**SBendtrans10.1100.8148-174.60000115.2
43I36Very low36.9Very low138 Ų138136.9 Ų136.971%0.70876%0.757SS**  trans167.685.6130.9-75.6148.5000106.9N41 A45N41-I43 PolarHBondContact O-N 2.77Å; I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 3.25Å
44I39.7Very low36.4Very low178 Ų178139.3 Ų139.391%0.91377%0.77SS**  trans-9081.8157-61.2176.3000105.6
45A33Very low36Very low78 Ų78139.7 Ų139.765%0.64578%0.782SS**SBendtrans-177.946.1161.400000112.1I43I43-A45 VanDerWaalsContact C-N 3.34Å; I43-A45 PolarHBondContact O-N 3.25Å
46H34.6Very low35.6Very low154 Ų154138.8 Ų138.871%0.71379%0.786SS**SBendtrans-161.322.2164.8-126.8-82.5000117.7
47C33.2Very low35.2Very low134 Ų134135.4 Ų135.491%0.90579%0.789SS**SBendtrans-116.556.4178.2-103.10000112.7
48S35.7Very low34.8Very low121 Ų121134.7 Ų134.785%0.84679%0.793SS**SBendtrans-138.414.7159.9-69.70000112.4
49L34.6Very low34.3Very low147 Ų147130.2 Ų130.277%0.7779%0.789SS**SBendtrans-142.947.2-176.3-139.689.1000112.9
50E33.7Very low33.9Very low190 Ų190131.1 Ų131.189%0.88880%0.797SS**  trans-151.353.5164.7-118.1173.7-164.400109.5L52E50-L52 VanDerWaalsContact C-N 3.28Å
51L36.2Very low33.3Very low171 Ų171131.4 Ų131.490%0.89581%0.805SS**  trans-96.830.2172.8-129.4157.3000111.2
52L33.5Very low33Very low169 Ų169129 Ų12989%0.88580%0.799SS**SBendtrans-144.4101.8176.7-78.6175.7000110.3E50E50-L52 VanDerWaalsContact C-N 3.28Å
53G36.3Very low32.6Very low73 Ų73130.4 Ų130.475%0.75380%0.802SS**  trans117.978159.800000114.7
54L29.7Very low33.1Very low172 Ų172127.3 Ų127.390%0.90179%0.789SS**  trans-162.3112.3140.9-102.1155000108.9S56L54-S56 PolarHBondContact O-N 3.07Å
55S31.8Very low33.7Very low115 Ų115121 Ų12180%0.80477%0.768SS**  trans-80.3102.9175.948.70000110.4
56S30Very low34.7Very low100 Ų100118.3 Ų118.370%0.69974%0.742SS**  trans156141.5148.946.60000110.1L54 P58L54-S56 PolarHBondContact O-N 3.07Å; S56-P58 WeakPolarHBondContact O-CD 3.39Å
57P27.1Very low36.1Very low124 Ų124116.7 Ų116.781%0.80574%0.735SS**PPolyproline II helixtrans-82.6122.6177.631.3-27.7000109.7
58P29.5Very low37.7Very low128 Ų128117 Ų11783%0.83173%0.728SS**PPolyproline II helixtrans-77139161.622.8-12.3000108.9S56S56-P58 WeakPolarHBondContact O-CD 3.39Å
59G26.2Very low39.8Very low65 Ų65111.6 Ų111.667%0.6769%0.69SS**PPolyproline II helixtrans-62.6147.4-166.100000115.1A61G59-A61 PolarHBondContact O-N 3.28Å
60S31.5Very low42.1Very low119 Ų119107.6 Ų107.683%0.83268%0.678SS**  trans28.278.4147.360.30000116.7S62S60-S62 PolarHBondContact O-N 3.42Å
61A28.6Very low44.6Very low99 Ų99100 Ų10082%0.81864%0.643SS**  trans-73.199.5152.600000107.8G59 L63G59-A61 PolarHBondContact O-N 3.28Å; A61-L63 PolarHBondContact O-N 3.27Å
62S29.8Very low46.9Very low99 Ų9994.6 Ų94.669%0.69262%0.62SS**  trans-61.6116.517233.50000109.5S60 V64S60-S62 PolarHBondContact O-N 3.42Å; S62-V64 WeakPolarHBondContact O-CG2 3.5Å; S62-V64 PolarHBondContact O-N 3.17Å
63L35Very low49.4Very low164 Ų16487.4 Ų87.486%0.85958%0.582SS**  trans-61.794167.2-86.6139.6000108.9A61 G65A61-L63 PolarHBondContact O-N 3.27Å; L63-G65 VanDerWaalsContact C-N 3.34Å; L63-G65 PolarHBondContact O-N 3.03Å
64V45.5Very low51.6Low74 Ų7487.4 Ų87.445%0.44857%0.567SS.*  trans-82.883.8179.4-175.60000109.5S62 H85S62-V64 WeakPolarHBondContact O-CG2 3.5Å; S62-V64 PolarHBondContact O-N 3.17Å; V64-H85 HydrophobicContact CG1-CB 3.26Å
65G51.6Low54Low45 Ų4588.3 Ų88.346%0.46457%0.567SS.*SBendtrans-121.6162.2164.700000110.1L63 Q67L63-G65 VanDerWaalsContact C-N 3.34Å; L63-G65 PolarHBondContact O-N 3.03Å; G65-Q67 PolarHBondContact O-N 3.46Å
66L55.8Low56.5Low21 Ų2184.2 Ų84.211%0.1154%0.536CS..PPolyproline II helixtrans-46.4118-179.7-170.171.2000111.6L25 V28 Q83 L111 V116L25-L66 HydrophobicContact CD1-CD1 3.29Å; L25-L66 HydrophobicContact CD1-CD2 3.53Å; L25-L66 HydrophobicContact CD1-CG 4.08Å; V28-L66 HydrophobicContact CG2-CD1 4.17Å; L66-Q83 WeakPolarHBondContact CD1-O 3.21Å; L66-L111 HydrophobicContact CD2-CD1 3.66Å; L66-L111 HydrophobicContact CD2-CD2 4.36Å; L66-L111 HydrophobicContact CD2-CG 4.06Å; L66-L111 HydrophobicContact CG-CD1 4.45Å; L66-V116 HydrophobicContact CD2-CG2 3.92Å
67Q62.2Low59.3Low121 Ų12180.9 Ų80.957%0.56551%0.512SS*.PPolyproline II helixtrans-68.8148.6175.5-92.9178.5-0.600110.3G65 P69 Q83G65-Q67 PolarHBondContact O-N 3.46Å; Q67-P69 VanDerWaalsContact O-N 3.13Å; Q67-Q83 PolarHBondContact N-O 2.84Å
68N68.5Low62.3Low141 Ų14175 Ų7575%0.75447%0.473SS*.PPolyproline II helixtrans-47.1118.8-177-74.2-27.8000111.2A70N68-A70 PolarHBondContact O-N 3.19Å
69P78.1Confident65.2Low7 Ų771.8 Ų71.85%0.04545%0.447CS..PPolyproline II helixtrans-69.2134.7-178.528.7-34.6000109.9Q67 I71 F80 K81 A82 Y109 L111 V116Q67-P69 VanDerWaalsContact O-N 3.13Å; P69-I71 HydrophobicContact CB-CD1 4.16Å; P69-I71 HydrophobicContact CB-CG1 3.96Å; P69-I71 HydrophobicContact CG-CD1 3.92Å; P69-I71 HydrophobicContact CG-CG1 4.18Å; P69-I71 PolarHBondContact O-N 2.89Å; P69-F80 HydrophobicContact CB-CE2 3.94Å; P69-F80 HydrophobicContact CB-CZ 4.27Å; P69-K81 CarbonylContact C-O 3.5Å; P69-K81 WeakPolarHBondContact CA-O 3.45Å; P69-A82 HydrophobicContact CB-CB 3.93Å; P69-Y109 HydrophobicContact CG-CD2 4.4Å; P69-Y109 HydrophobicContact CG-CE2 4.23Å; P69-L111 VanDerWaalsContact CD-CD1 3.46Å; P69-L111 HydrophobicContact CG-CD1 3.81Å; P69-V116 HydrophobicContact CG-CG1 4.37Å
70A83.3Confident68.3Low63 Ų6368.7 Ų68.752%0.52142%0.415SS..EExtended strand (participates in β ladder)trans-78.6107167.200000108.2N68 K81N68-A70 PolarHBondContact O-N 3.19Å; A70-K81 HydrophobicContact CB-CB 4.36Å; A70-K81 PolarHBondContact N-O 2.88Å; A70-K81 PolarHBondContact O-N 3.3Å
71I85.8Confident70.9Confident29 Ų2968 Ų6815%0.14940%0.397CS..EExtended strand (participates in β ladder)trans-120118.8179.5-50.7179.8000107.7P69 L78 H79 F80 P107 Y109 V116 I118P69-I71 HydrophobicContact CB-CD1 4.16Å; P69-I71 HydrophobicContact CB-CG1 3.96Å; P69-I71 HydrophobicContact CG-CD1 3.92Å; P69-I71 HydrophobicContact CG-CG1 4.18Å; P69-I71 PolarHBondContact O-N 2.89Å; I71-L78 HydrophobicContact CG2-CD1 3.71Å; I71-H79 WeakPolarHBondContact CA-O 3.39Å; I71-F80 HydrophobicContact CD1-CD2 4.04Å; I71-F80 HydrophobicContact CD1-CE2 4.07Å; I71-F80 HydrophobicContact CG1-CD2 3.84Å; I71-F80 HydrophobicContact CG1-CE2 4.19Å; I71-P107 HydrophobicContact CG2-CG 4.07Å; I71-Y109 HydrophobicContact CD1-CD1 4.02Å; I71-Y109 HydrophobicContact CD1-CD2 4.22Å; I71-Y109 HydrophobicContact CD1-CG 3.77Å; I71-V116 HydrophobicContact CD1-CG1 4.15Å; I71-I118 HydrophobicContact CD1-CD1 3.92Å; I71-I118 HydrophobicContact CD1-CG1 4.03Å; I71-I118 HydrophobicContact CG2-CD1 4.42Å
72S86.1Confident73.6Confident58 Ų5863.5 Ų63.541%0.40636%0.36SS..EExtended strand (participates in β ladder)trans-138149.517558.80000110.6H79S72-H79 PolarHBondContact N-O 3.37Å; S72-H79 PolarHBondContact O-N 2.88Å
73I85.7Confident76Confident19 Ų1962 Ų6210%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-114.8111.8172.3-60.8175000107.2V77 L78 F99 V103 P107 V120I73-V77 WeakPolarHBondContact CA-O 3.21Å; I73-L78 HydrophobicContact CD1-CD1 4.2Å; I73-L78 HydrophobicContact CG1-CD1 3.61Å; I73-F99 HydrophobicContact CD1-CE2 4.33Å; I73-V103 HydrophobicContact CD1-CG2 4.18Å; I73-V103 HydrophobicContact CG2-CG2 3.89Å; I73-P107 HydrophobicContact CD1-CB 4Å; I73-P107 HydrophobicContact CD1-CG 4.06Å; I73-P107 HydrophobicContact CG1-CG 4.25Å; I73-V120 HydrophobicContact CD1-CG1 3.98Å; I73-V120 HydrophobicContact CD1-CG2 4.23Å
74T82.4Confident77.9Confident72 Ų7254.2 Ų54.244%0.44230%0.302SS..EExtended strand (participates in β ladder)trans-119.9128.4176.241.90000108.6N76 V77 H79T74-N76 PolarHBondContact O-N 2.94Å; T74-N76 VanDerWaalsContact O-N 3.13Å; T74-V77 PolarHBondContact N-O 3.45Å; T74-V77 WeakPolarHBondContact O-CB 3.49Å; T74-V77 PolarHBondContact O-N 3.11Å; T74-H79 PolarHBondContact OG1-CD2 3.47Å; T74-H79 PolarHBondContact OG1-NE2 3.46Å
75E79.1Confident79.2Confident192 Ų19254.4 Ų54.490%0.89730%0.297SS*.THydrogen-bonded Turntrans51.739.5175.8-56.7-175.8172.800114.3V77E75-V77 PolarHBondContact O-N 2.88Å
76N86.1Confident79.9Confident28 Ų2852.5 Ų52.515%0.1528%0.277CS..THydrogen-bonded Turntrans69.213.4-177.9-146.943.8000115.4T74 F99 D101 L102 V103T74-N76 PolarHBondContact O-N 2.94Å; T74-N76 VanDerWaalsContact O-N 3.13Å; N76-F99 PolarHBondContact ND2-O 2.91Å; N76-F99 WeakPolarHBondContact O-CD2 3.45Å; N76-F99 PolarHBondContact O-N 3.45Å; N76-D101 VanDerWaalsContact ND2-C 3.31Å; N76-D101 PolarHBondContact ND2-O 2.88Å; N76-D101 PolarHBondContact OD1-O 2.82Å; N76-D101 VanDerWaalsContact OD1-O 3.05Å; N76-L102 WeakPolarHBondContact OD1-CA 3.28Å; N76-V103 WeakPolarHBondContact OD1-CG2 3.28Å; N76-V103 PolarHBondContact OD1-N 3.14Å; N76-V103 VanDerWaalsContact OD1-N 3.07Å
77V88.2Confident80.2Confident31 Ų3155.7 Ų55.719%0.18831%0.307CS..EExtended strand (participates in β ladder)trans-107.7124.7172.4-174.70000109.1I73 T74 E75 H79 H96 L97 E98I73-V77 WeakPolarHBondContact CA-O 3.21Å; T74-V77 PolarHBondContact N-O 3.45Å; T74-V77 WeakPolarHBondContact O-CB 3.49Å; T74-V77 PolarHBondContact O-N 3.11Å; E75-V77 PolarHBondContact O-N 2.88Å; V77-H79 PolarHBondContact O-CD2 2.83Å; V77-H79 VanDerWaalsContact O-CD2 3.3Å; V77-H96 HydrophobicContact CG1-CB 4.23Å; V77-L97 WeakPolarHBondContact CA-O 3.45Å; V77-E98 HydrophobicContact CG2-CB 4.12Å; V77-E98 HydrophobicContact CG2-CG 4.12Å
78L90Very high80.2Confident0 Ų058.2 Ų58.20%032%0.316CS..EExtended strand (participates in β ladder)trans-80.7118.3170.3178.969.8000109L21 I71 I73 F95 H96 L97 F99 I118L21-L78 HydrophobicContact CD1-CD2 3.42Å; L21-L78 VanDerWaalsContact CD1-CD2 3.42Å; I71-L78 HydrophobicContact CG2-CD1 3.71Å; I73-L78 HydrophobicContact CD1-CD1 4.2Å; I73-L78 HydrophobicContact CG1-CD1 3.61Å; L78-F95 HydrophobicContact CD2-CE2 4.13Å; L78-F95 HydrophobicContact CD2-CZ 4.33Å; L78-H96 WeakPolarHBondContact O-CA 3.32Å; L78-L97 HydrophobicContact CB-CB 4.3Å; L78-L97 PolarHBondContact N-O 2.97Å; L78-L97 PolarHBondContact O-N 3.11Å; L78-F99 HydrophobicContact CB-CE2 3.76Å; L78-F99 HydrophobicContact CB-CZ 3.78Å; L78-F99 HydrophobicContact CD2-CZ 4.16Å; L78-F99 HydrophobicContact CG-CZ 4.49Å; L78-I118 HydrophobicContact CD2-CD1 4.43Å
79H90.1Very high80.3Confident60 Ų6052.7 Ų52.728%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-99118.7170.3-61.9-96000108.4I71 S72 T74 V77 H96I71-H79 WeakPolarHBondContact CA-O 3.39Å; S72-H79 PolarHBondContact N-O 3.37Å; S72-H79 PolarHBondContact O-N 2.88Å; T74-H79 PolarHBondContact OG1-CD2 3.47Å; T74-H79 PolarHBondContact OG1-NE2 3.46Å; V77-H79 PolarHBondContact O-CD2 2.83Å; V77-H79 VanDerWaalsContact O-CD2 3.3Å; H79-H96 AromaticContact CE1-ND1 3.71Å; H79-H96 AromaticContact CG-ND1 3.8Å; H79-H96 AromaticContact ND1-CE1 3.44Å; H79-H96 PolarHBondContact ND1-CE1 3.32Å; H79-H96 AromaticContact ND1-ND1 3.01Å; H79-H96 PolarHBondContact ND1-ND1 2.94Å
80F90.6Very high80Confident1 Ų155.7 Ų55.70%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-119.6126.5176177.2-88.1000109.5P8 V23 P69 I71 A82 E94 F95 V116 I118P8-F80 HydrophobicContact CG-CE1 4.5Å; V23-F80 HydrophobicContact CB-CZ 4.4Å; V23-F80 HydrophobicContact CG1-CE1 3.98Å; V23-F80 HydrophobicContact CG1-CZ 3.97Å; V23-F80 HydrophobicContact CG2-CE2 4.33Å; P69-F80 HydrophobicContact CB-CE2 3.94Å; P69-F80 HydrophobicContact CB-CZ 4.27Å; I71-F80 HydrophobicContact CD1-CD2 4.04Å; I71-F80 HydrophobicContact CD1-CE2 4.07Å; I71-F80 HydrophobicContact CG1-CD2 3.84Å; I71-F80 HydrophobicContact CG1-CE2 4.19Å; F80-A82 HydrophobicContact CE1-CB 3.66Å; F80-A82 HydrophobicContact CZ-CB 3.58Å; F80-E94 WeakPolarHBondContact O-CA 3.33Å; F80-F95 HydrophobicContact CB-CD1 3.73Å; F80-F95 HydrophobicContact CB-CD2 4.4Å; F80-F95 HydrophobicContact CB-CE1 3.34Å; F80-F95 HydrophobicContact CB-CE2 4.06Å; F80-F95 HydrophobicContact CB-CG 4.25Å; F80-F95 HydrophobicContact CB-CZ 3.51Å; F80-F95 AromaticContact CD1-CD1 3.52Å; F80-F95 HydrophobicContact CD1-CD1 3.52Å; F80-F95 AromaticContact CD1-CE1 3.28Å; F80-F95 HydrophobicContact CD1-CE1 3.28Å; F80-F95 HydrophobicContact CD1-CZ 4.27Å; F80-F95 HydrophobicContact CD2-CE1 4.09Å; F80-F95 HydrophobicContact CD2-CZ 4.42Å; F80-F95 HydrophobicContact CE1-CD1 4.42Å; F80-F95 HydrophobicContact CE1-CE1 4.07Å; F80-F95 AromaticContact CG-CD1 3.87Å; F80-F95 HydrophobicContact CG-CD1 3.87Å; F80-F95 AromaticContact CG-CE1 3.29Å; F80-F95 HydrophobicContact CG-CE1 3.29Å; F80-F95 AromaticContact CG-CZ 3.83Å; F80-F95 HydrophobicContact CG-CZ 3.83Å; F80-F95 PolarHBondContact N-O 2.91Å; F80-F95 VanDerWaalsContact N-O 3.09Å; F80-F95 PolarHBondContact O-N 3.42Å; F80-F95 VanDerWaalsContact O-N 3.11Å; F80-V116 HydrophobicContact CE2-CB 4.23Å; F80-V116 HydrophobicContact CE2-CG1 4.17Å; F80-V116 HydrophobicContact CE2-CG2 4.28Å; F80-V116 HydrophobicContact CZ-CB 4.47Å; F80-V116 HydrophobicContact CZ-CG2 4.16Å; F80-I118 HydrophobicContact CD2-CD1 3.85Å; F80-I118 HydrophobicContact CE2-CD1 4.22Å
81K86.8Confident79.8Confident104 Ų10452.9 Ų52.945%0.45228%0.284SS..EExtended strand (participates in β ladder)trans-137.1125.6171.8-174.5172.1-176.1165.30110.3P69 A70 V92 Y93P69-K81 CarbonylContact C-O 3.5Å; P69-K81 WeakPolarHBondContact CA-O 3.45Å; A70-K81 HydrophobicContact CB-CB 4.36Å; A70-K81 PolarHBondContact N-O 2.88Å; A70-K81 PolarHBondContact O-N 3.3Å; K81-V92 HydrophobicContact CG-CG1 4.21Å; K81-Y93 CarbonylContact C-O 3.59Å; K81-Y93 VanDerWaalsContact CA-O 3.32Å; K81-Y93 WeakPolarHBondContact CA-O 3.48Å
82A85.4Confident79.7Confident4 Ų452.3 Ų52.33%0.03328%0.282CS..EExtended strand (participates in β ladder)trans-136.7147.5177.500000110.6P69 F80 Y93P69-A82 HydrophobicContact CB-CB 3.93Å; F80-A82 HydrophobicContact CE1-CB 3.66Å; F80-A82 HydrophobicContact CZ-CB 3.58Å; A82-Y93 PolarHBondContact N-O 2.87Å; A82-Y93 PolarHBondContact O-N 3.4Å
83Q80Confident79.7Confident68 Ų6849.9 Ų49.932%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-108.1124.4173.3-174.5171.6-9.200109.4L66 Q67L66-Q83 WeakPolarHBondContact CD1-O 3.21Å; Q67-Q83 PolarHBondContact N-O 2.84Å
84G75.2Confident79.8Confident1 Ų151.8 Ų51.81%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-128.2139.1179.300000111.2N91G84-N91 PolarHBondContact N-O 3.23Å; G84-N91 PolarHBondContact O-N 2.87Å; G84-N91 VanDerWaalsContact O-O 3.1Å
85H71.4Confident80.2Confident78 Ų7848.6 Ų48.636%0.36125%0.253SS..EExtended strand (participates in β ladder)trans-94.1124.2174.1-16684.1000109.6V64 D90V64-H85 HydrophobicContact CG1-CB 3.26Å; H85-D90 IonicContact CE1-OD1 2.77Å; H85-D90 IonicContact CG-OD1 3.12Å; H85-D90 IonicContact ND1-OD1 3.5Å; H85-D90 PolarHBondContact ND1-OD1 3.17Å
86G67.9Low80.7Confident4 Ų444.2 Ų44.24%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-130.9-175.2179.800000114.3D27 K88 G89D27-G86 WeakPolarHBondContact O-CA 3.38Å; G86-K88 PolarHBondContact O-N 3.03Å; G86-G89 PolarHBondContact N-O 3.45Å; G86-G89 PolarHBondContact O-N 2.83Å
87A60.5Low80.9Confident88 Ų8843 Ų4373%0.72723%0.225SC*.THydrogen-bonded Turntrans-60-18.2-177.400000113.9
88K62.4Low81.1Confident174 Ų17444.9 Ų44.976%0.75723%0.232SC*.THydrogen-bonded Turntrans-101.57.6177.8-65.6-178.3178.5176.50113.7G86G86-K88 PolarHBondContact O-N 3.03Å
89G70.8Confident81.1Confident26 Ų2644.9 Ų44.927%0.26823%0.232SC..EExtended strand (participates in β ladder)trans102.8-161-176.100000113.4G86 N91G86-G89 PolarHBondContact N-O 3.45Å; G86-G89 PolarHBondContact O-N 2.83Å; G89-N91 PolarHBondContact O-N 3.28Å
90D71.9Confident81.1Confident70 Ų7044.7 Ų44.737%0.37423%0.233SC..EExtended strand (participates in β ladder)trans-75.3114.5178.6-72.3-40000111.2H85H85-D90 IonicContact CE1-OD1 2.77Å; H85-D90 IonicContact CG-OD1 3.12Å; H85-D90 IonicContact ND1-OD1 3.5Å; H85-D90 PolarHBondContact ND1-OD1 3.17Å
91N79.6Confident81Confident4 Ų447.3 Ų47.32%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-110.5141.8177-68.1-28.2000110.5L6 D27 G84 G89 Y93L6-N91 HydrophobicContact CD1-CB 3.89Å; L6-N91 WeakPolarHBondContact CD1-ND2 3.33Å; L6-N91 HydrophobicContact CG-CB 4.5Å; D27-N91 PolarHBondContact OD2-ND2 3.37Å; G84-N91 PolarHBondContact N-O 3.23Å; G84-N91 PolarHBondContact O-N 2.87Å; G84-N91 VanDerWaalsContact O-O 3.1Å; G89-N91 PolarHBondContact O-N 3.28Å; N91-Y93 HydrophobicContact CB-CE2 4.18Å
92V83.1Confident81Confident17 Ų1746.6 Ų46.610%0.10325%0.248CC..EExtended strand (participates in β ladder)trans-102.2121.3173.5178.60000108.1N3 Q4 V5 L6 K81N3-V92 HydrophobicContact CB-CG2 4.1Å; Q4-V92 PolarHBondContact O-N 3.06Å; V5-V92 CarbonylContact C-O 3.49Å; V5-V92 VanDerWaalsContact CA-O 3.3Å; V5-V92 WeakPolarHBondContact CA-O 3.5Å; L6-V92 PolarHBondContact N-O 3.43Å; K81-V92 HydrophobicContact CG-CG1 4.21Å
93Y86Confident81.3Confident6 Ų647.2 Ų47.22%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-96.6122.6176.4-64.6-88000109.8L6 P8 L25 D27 K81 A82 N91L6-Y93 HydrophobicContact CB-CD1 4.02Å; L6-Y93 HydrophobicContact CB-CE1 4.07Å; L6-Y93 HydrophobicContact CD1-CE1 4.23Å; L6-Y93 VanDerWaalsContact O-CA 3.32Å; L6-Y93 WeakPolarHBondContact O-CA 3.32Å; P8-Y93 HydrophobicContact CB-CD1 3.9Å; P8-Y93 HydrophobicContact CG-CD1 4.4Å; L25-Y93 HydrophobicContact CD2-CD1 3.85Å; L25-Y93 HydrophobicContact CD2-CD2 3.95Å; L25-Y93 HydrophobicContact CD2-CE1 4.25Å; L25-Y93 HydrophobicContact CD2-CE2 4.36Å; L25-Y93 HydrophobicContact CD2-CG 3.65Å; D27-Y93 WeakPolarHBondContact CB-OH 3.27Å; D27-Y93 PolarHBondContact N-OH 3.42Å; D27-Y93 PolarHBondContact OD2-OH 2.87Å; K81-Y93 CarbonylContact C-O 3.59Å; K81-Y93 VanDerWaalsContact CA-O 3.32Å; K81-Y93 WeakPolarHBondContact CA-O 3.48Å; A82-Y93 PolarHBondContact N-O 2.87Å; A82-Y93 PolarHBondContact O-N 3.4Å; N91-Y93 HydrophobicContact CB-CE2 4.18Å
94E89.2Confident81.6Confident59 Ų5948.5 Ų48.528%0.27626%0.255SS..EExtended strand (participates in β ladder)trans-139.7134.7-177.5-173.5161.5-166.600111.1V5 L6 F80 H96V5-E94 HydrophobicContact CG1-CB 4.1Å; L6-E94 PolarHBondContact O-N 3.37Å; L6-E94 VanDerWaalsContact O-N 3.09Å; F80-E94 WeakPolarHBondContact O-CA 3.33Å; E94-H96 IonicContact OE1-CE1 3.64Å; E94-H96 IonicContact OE1-NE2 3.72Å
95F90.1Very high82.1Confident6 Ų652.9 Ų52.93%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-150.6156.9168.173.3-92.9000111.6P8 V10 V23 L78 F80 L97 F140P8-F95 HydrophobicContact CG-CD1 3.65Å; P8-F95 HydrophobicContact CG-CE1 4.14Å; V10-F95 HydrophobicContact CG2-CD1 4.09Å; V10-F95 HydrophobicContact CG2-CE1 3.73Å; V10-F95 HydrophobicContact CG2-CE2 4.26Å; V10-F95 HydrophobicContact CG2-CG 4.48Å; V10-F95 HydrophobicContact CG2-CZ 3.84Å; V23-F95 HydrophobicContact CG1-CE1 4.03Å; V23-F95 HydrophobicContact CG2-CE1 3.76Å; V23-F95 HydrophobicContact CG2-CZ 3.87Å; L78-F95 HydrophobicContact CD2-CE2 4.13Å; L78-F95 HydrophobicContact CD2-CZ 4.33Å; F80-F95 HydrophobicContact CB-CD1 3.73Å; F80-F95 HydrophobicContact CB-CD2 4.4Å; F80-F95 HydrophobicContact CB-CE1 3.34Å; F80-F95 HydrophobicContact CB-CE2 4.06Å; F80-F95 HydrophobicContact CB-CG 4.25Å; F80-F95 HydrophobicContact CB-CZ 3.51Å; F80-F95 AromaticContact CD1-CD1 3.52Å; F80-F95 HydrophobicContact CD1-CD1 3.52Å; F80-F95 AromaticContact CD1-CE1 3.28Å; F80-F95 HydrophobicContact CD1-CE1 3.28Å; F80-F95 HydrophobicContact CD1-CZ 4.27Å; F80-F95 HydrophobicContact CD2-CE1 4.09Å; F80-F95 HydrophobicContact CD2-CZ 4.42Å; F80-F95 HydrophobicContact CE1-CD1 4.42Å; F80-F95 HydrophobicContact CE1-CE1 4.07Å; F80-F95 AromaticContact CG-CD1 3.87Å; F80-F95 HydrophobicContact CG-CD1 3.87Å; F80-F95 AromaticContact CG-CE1 3.29Å; F80-F95 HydrophobicContact CG-CE1 3.29Å; F80-F95 AromaticContact CG-CZ 3.83Å; F80-F95 HydrophobicContact CG-CZ 3.83Å; F80-F95 PolarHBondContact N-O 2.91Å; F80-F95 VanDerWaalsContact N-O 3.09Å; F80-F95 PolarHBondContact O-N 3.42Å; F80-F95 VanDerWaalsContact O-N 3.11Å; F95-L97 HydrophobicContact CD2-CB 4.16Å; F95-L97 HydrophobicContact CE2-CB 4.06Å; F95-F140 HydrophobicContact CB-CE2 4.38Å; F95-F140 HydrophobicContact CB-CZ 4.44Å; F95-F140 HydrophobicContact CD2-CE2 4.18Å; F95-F140 HydrophobicContact CG-CE2 4.41Å
96H90.5Very high82.8Confident100 Ų10056.9 Ų56.946%0.46330%0.303SS..EExtended strand (participates in β ladder)trans-122.2133.9173.3-53.4-61000109.2V77 L78 H79 E94V77-H96 HydrophobicContact CG1-CB 4.23Å; L78-H96 WeakPolarHBondContact O-CA 3.32Å; H79-H96 AromaticContact CE1-ND1 3.71Å; H79-H96 AromaticContact CG-ND1 3.8Å; H79-H96 AromaticContact ND1-CE1 3.44Å; H79-H96 PolarHBondContact ND1-CE1 3.32Å; H79-H96 AromaticContact ND1-ND1 3.01Å; H79-H96 PolarHBondContact ND1-ND1 2.94Å; E94-H96 IonicContact OE1-CE1 3.64Å; E94-H96 IonicContact OE1-NE2 3.72Å
97L89.7Confident83.6Confident2 Ų258 Ų581%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-133.4108.6-178.1-171.173000110.2L21 V77 L78 F95 F99 L131 T132L21-L97 HydrophobicContact CD1-CD2 4.27Å; L21-L97 HydrophobicContact CD2-CD2 4.27Å; V77-L97 WeakPolarHBondContact CA-O 3.45Å; L78-L97 HydrophobicContact CB-CB 4.3Å; L78-L97 PolarHBondContact N-O 2.97Å; L78-L97 PolarHBondContact O-N 3.11Å; F95-L97 HydrophobicContact CD2-CB 4.16Å; F95-L97 HydrophobicContact CE2-CB 4.06Å; L97-F99 HydrophobicContact CD2-CE1 4.13Å; L97-L131 HydrophobicContact CD2-CD2 3.8Å; L97-L131 HydrophobicContact CD2-CG 4.45Å; L97-T132 HydrophobicContact CD1-CG2 3.43Å; L97-T132 VanDerWaalsContact CD1-CG2 3.43Å; L97-T132 HydrophobicContact CG-CG2 4.29Å
98E91.1Very high84.9Confident70 Ų7057.9 Ų57.933%0.32730%0.299SS..EExtended strand (participates in β ladder)trans-82119.6174.2-174.3-176.7-176.500110V77 T132 K133V77-E98 HydrophobicContact CG2-CB 4.12Å; V77-E98 HydrophobicContact CG2-CG 4.12Å; E98-T132 WeakPolarHBondContact O-CA 3.34Å; E98-K133 HydrophobicContact CG-CB 4.38Å; E98-K133 PolarHBondContact O-N 2.89Å; E98-K133 VanDerWaalsContact OE1-CD 3.25Å; E98-K133 WeakPolarHBondContact OE1-CD 3.43Å; E98-K133 IonicContact OE1-NZ 3.73Å
99F91.4Very high86.1Confident1 Ų154.4 Ų54.40%0.00428%0.282CS..BIsolated β-bridgetrans-75.1153.8179.7-64.5-64.2000112.5L19 L21 I73 N76 L78 L97 V103 V120 W128 L131L19-F99 HydrophobicContact CD1-CD1 4.21Å; L19-F99 HydrophobicContact CD1-CE1 4.24Å; L21-F99 HydrophobicContact CD1-CE1 4.23Å; L21-F99 HydrophobicContact CD1-CZ 4.23Å; I73-F99 HydrophobicContact CD1-CE2 4.33Å; N76-F99 PolarHBondContact ND2-O 2.91Å; N76-F99 WeakPolarHBondContact O-CD2 3.45Å; N76-F99 PolarHBondContact O-N 3.45Å; L78-F99 HydrophobicContact CB-CE2 3.76Å; L78-F99 HydrophobicContact CB-CZ 3.78Å; L78-F99 HydrophobicContact CD2-CZ 4.16Å; L78-F99 HydrophobicContact CG-CZ 4.49Å; L97-F99 HydrophobicContact CD2-CE1 4.13Å; F99-V103 HydrophobicContact CB-CG1 4.34Å; F99-V103 HydrophobicContact CD2-CB 4.41Å; F99-V103 HydrophobicContact CD2-CG1 3.95Å; F99-V103 HydrophobicContact CD2-CG2 3.55Å; F99-V103 HydrophobicContact CE2-CG1 4.41Å; F99-V103 HydrophobicContact CE2-CG2 3.76Å; F99-V103 HydrophobicContact CG-CG1 4.06Å; F99-V103 HydrophobicContact CG-CG2 4.45Å; F99-V120 HydrophobicContact CE2-CG1 4.44Å; F99-V120 HydrophobicContact CZ-CG1 4.35Å; F99-V120 HydrophobicContact CZ-CG2 4.19Å; F99-W128 HydrophobicContact CB-CH2 3.93Å; F99-W128 HydrophobicContact CB-CZ3 4Å; F99-W128 HydrophobicContact CD1-CH2 4.47Å; F99-W128 HydrophobicContact CD1-CZ3 4.1Å; F99-W128 HydrophobicContact CG-CH2 4.42Å; F99-W128 HydrophobicContact CG-CZ3 4.41Å; F99-L131 WeakPolarHBondContact CA-O 3.3Å; F99-L131 HydrophobicContact CD1-CD1 4.12Å; F99-L131 HydrophobicContact CE1-CD1 4.26Å
100L89Confident86.8Confident55 Ų5560.5 Ų60.529%0.28830%0.301SS..SBendtrans-61.1-47.4177179.465.3000112.6W128 R130 L131L100-W128 HydrophobicContact CB-CD2 4.39Å; L100-W128 HydrophobicContact CB-CE3 4.04Å; L100-W128 HydrophobicContact CB-CZ3 4.23Å; L100-W128 HydrophobicContact CD2-CB 4.19Å; L100-W128 HydrophobicContact CD2-CG 4.31Å; L100-R130 HydrophobicContact CD1-CG 4.05Å; L100-R130 HydrophobicContact CD2-CG 4.02Å; L100-R130 VanDerWaalsContact CD2-O 3.31Å; L100-R130 WeakPolarHBondContact CD2-O 3.23Å; L100-L131 PolarHBondContact N-O 2.87Å
101D88.4Confident87.2Confident56 Ų5660.8 Ų60.830%0.29930%0.302SS..SBendtrans-135.4171.2-176.3-166.311.2000110.5N76 V103 W128N76-D101 VanDerWaalsContact ND2-C 3.31Å; N76-D101 PolarHBondContact ND2-O 2.88Å; N76-D101 PolarHBondContact OD1-O 2.82Å; N76-D101 VanDerWaalsContact OD1-O 3.05Å; D101-V103 PolarHBondContact O-N 3.3Å; D101-W128 HydrophobicContact CB-CH2 4.49Å; D101-W128 HydrophobicContact CB-CZ2 3.77Å; D101-W128 WeakPolarHBondContact O-CH2 3.34Å
102L87.9Confident87Confident90 Ų9063.9 Ų63.947%0.47132%0.321SS..  trans-61.4126.4-171.7-62.5177.3000112.5N76 K123N76-L102 WeakPolarHBondContact OD1-CA 3.28Å; L102-K123 HydrophobicContact CB-CB 4.08Å; L102-K123 HydrophobicContact CB-CD 3.97Å; L102-K123 HydrophobicContact CD1-CD 4.09Å; L102-K123 WeakPolarHBondContact O-CB 3.47Å; L102-K123 PolarHBondContact O-N 3.38Å
103V90.2Very high86.3Confident16 Ų1669 Ų6910%0.09734%0.344CS..BIsolated β-bridgetrans-110161.5171.1-590000112L19 I73 N76 F99 D101 V120 W128L19-V103 HydrophobicContact CD1-CG1 4.2Å; I73-V103 HydrophobicContact CD1-CG2 4.18Å; I73-V103 HydrophobicContact CG2-CG2 3.89Å; N76-V103 WeakPolarHBondContact OD1-CG2 3.28Å; N76-V103 PolarHBondContact OD1-N 3.14Å; N76-V103 VanDerWaalsContact OD1-N 3.07Å; F99-V103 HydrophobicContact CB-CG1 4.34Å; F99-V103 HydrophobicContact CD2-CB 4.41Å; F99-V103 HydrophobicContact CD2-CG1 3.95Å; F99-V103 HydrophobicContact CD2-CG2 3.55Å; F99-V103 HydrophobicContact CE2-CG1 4.41Å; F99-V103 HydrophobicContact CE2-CG2 3.76Å; F99-V103 HydrophobicContact CG-CG1 4.06Å; F99-V103 HydrophobicContact CG-CG2 4.45Å; D101-V103 PolarHBondContact O-N 3.3Å; V103-V120 HydrophobicContact CB-CG1 3.61Å; V103-V120 HydrophobicContact CG1-CG1 3.82Å; V103-V120 HydrophobicContact CG2-CG1 3.9Å; V103-W128 HydrophobicContact CG1-CH2 3.69Å; V103-W128 HydrophobicContact CG1-CZ2 4.26Å
104K88.1Confident85.7Confident95 Ų9575 Ų7541%0.41337%0.367SS..  trans-73.5141.9170.6-63.2-173.6-171.4171.10110.1E106 Q121K104-E106 PolarHBondContact O-N 2.93Å; K104-Q121 HydrophobicContact CB-CB 4.35Å; K104-Q121 HydrophobicContact CD-CB 3.95Å; K104-Q121 HydrophobicContact CG-CB 4.28Å; K104-Q121 PolarHBondContact N-O 2.95Å
105P84.9Confident85.4Confident94 Ų9474.6 Ų74.661%0.6137%0.365SS*.SBendtrans-75.3-1.1-174.730.9-36000114.5P107P105-P107 VanDerWaalsContact C-CD 3.49Å; P105-P107 WeakPolarHBondContact O-CD 3.37Å
106E85.2Confident85.2Confident162 Ų16274.3 Ų74.376%0.75736%0.363SS*.  trans-103.686.5-178.4-65.8177.5179.600110.8K104K104-E106 PolarHBondContact O-N 2.93Å
107P86.4Confident85.2Confident27 Ų2770.9 Ų70.918%0.17535%0.349CS..  trans-75.2136.3173.930.4-33.7000110.8I71 I73 P105 I118 V120I71-P107 HydrophobicContact CG2-CG 4.07Å; I73-P107 HydrophobicContact CD1-CB 4Å; I73-P107 HydrophobicContact CD1-CG 4.06Å; I73-P107 HydrophobicContact CG1-CG 4.25Å; P105-P107 VanDerWaalsContact C-CD 3.49Å; P105-P107 WeakPolarHBondContact O-CD 3.37Å; P107-I118 HydrophobicContact CB-CG2 4.03Å; P107-V120 HydrophobicContact CB-CG2 4.37Å
108V87.4Confident85.2Confident86 Ų8670.9 Ų70.952%0.52135%0.349SS..EExtended strand (participates in β ladder)trans-96120.2170.5179.70000107.9T119V108-T119 PolarHBondContact N-O 3.34Å; V108-T119 PolarHBondContact O-N 3.45Å
109Y86.8Confident85.3Confident101 Ų10169.1 Ų69.140%0.39634%0.343SS..EExtended strand (participates in β ladder)trans-117.7149.3177.870.2-87.8000112.1P69 I71 N117P69-Y109 HydrophobicContact CG-CD2 4.4Å; P69-Y109 HydrophobicContact CG-CE2 4.23Å; I71-Y109 HydrophobicContact CD1-CD1 4.02Å; I71-Y109 HydrophobicContact CD1-CD2 4.22Å; I71-Y109 HydrophobicContact CD1-CG 3.77Å; Y109-N117 CarbonylContact C-O 3.57Å; Y109-N117 VanDerWaalsContact CA-O 3.26Å; Y109-N117 WeakPolarHBondContact CA-O 3.27Å
110K85.3Confident85.3Confident153 Ų15369 Ų6967%0.66534%0.342SS*.EExtended strand (participates in β ladder)trans-124.7121.2172.1-68.5-177.3179.5179.60108.4N117K110-N117 HydrophobicContact CB-CB 4.42Å; K110-N117 PolarHBondContact N-O 3.3Å; K110-N117 PolarHBondContact O-N 3.17Å
111L80.6Confident85.4Confident77 Ų7770 Ų7040%0.40335%0.346SS..EExtended strand (participates in β ladder)trans-84.3133177.4-15797.1000109.7L66 P69 V116L66-L111 HydrophobicContact CD2-CD1 3.66Å; L66-L111 HydrophobicContact CD2-CD2 4.36Å; L66-L111 HydrophobicContact CD2-CG 4.06Å; L66-L111 HydrophobicContact CG-CD1 4.45Å; P69-L111 VanDerWaalsContact CD-CD1 3.46Å; P69-L111 HydrophobicContact CG-CD1 3.81Å; L111-V116 HydrophobicContact CD1-CG2 4.06Å
112T76.3Confident85.5Confident68 Ų6867.8 Ų67.842%0.41733%0.333SS..  trans-120.6166.9169.11.50000108.5R114 Q115T112-R114 PolarHBondContact O-N 3.45Å; T112-R114 VanDerWaalsContact O-N 3.07Å; T112-Q115 WeakPolarHBondContact CA-O 3.47Å; T112-Q115 WeakPolarHBondContact CB-O 3.35Å; T112-Q115 PolarHBondContact N-O 3.04Å; T112-Q115 PolarHBondContact OG1-O 3.45Å
113Q68.9Low85.5Confident124 Ų12470.3 Ų70.358%0.57934%0.34SS*.SBendtrans-57.7-27.4-175.9-67.2-178.8-4.500114.3S30S30-Q113 PolarHBondContact OG-OE1 3.33Å
114R71.8Confident85.3Confident134 Ų13473.5 Ų73.551%0.50636%0.359SS..SBendtrans-129.6-6.4-174.9-55.3-178.482.3169.21.3114.2L25 T112L25-R114 PolarHBondContact N-O 3.1Å; L25-R114 VanDerWaalsContact N-O 3.11Å; T112-R114 PolarHBondContact O-N 3.45Å; T112-R114 VanDerWaalsContact O-N 3.07Å
115Q83.8Confident85.2Confident49 Ų4971.9 Ų71.923%0.22936%0.36CS..EExtended strand (participates in β ladder)trans-145.5146.9-170.1-64176.6-0.600110.7V23 E24 T112V23-Q115 CarbonylContact O-C 3.48Å; V23-Q115 WeakPolarHBondContact O-CA 3.45Å; E24-Q115 HydrophobicContact CB-CG 4.37Å; E24-Q115 HydrophobicContact CG-CG 4.23Å; E24-Q115 PolarHBondContact OE1-NE2 2.61Å; T112-Q115 WeakPolarHBondContact CA-O 3.47Å; T112-Q115 WeakPolarHBondContact CB-O 3.35Å; T112-Q115 PolarHBondContact N-O 3.04Å; T112-Q115 PolarHBondContact OG1-O 3.45Å
116V86.6Confident85.2Confident0 Ų072.7 Ų72.70%036%0.356CS..EExtended strand (participates in β ladder)trans-113.3116.4172.7-172.40000108.8V23 L25 L66 P69 I71 F80 L111 I118V23-V116 HydrophobicContact CB-CB 4.27Å; V23-V116 PolarHBondContact N-O 3.47Å; V23-V116 PolarHBondContact O-N 3.03Å; L25-V116 HydrophobicContact CD1-CG2 4.33Å; L66-V116 HydrophobicContact CD2-CG2 3.92Å; P69-V116 HydrophobicContact CG-CG1 4.37Å; I71-V116 HydrophobicContact CD1-CG1 4.15Å; F80-V116 HydrophobicContact CE2-CB 4.23Å; F80-V116 HydrophobicContact CE2-CG1 4.17Å; F80-V116 HydrophobicContact CE2-CG2 4.28Å; F80-V116 HydrophobicContact CZ-CB 4.47Å; F80-V116 HydrophobicContact CZ-CG2 4.16Å; L111-V116 HydrophobicContact CD1-CG2 4.06Å; V116-I118 HydrophobicContact CG1-CG1 3.99Å
117N89.6Confident85.3Confident29 Ų2967.2 Ų67.216%0.15533%0.328CS..EExtended strand (participates in β ladder)trans-95.6109.2177.5-71.9-44.3000109.3L21 R22 Y109 K110L21-N117 CarbonylContact O-C 3.57Å; R22-N117 WeakPolarHBondContact CG-OD1 3.19Å; Y109-N117 CarbonylContact C-O 3.57Å; Y109-N117 VanDerWaalsContact CA-O 3.26Å; Y109-N117 WeakPolarHBondContact CA-O 3.27Å; K110-N117 HydrophobicContact CB-CB 4.42Å; K110-N117 PolarHBondContact N-O 3.3Å; K110-N117 PolarHBondContact O-N 3.17Å
118I90.6Very high85.5Confident1 Ų166.1 Ų66.11%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-104.4130.5179.6-48.9170.7000108.2L21 V23 I71 L78 F80 P107 V116 V120L21-I118 HydrophobicContact CB-CB 4.19Å; L21-I118 PolarHBondContact N-O 3.34Å; L21-I118 PolarHBondContact O-N 3.46Å; V23-I118 HydrophobicContact CG2-CD1 3.99Å; I71-I118 HydrophobicContact CD1-CD1 3.92Å; I71-I118 HydrophobicContact CD1-CG1 4.03Å; I71-I118 HydrophobicContact CG2-CD1 4.42Å; L78-I118 HydrophobicContact CD2-CD1 4.43Å; F80-I118 HydrophobicContact CD2-CD1 3.85Å; F80-I118 HydrophobicContact CE2-CD1 4.22Å; P107-I118 HydrophobicContact CB-CG2 4.03Å; V116-I118 HydrophobicContact CG1-CG1 3.99Å; I118-V120 HydrophobicContact CG2-CG2 4Å
119T91.8Very high85.4Confident33 Ų3370.8 Ų70.820%0.20234%0.337CS..EExtended strand (participates in β ladder)trans-115.1122.6174.2-52.30000108.4L19 Y20 V108L19-T119 WeakPolarHBondContact O-CA 3.28Å; Y20-T119 HydrophobicContact CD1-CG2 3.87Å; Y20-T119 HydrophobicContact CE1-CG2 3.63Å; V108-T119 PolarHBondContact N-O 3.34Å; V108-T119 PolarHBondContact O-N 3.45Å
120V91.4Very high85.4Confident0 Ų070.9 Ų70.90%034%0.336CS..EExtended strand (participates in β ladder)trans-116.4131.1-178.5-178.20000108.7E18 L19 L21 I73 F99 V103 P107 I118E18-V120 CarbonylContact C-O 3.5Å; E18-V120 WeakPolarHBondContact CA-O 3.11Å; L19-V120 HydrophobicContact CB-CB 4.27Å; L19-V120 PolarHBondContact N-O 3.5Å; L19-V120 PolarHBondContact O-N 3.42Å; L21-V120 HydrophobicContact CD1-CG2 4.43Å; I73-V120 HydrophobicContact CD1-CG1 3.98Å; I73-V120 HydrophobicContact CD1-CG2 4.23Å; F99-V120 HydrophobicContact CE2-CG1 4.44Å; F99-V120 HydrophobicContact CZ-CG1 4.35Å; F99-V120 HydrophobicContact CZ-CG2 4.19Å; V103-V120 HydrophobicContact CB-CG1 3.61Å; V103-V120 HydrophobicContact CG1-CG1 3.82Å; V103-V120 HydrophobicContact CG2-CG1 3.9Å; P107-V120 HydrophobicContact CB-CG2 4.37Å; I118-V120 HydrophobicContact CG2-CG2 4Å
121Q91.1Very high85.5Confident76 Ų7663.8 Ų63.836%0.35531%0.306SS..EExtended strand (participates in β ladder)trans-88.8128.6176.2-68.7-172.39.800110.7K104K104-Q121 HydrophobicContact CB-CB 4.35Å; K104-Q121 HydrophobicContact CD-CB 3.95Å; K104-Q121 HydrophobicContact CG-CB 4.28Å; K104-Q121 PolarHBondContact N-O 2.95Å
122K90.8Very high85.8Confident9 Ų960.7 Ų60.74%0.03929%0.29CS..BIsolated β-bridgetrans-68.9146.8171.7-61.5176.3174.7175.60109.6R15 R17 L19 V124 Q126 W128R15-K122 PolarHBondContact O-NZ 3.08Å; R17-K122 PolarHBondContact O-N 3.28Å; L19-K122 HydrophobicContact CD1-CG 4.32Å; L19-K122 HydrophobicContact CG-CG 4.12Å; K122-V124 VanDerWaalsContact CB-O 3.32Å; K122-V124 WeakPolarHBondContact CB-O 3.27Å; K122-Q126 PolarHBondContact NZ-O 2.92Å; K122-W128 HydrophobicContact CD-CZ2 4.24Å; K122-W128 HydrophobicContact CG-CZ2 3.97Å
123K88Confident86.2Confident143 Ų14363.1 Ų63.162%0.62230%0.295SS*.SBendtrans-73.6-38.9174.7-169.7175-177.9178.70111.5L102L102-K123 HydrophobicContact CB-CB 4.08Å; L102-K123 HydrophobicContact CB-CD 3.97Å; L102-K123 HydrophobicContact CD1-CD 4.09Å; L102-K123 WeakPolarHBondContact O-CB 3.47Å; L102-K123 PolarHBondContact O-N 3.38Å
124V86.4Confident86.8Confident82 Ų8262.7 Ų62.750%0.49729%0.293SS..SBendtrans-114.4138.7174.9-176.10000109.5K122 Q126K122-V124 VanDerWaalsContact CB-O 3.32Å; K122-V124 WeakPolarHBondContact CB-O 3.27Å; V124-Q126 PolarHBondContact O-N 2.88Å
125S85.4Confident87Confident61 Ų6164.8 Ų64.843%0.42731%0.308SS..  trans-77.289.1177.6-175.60000109.8H16 R17H16-S125 CarbonylContact O-C 3.39Å; H16-S125 VanDerWaalsContact O-CA 3.28Å; H16-S125 WeakPolarHBondContact O-CA 3.37Å; R17-S125 WeakPolarHBondContact CG-OG 3.49Å
126Q86.1Confident86.7Confident112 Ų11270.8 Ų70.852%0.52333%0.334SS..  trans-140.5145.6-179-167.1-178.8-47.600111H16 K122 V124H16-Q126 PolarHBondContact O-N 3.49Å; K122-Q126 PolarHBondContact NZ-O 2.92Å; V124-Q126 PolarHBondContact O-N 2.88Å
127W87.3Confident86.3Confident46 Ų4677.5 Ų77.517%0.17436%0.359CS..  trans-71.1133169.7-165.8-105.5000110.6Q14 L149 E151 A154Q14-W127 HydrophobicContact CG-CE3 4.28Å; Q14-W127 HydrophobicContact CG-CH2 3.77Å; Q14-W127 HydrophobicContact CG-CZ2 4.06Å; Q14-W127 HydrophobicContact CG-CZ3 3.89Å; W127-L149 WeakPolarHBondContact CH2-O 3.33Å; W127-E151 HydrophobicContact CB-CG 4.43Å; W127-E151 HydrophobicContact CD2-CB 4.02Å; W127-E151 HydrophobicContact CD2-CG 3.98Å; W127-E151 HydrophobicContact CE3-CB 4.35Å; W127-E151 HydrophobicContact CE3-CG 4.26Å; W127-E151 HydrophobicContact CG-CB 4.42Å; W127-E151 HydrophobicContact CG-CG 4.05Å; W127-E151 HydrophobicContact CH2-CB 4.49Å; W127-E151 HydrophobicContact CZ2-CB 4.16Å; W127-A154 HydrophobicContact CH2-CB 4.36Å; W127-A154 HydrophobicContact CZ3-CB 3.74Å
128W89.3Confident86.1Confident4 Ų477.4 Ų77.42%0.01536%0.36CS..  trans-104.1123.9179.9-66.42.4000109.8Q14 L19 F99 L100 D101 V103 K122 R130 L131Q14-W128 PolarHBondContact NE2-O 3.37Å; L19-W128 HydrophobicContact CD1-CE3 4.01Å; L19-W128 HydrophobicContact CD1-CH2 3.58Å; L19-W128 HydrophobicContact CD1-CZ2 4.33Å; L19-W128 HydrophobicContact CD1-CZ3 3.39Å; L19-W128 HydrophobicContact CD2-CE3 4.09Å; L19-W128 HydrophobicContact CD2-CZ3 4.33Å; L19-W128 HydrophobicContact CG-CZ3 4.45Å; F99-W128 HydrophobicContact CB-CH2 3.93Å; F99-W128 HydrophobicContact CB-CZ3 4Å; F99-W128 HydrophobicContact CD1-CH2 4.47Å; F99-W128 HydrophobicContact CD1-CZ3 4.1Å; F99-W128 HydrophobicContact CG-CH2 4.42Å; F99-W128 HydrophobicContact CG-CZ3 4.41Å; L100-W128 HydrophobicContact CB-CD2 4.39Å; L100-W128 HydrophobicContact CB-CE3 4.04Å; L100-W128 HydrophobicContact CB-CZ3 4.23Å; L100-W128 HydrophobicContact CD2-CB 4.19Å; L100-W128 HydrophobicContact CD2-CG 4.31Å; D101-W128 HydrophobicContact CB-CH2 4.49Å; D101-W128 HydrophobicContact CB-CZ2 3.77Å; D101-W128 WeakPolarHBondContact O-CH2 3.34Å; V103-W128 HydrophobicContact CG1-CH2 3.69Å; V103-W128 HydrophobicContact CG1-CZ2 4.26Å; K122-W128 HydrophobicContact CD-CZ2 4.24Å; K122-W128 HydrophobicContact CG-CZ2 3.97Å; W128-R130 PolarHBondContact O-N 3.36Å; W128-L131 HydrophobicContact CE3-CD1 4.31Å; W128-L131 HydrophobicContact CZ3-CD1 4.21Å
129E85.1Confident85.8Confident185 Ų18585.7 Ų85.786%0.86440%0.403SS*.SBendtrans-65.5-26.7174.6-63.5-179.9178.800112
130R87.1Confident85.6Confident102 Ų10285.9 Ų85.939%0.38540%0.402SS..  trans-147.5152.3177.960.5-176.9-174.2-134.77.4111.6L100 W128 T132 K133L100-R130 HydrophobicContact CD1-CG 4.05Å; L100-R130 HydrophobicContact CD2-CG 4.02Å; L100-R130 VanDerWaalsContact CD2-O 3.31Å; L100-R130 WeakPolarHBondContact CD2-O 3.23Å; W128-R130 PolarHBondContact O-N 3.36Å; R130-T132 WeakPolarHBondContact CD-O 3.45Å; R130-T132 WeakPolarHBondContact CG-O 3.49Å; R130-T132 PolarHBondContact NE-O 3.17Å; R130-K133 PolarHBondContact NH2-O 3.12Å
131L87.2Confident85.5Confident4 Ų486.1 Ų86.12%0.02140%0.403CS..SBendtrans-76.6-40.4178.8-175.468.1000112.9W12 L19 L21 L97 F99 L100 W128 L141W12-L131 HydrophobicContact CB-CD2 3.82Å; W12-L131 HydrophobicContact CD2-CB 3.93Å; W12-L131 HydrophobicContact CD2-CD1 4.36Å; W12-L131 HydrophobicContact CD2-CD2 3.86Å; W12-L131 HydrophobicContact CD2-CG 4.28Å; W12-L131 HydrophobicContact CE3-CB 4.04Å; W12-L131 HydrophobicContact CE3-CD1 3.94Å; W12-L131 HydrophobicContact CE3-CD2 4.28Å; W12-L131 HydrophobicContact CE3-CG 4.32Å; W12-L131 HydrophobicContact CG-CD2 3.64Å; W12-L131 HydrophobicContact CH2-CB 4.18Å; W12-L131 HydrophobicContact CZ2-CB 4.07Å; W12-L131 HydrophobicContact CZ3-CB 4.16Å; W12-L131 HydrophobicContact CZ3-CD1 4.36Å; L19-L131 HydrophobicContact CD1-CD1 4.09Å; L19-L131 HydrophobicContact CD2-CD1 4.05Å; L21-L131 HydrophobicContact CD2-CD2 3.81Å; L97-L131 HydrophobicContact CD2-CD2 3.8Å; L97-L131 HydrophobicContact CD2-CG 4.45Å; F99-L131 WeakPolarHBondContact CA-O 3.3Å; F99-L131 HydrophobicContact CD1-CD1 4.12Å; F99-L131 HydrophobicContact CE1-CD1 4.26Å; L100-L131 PolarHBondContact N-O 2.87Å; W128-L131 HydrophobicContact CE3-CD1 4.31Å; W128-L131 HydrophobicContact CZ3-CD1 4.21Å; L131-L141 HydrophobicContact CB-CD2 4.5Å; L131-L141 HydrophobicContact CD2-CD1 3.89Å; L131-L141 HydrophobicContact CD2-CD2 3.92Å
132T88Confident85.4Confident12 Ų1283.5 Ų83.57%0.07439%0.394CS..BIsolated β-bridgetrans-100.3150.9-174.752.60000112.2L97 E98 R130 Q134 L141L97-T132 HydrophobicContact CD1-CG2 3.43Å; L97-T132 VanDerWaalsContact CD1-CG2 3.43Å; L97-T132 HydrophobicContact CG-CG2 4.29Å; E98-T132 WeakPolarHBondContact O-CA 3.34Å; R130-T132 WeakPolarHBondContact CD-O 3.45Å; R130-T132 WeakPolarHBondContact CG-O 3.49Å; R130-T132 PolarHBondContact NE-O 3.17Å; T132-Q134 VanDerWaalsContact C-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.45Å; T132-Q134 PolarHBondContact OG1-O 2.87Å; T132-L141 HydrophobicContact CG2-CD2 4.33Å
133K84.4Confident85.3Confident119 Ų11984.3 Ų84.352%0.51740%0.4SS..SBendtrans-65.1-33.7172.8-168177.8-179179.80112.7E98 R130E98-K133 HydrophobicContact CG-CB 4.38Å; E98-K133 PolarHBondContact O-N 2.89Å; E98-K133 VanDerWaalsContact OE1-CD 3.25Å; E98-K133 WeakPolarHBondContact OE1-CD 3.43Å; E98-K133 IonicContact OE1-NZ 3.73Å; R130-K133 PolarHBondContact NH2-O 3.12Å
134Q82.1Confident85.4Confident116 Ų11677.7 Ų77.754%0.54237%0.372SS..SBendtrans-68.2140.1177.8-59.4179.810.400111.9T132T132-Q134 VanDerWaalsContact C-N 3.28Å; T132-Q134 PolarHBondContact O-N 3.45Å; T132-Q134 PolarHBondContact OG1-O 2.87Å
135E74.9Confident85.3Confident177 Ų17781.6 Ų81.683%0.82738%0.382SS*.SBendtrans-71.8-34.9178.4-66.4-176.7171.600112.7R137E135-R137 PolarHBondContact O-N 3.47Å
136K77.6Confident85.3Confident176 Ų17684.8 Ų84.877%0.76539%0.394SS*.SBendtrans-83.4116.5177.4-167.7175.1-178178.70109.7
137R78.8Confident85.1Confident141 Ų14183.4 Ų83.453%0.53238%0.384SS..PPolyproline II helixtrans-61.9127.6176176171.6160.3-158.2-19.7111E135 L141 A142E135-R137 PolarHBondContact O-N 3.47Å; R137-L141 PolarHBondContact NE-O 3.44Å; R137-L141 PolarHBondContact NH2-O 3.1Å; R137-A142 VanDerWaalsContact NH2-CA 3.25Å
138P84.3Confident85.1Confident26 Ų2685.6 Ų85.617%0.16939%0.393CS..PPolyproline II helixtrans-60.5141.6173.2-22.332.6000112F140 L141P138-F140 HydrophobicContact CB-CD1 3.75Å; P138-F140 HydrophobicContact CB-CE1 3.37Å; P138-F140 HydrophobicContact CB-CE2 4.44Å; P138-F140 HydrophobicContact CB-CG 4.43Å; P138-F140 HydrophobicContact CB-CZ 3.76Å; P138-F140 HydrophobicContact CG-CE1 4.26Å; P138-F140 HydrophobicContact CG-CZ 4.28Å; P138-F140 PolarHBondContact O-N 3.32Å; P138-L141 HydrophobicContact CB-CB 4.44Å; P138-L141 PolarHBondContact O-N 3.04Å; P138-L141 VanDerWaalsContact O-N 3.14Å
139L84.3Confident84.9Confident175 Ų17587.6 Ų87.692%0.91640%0.403SS*.THydrogen-bonded Turntrans-63.2-25.9-175.5-65.7173.5000113.6
140F87.2Confident85Confident38 Ų3883.3 Ų83.317%0.16739%0.386CS..THydrogen-bonded Turntrans-82.6-12.5-179.865.5-97.7000113.7V10 F95 P138V10-F140 HydrophobicContact CB-CD2 4.32Å; V10-F140 HydrophobicContact CG2-CD2 3.99Å; V10-F140 HydrophobicContact CG2-CE2 4.32Å; V10-F140 PolarHBondContact N-O 3.45Å; F95-F140 HydrophobicContact CB-CE2 4.38Å; F95-F140 HydrophobicContact CB-CZ 4.44Å; F95-F140 HydrophobicContact CD2-CE2 4.18Å; F95-F140 HydrophobicContact CG-CE2 4.41Å; P138-F140 HydrophobicContact CB-CD1 3.75Å; P138-F140 HydrophobicContact CB-CE1 3.37Å; P138-F140 HydrophobicContact CB-CE2 4.44Å; P138-F140 HydrophobicContact CB-CG 4.43Å; P138-F140 HydrophobicContact CB-CZ 3.76Å; P138-F140 HydrophobicContact CG-CE1 4.26Å; P138-F140 HydrophobicContact CG-CZ 4.28Å; P138-F140 PolarHBondContact O-N 3.32Å
141L90.1Very high85Confident5 Ų582.9 Ų82.93%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-95.2133.3-174.7-174.669.8000111V10 W12 L131 T132 R137 P138V10-L141 HydrophobicContact CB-CD1 4.17Å; V10-L141 HydrophobicContact CG1-CD1 4.06Å; V10-L141 CarbonylContact O-C 3.48Å; V10-L141 WeakPolarHBondContact O-CA 3.4Å; W12-L141 HydrophobicContact CB-CD1 4.38Å; W12-L141 HydrophobicContact CG-CD1 4.29Å; L131-L141 HydrophobicContact CB-CD2 4.5Å; L131-L141 HydrophobicContact CD2-CD1 3.89Å; L131-L141 HydrophobicContact CD2-CD2 3.92Å; T132-L141 HydrophobicContact CG2-CD2 4.33Å; R137-L141 PolarHBondContact NE-O 3.44Å; R137-L141 PolarHBondContact NH2-O 3.1Å; P138-L141 HydrophobicContact CB-CB 4.44Å; P138-L141 PolarHBondContact O-N 3.04Å; P138-L141 VanDerWaalsContact O-N 3.14Å
142A89.3Confident84.8Confident21 Ų2186.3 Ų86.317%0.17441%0.413CS..EExtended strand (participates in β ladder)trans-137.7154.2177.800000114V10 Y11 W12 R137V10-A142 PolarHBondContact O-N 2.97Å; Y11-A142 CarbonylContact C-O 3.58Å; Y11-A142 WeakPolarHBondContact CA-O 3.49Å; Y11-A142 HydrophobicContact CD1-CB 3.72Å; Y11-A142 HydrophobicContact CE1-CB 3.82Å; W12-A142 PolarHBondContact N-O 3.16Å; R137-A142 VanDerWaalsContact NH2-CA 3.25Å
143P88.5Confident84.8Confident25 Ų2589.3 Ų89.316%0.16243%0.429CS..EExtended strand (participates in β ladder)trans-68.4136.9171.627.8-32.9000110.5F145 W148P143-F145 HydrophobicContact CG-CE1 4.32Å; P143-F145 HydrophobicContact CG-CE2 3.9Å; P143-F145 HydrophobicContact CG-CZ 3.75Å; P143-F145 PolarHBondContact O-N 3.05Å; P143-W148 HydrophobicContact CB-CE3 3.87Å; P143-W148 HydrophobicContact CB-CZ3 3.82Å
144D89.6Confident84.8Confident5 Ų583.8 Ų83.83%0.02741%0.405CS..  trans-84.190.6172.4-172.7-10.1000109.2W12 A13 R22 D146 R147 W148W12-D144 PolarHBondContact O-N 2.6Å; A13-D144 HydrophobicContact CB-CB 4.16Å; R22-D144 IonicContact CZ-OD1 3.05Å; R22-D144 IonicContact CZ-OD2 2.7Å; R22-D144 VanDerWaalsContact CZ-OD2 3.28Å; R22-D144 IonicContact NE-OD1 3.74Å; R22-D144 IonicContact NE-OD2 3.57Å; R22-D144 PolarHBondContact NE-OD2 3.38Å; R22-D144 VanDerWaalsContact NH2-CG 3.27Å; R22-D144 IonicContact NH2-OD1 3.28Å; R22-D144 PolarHBondContact NH2-OD1 3.07Å; R22-D144 IonicContact NH2-OD2 2.73Å; R22-D144 PolarHBondContact NH2-OD2 3.49Å; D144-D146 PolarHBondContact O-N 3.32Å; D144-D146 WeakPolarHBondContact OD1-CB 3.43Å; D144-D146 PolarHBondContact OD1-N 3.12Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.16Å; D144-W148 WeakPolarHBondContact O-CB 3.43Å; D144-W148 PolarHBondContact O-N 3.13Å
145F85.1Confident85Confident164 Ų16481.5 Ų81.572%0.71939%0.394SS*.THydrogen-bonded Turntrans-60.6-26.8-178.6-68.6-73.9000113.5P143 R147P143-F145 HydrophobicContact CG-CE1 4.32Å; P143-F145 HydrophobicContact CG-CE2 3.9Å; P143-F145 HydrophobicContact CG-CZ 3.75Å; P143-F145 PolarHBondContact O-N 3.05Å; F145-R147 PolarHBondContact O-N 3.01Å
146D84.3Confident85.5Confident127 Ų12779.4 Ų79.468%0.67939%0.386SS*.THydrogen-bonded Turntrans-69.1-26.5179.9-59.8-27.5000112.2R22 D144R22-D146 IonicContact CZ-OD2 3.48Å; R22-D146 IonicContact NH1-OD2 3.96Å; R22-D146 PolarHBondContact NH1-OD2 2.94Å; R22-D146 IonicContact NH2-OD2 2.85Å; R22-D146 PolarHBondContact NH2-OD2 3.49Å; R22-D146 VanDerWaalsContact NH2-OD2 3.09Å; D144-D146 PolarHBondContact O-N 3.32Å; D144-D146 WeakPolarHBondContact OD1-CB 3.43Å; D144-D146 PolarHBondContact OD1-N 3.12Å
147R83.9Confident86Confident84 Ų8474.3 Ų74.332%0.31737%0.365SS..THydrogen-bonded Turntrans-114.9-3.2-177.3-66.1-174.1-179.6-161.95113.2A13 R15 D144 F145 L149A13-R147 HydrophobicContact CB-CB 3.78Å; R15-R147 PolarHBondContact NH1-O 3.01Å; R15-R147 PolarHBondContact NH2-O 3.22Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.16Å; F145-R147 PolarHBondContact O-N 3.01Å; R147-L149 PolarHBondContact O-N 3.41Å
148W86.2Confident86.3Confident92 Ų9269.8 Ų69.835%0.34835%0.351SS..  trans-62.3130.4-178-165.4-89.6000110.1W12 P143 D144 D150W12-W148 HydrophobicContact CH2-CH2 4.21Å; W12-W148 HydrophobicContact CH2-CZ3 4.3Å; W12-W148 HydrophobicContact CZ2-CH2 4.15Å; W12-W148 HydrophobicContact CZ2-CZ3 4.13Å; P143-W148 HydrophobicContact CB-CE3 3.87Å; P143-W148 HydrophobicContact CB-CZ3 3.82Å; D144-W148 WeakPolarHBondContact O-CB 3.43Å; D144-W148 PolarHBondContact O-N 3.13Å; W148-D150 PolarHBondContact NE1-OD1 3.23Å
149L85.4Confident86.4Confident45 Ų4576.1 Ų76.124%0.23637%0.372CS..  trans-131149.6167.9-73.4-176.3000107.1R15 W127 R147 D153 A154R15-L149 VanDerWaalsContact CZ-CG 3.5Å; W127-L149 WeakPolarHBondContact CH2-O 3.33Å; R147-L149 PolarHBondContact O-N 3.41Å; L149-D153 HydrophobicContact CB-CB 4.3Å; L149-D153 HydrophobicContact CD1-CB 4.47Å; L149-D153 HydrophobicContact CD2-CB 4.1Å; L149-A154 HydrophobicContact CB-CB 4.45Å
150D87.7Confident86.6Confident95 Ų9570.4 Ų70.451%0.50835%0.35SS..  trans-79.1164.8168.6-65.1-24.6000110.2W148 S152 D153 A154W148-D150 PolarHBondContact NE1-OD1 3.23Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.49Å; D150-D153 PolarHBondContact O-N 3.05Å; D150-A154 PolarHBondContact O-N 3.46Å
151E85.8Confident86.7Confident94 Ų9474.4 Ų74.444%0.43937%0.367SS..Hα-helixtrans-55.6-44.4-175-174.5173.1-160.200111.9W127 D153 A154 E155W127-E151 HydrophobicContact CB-CG 4.43Å; W127-E151 HydrophobicContact CD2-CB 4.02Å; W127-E151 HydrophobicContact CD2-CG 3.98Å; W127-E151 HydrophobicContact CE3-CB 4.35Å; W127-E151 HydrophobicContact CE3-CG 4.26Å; W127-E151 HydrophobicContact CG-CB 4.42Å; W127-E151 HydrophobicContact CG-CG 4.05Å; W127-E151 HydrophobicContact CH2-CB 4.49Å; W127-E151 HydrophobicContact CZ2-CB 4.16Å; E151-D153 PolarHBondContact O-N 3.19Å; E151-A154 PolarHBondContact O-N 3.05Å; E151-E155 WeakPolarHBondContact O-CG 3.4Å; E151-E155 PolarHBondContact O-N 2.81Å
152S84.3Confident86.5Confident75 Ų7578.7 Ų78.752%0.52439%0.387SS..Hα-helixtrans-60.7-40.6179.157.60000113.4D150 E155 M156D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 3.49Å; S152-E155 PolarHBondContact O-N 3.33Å; S152-M156 PolarHBondContact O-N 2.87Å
153D87.9Confident86.5Confident76 Ų7683.6 Ų83.641%0.40641%0.406SS..Hα-helixtrans-74.4-39.7-177.3-67.7-4.3000110.4L149 D150 E151 E155 M156 E157L149-D153 HydrophobicContact CB-CB 4.3Å; L149-D153 HydrophobicContact CD1-CB 4.47Å; L149-D153 HydrophobicContact CD2-CB 4.1Å; D150-D153 PolarHBondContact O-N 3.05Å; E151-D153 PolarHBondContact O-N 3.19Å; D153-E155 VanDerWaalsContact C-N 3.29Å; D153-E155 PolarHBondContact O-N 3.18Å; D153-M156 PolarHBondContact O-N 3.25Å; D153-E157 PolarHBondContact O-N 3.44Å
154A84.5Confident86.4Confident3 Ų387.2 Ų87.23%0.02542%0.421CS..Hα-helixtrans-65.9-30.8173.500000112.5H16 W127 L149 D150 E151 L158H16-A154 PolarHBondContact ND1-O 3.2Å; W127-A154 HydrophobicContact CH2-CB 4.36Å; W127-A154 HydrophobicContact CZ3-CB 3.74Å; L149-A154 HydrophobicContact CB-CB 4.45Å; D150-A154 PolarHBondContact O-N 3.46Å; E151-A154 PolarHBondContact O-N 3.05Å; A154-L158 PolarHBondContact O-N 2.8Å
155E86.4Confident86.3Confident67 Ų6795.5 Ų95.531%0.31345%0.452SS..Hα-helixtrans-69.1-45171.6-81.6-164-166.500111.3H16 E151 S152 D153 E157 L158 R159H16-E155 WeakPolarHBondContact CE1-CG 3.46Å; H16-E155 PolarHBondContact CE1-N 3.24Å; H16-E155 VanDerWaalsContact CE1-N 3.32Å; H16-E155 WeakPolarHBondContact NE2-CG 3.43Å; E151-E155 WeakPolarHBondContact O-CG 3.4Å; E151-E155 PolarHBondContact O-N 2.81Å; S152-E155 PolarHBondContact O-N 3.33Å; D153-E155 VanDerWaalsContact C-N 3.29Å; D153-E155 PolarHBondContact O-N 3.18Å; E155-E157 VanDerWaalsContact C-N 3.32Å; E155-E157 PolarHBondContact O-N 3.31Å; E155-L158 PolarHBondContact O-N 3.23Å; E155-L158 VanDerWaalsContact O-N 3.17Å; E155-R159 WeakPolarHBondContact O-CG 3.27Å; E155-R159 PolarHBondContact O-N 3.3Å; E155-R159 IonicContact OE2-CZ 3.31Å; E155-R159 IonicContact OE2-NH2 3.17Å; E155-R159 PolarHBondContact OE2-NH2 3.26Å
156M84.9Confident86.3Confident133 Ų13391.6 Ų91.666%0.65544%0.438SS*.Hα-helixtrans-60-43.5178.7-171.9-179.4-63.700111.3S152 D153 L158 R159 A160S152-M156 PolarHBondContact O-N 2.87Å; D153-M156 PolarHBondContact O-N 3.25Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.41Å; M156-R159 PolarHBondContact O-N 2.99Å; M156-A160 WeakPolarHBondContact O-CB 3.3Å; M156-A160 PolarHBondContact O-N 3.32Å
157E86.9Confident86.3Confident69 Ų6988.8 Ų88.832%0.32242%0.423SS..Hα-helixtrans-61.1-39.1176.2-162.9-167152.800112R15 D153 E155 K161R15-E157 IonicContact NE-OE2 2.89Å; R15-E157 PolarHBondContact NE-OE2 3.45Å; D153-E157 PolarHBondContact O-N 3.44Å; E155-E157 VanDerWaalsContact C-N 3.32Å; E155-E157 PolarHBondContact O-N 3.31Å; E157-K161 WeakPolarHBondContact O-CG 3.4Å; E157-K161 PolarHBondContact O-N 2.79Å; E157-K161 VanDerWaalsContact O-N 3.1Å; E157-K161 WeakPolarHBondContact OE1-CE 3.36Å; E157-K161 IonicContact OE1-NZ 3.43Å; E157-K161 PolarHBondContact OE1-NZ 3Å
158L85.6Confident86.2Confident47 Ų4790.1 Ų90.125%0.24643%0.431CS..Hα-helixtrans-66.8-46.9177.4-175.7129.3000111.4H16 A154 E155 M156 A160 K161 E162H16-L158 HydrophobicContact CB-CD1 4.06Å; A154-L158 PolarHBondContact O-N 2.8Å; E155-L158 PolarHBondContact O-N 3.23Å; E155-L158 VanDerWaalsContact O-N 3.17Å; M156-L158 VanDerWaalsContact C-N 3.31Å; M156-L158 PolarHBondContact O-N 3.41Å; L158-A160 VanDerWaalsContact C-N 3.35Å; L158-A160 PolarHBondContact O-N 2.84Å; L158-K161 PolarHBondContact O-N 2.75Å; L158-E162 WeakPolarHBondContact O-CG 3.36Å; L158-E162 PolarHBondContact O-N 3.49Å
159R87.2Confident86Confident159 Ų15990.2 Ų90.260%0.644%0.438SS*.Hα-helixtrans-61-43.6177.1-67.9-178.9-162.2-172.68.7111.5E155 M156 K161 E162 E163E155-R159 WeakPolarHBondContact O-CG 3.27Å; E155-R159 PolarHBondContact O-N 3.3Å; E155-R159 IonicContact OE2-CZ 3.31Å; E155-R159 IonicContact OE2-NH2 3.17Å; E155-R159 PolarHBondContact OE2-NH2 3.26Å; M156-R159 PolarHBondContact O-N 2.99Å; R159-K161 PolarHBondContact O-N 3.02Å; R159-E162 PolarHBondContact O-N 3.41Å; R159-E163 WeakPolarHBondContact O-CB 3.4Å; R159-E163 PolarHBondContact O-N 3.4Å
160A88.8Confident85.6Confident55 Ų5594.6 Ų94.646%0.45545%0.451SS..Hα-helixtrans-60.9-43.7177.800000112.2M156 L158 E163 E164M156-A160 WeakPolarHBondContact O-CB 3.3Å; M156-A160 PolarHBondContact O-N 3.32Å; L158-A160 VanDerWaalsContact C-N 3.35Å; L158-A160 PolarHBondContact O-N 2.84Å; A160-E163 PolarHBondContact O-N 3.42Å; A160-E164 WeakPolarHBondContact O-CB 3.5Å; A160-E164 PolarHBondContact O-N 3.48Å
161K87.7Confident84.7Confident121 Ų12195.9 Ų95.953%0.52646%0.458SS..Hα-helixtrans-65.2-37.9175.8-75.8176.4-179.5170.30112.7E157 L158 R159 R165E157-K161 WeakPolarHBondContact O-CG 3.4Å; E157-K161 PolarHBondContact O-N 2.79Å; E157-K161 VanDerWaalsContact O-N 3.1Å; E157-K161 WeakPolarHBondContact OE1-CE 3.36Å; E157-K161 IonicContact OE1-NZ 3.43Å; E157-K161 PolarHBondContact OE1-NZ 3Å; L158-K161 PolarHBondContact O-N 2.75Å; R159-K161 PolarHBondContact O-N 3.02Å; K161-R165 WeakPolarHBondContact O-CB 3.22Å; K161-R165 PolarHBondContact O-N 2.94Å; K161-R165 VanDerWaalsContact O-N 3.07Å
162E87.5Confident83.9Confident96 Ų9698.6 Ų98.645%0.44947%0.47SS..Hα-helixtrans-68.5-42176.6-74.1-179168.600111.8R17 L158 R159 R165 L166R17-E162 IonicContact NH2-OE1 2.75Å; R17-E162 PolarHBondContact NH2-OE1 3.08Å; L158-E162 WeakPolarHBondContact O-CG 3.36Å; L158-E162 PolarHBondContact O-N 3.49Å; R159-E162 PolarHBondContact O-N 3.41Å; E162-R165 PolarHBondContact O-N 3.14Å; E162-L166 WeakPolarHBondContact O-CB 3.44Å; E162-L166 PolarHBondContact O-N 3.06Å
163E87.6Confident83.1Confident123 Ų12399.5 Ų99.558%0.57548%0.477SS*.Hα-helixtrans-63.9-42.8174.8-172.5175.8-173.100111.8R159 A160 R165 L166 N167R159-E163 WeakPolarHBondContact O-CB 3.4Å; R159-E163 PolarHBondContact O-N 3.4Å; A160-E163 PolarHBondContact O-N 3.42Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.46Å; E163-L166 PolarHBondContact O-N 2.96Å; E163-N167 WeakPolarHBondContact O-CB 3.07Å; E163-N167 PolarHBondContact O-N 2.94Å
164E87.4Confident81.8Confident101 Ų101102.8 Ų102.847%0.47249%0.49SS..Hα-helixtrans-60.9-43.3175.3-165.7-165.4155.400111.5A160 N167 K168A160-E164 WeakPolarHBondContact O-CB 3.5Å; A160-E164 PolarHBondContact O-N 3.48Å; E164-N167 PolarHBondContact O-N 3.08Å; E164-K168 WeakPolarHBondContact O-CG 3.31Å; E164-K168 PolarHBondContact O-N 2.89Å; E164-K168 VanDerWaalsContact OE1-CE 3.23Å; E164-K168 WeakPolarHBondContact OE1-CE 3.49Å; E164-K168 IonicContact OE1-NZ 3.85Å; E164-K168 PolarHBondContact OE1-NZ 3.22Å
165R86.4Confident80.6Confident180 Ų180105.1 Ų105.168%0.67951%0.514SS*.Hα-helixtrans-63.9-43.1175.9-177-176.7-80.1-167.2-6.3111.3K161 E162 E163 N167 K168 L169K161-R165 WeakPolarHBondContact O-CB 3.22Å; K161-R165 PolarHBondContact O-N 2.94Å; K161-R165 VanDerWaalsContact O-N 3.07Å; E162-R165 PolarHBondContact O-N 3.14Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.46Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-K168 PolarHBondContact O-N 3.12Å; R165-L169 HydrophobicContact CG-CD1 4.28Å; R165-L169 WeakPolarHBondContact O-CG 3.13Å; R165-L169 PolarHBondContact O-N 3.33Å
166L85.9Confident79.6Confident81 Ų81104.2 Ų104.242%0.42452%0.515SS..Hα-helixtrans-63-41.5177.4-177.662.8000111.4E162 E163 L169 R170E162-L166 WeakPolarHBondContact O-CB 3.44Å; E162-L166 PolarHBondContact O-N 3.06Å; E163-L166 PolarHBondContact O-N 2.96Å; L166-L169 PolarHBondContact O-N 3.34Å; L166-R170 WeakPolarHBondContact O-CG 3.36Å; L166-R170 PolarHBondContact O-N 2.95Å
167N83.4Confident78.8Confident68 Ų68102.2 Ų102.236%0.36451%0.512SS..Hα-helixtrans-63.5-41.8175.9-77.2-21.9000111.8E163 E164 R165 R170 L171E163-N167 WeakPolarHBondContact O-CB 3.07Å; E163-N167 PolarHBondContact O-N 2.94Å; E164-N167 PolarHBondContact O-N 3.08Å; R165-N167 VanDerWaalsContact C-N 3.33Å; N167-R170 PolarHBondContact O-N 2.74Å; N167-L171 WeakPolarHBondContact O-CB 3.4Å; N167-L171 WeakPolarHBondContact O-CD1 3.19Å; N167-L171 WeakPolarHBondContact O-CG 3.4Å; N167-L171 PolarHBondContact O-N 2.83Å
168K83.7Confident78.2Confident112 Ų112105.5 Ų105.549%0.48753%0.527SS..Hα-helixtrans-59.9-45.6173.7-73.7175.8-174.4169.10112E164 R165 R170 L171 E172E164-K168 WeakPolarHBondContact O-CG 3.31Å; E164-K168 PolarHBondContact O-N 2.89Å; E164-K168 VanDerWaalsContact OE1-CE 3.23Å; E164-K168 WeakPolarHBondContact OE1-CE 3.49Å; E164-K168 IonicContact OE1-NZ 3.85Å; E164-K168 PolarHBondContact OE1-NZ 3.22Å; R165-K168 PolarHBondContact O-N 3.12Å; K168-R170 PolarHBondContact O-N 3.44Å; K168-L171 PolarHBondContact O-N 3.36Å; K168-E172 WeakPolarHBondContact O-CG 3.32Å; K168-E172 PolarHBondContact O-N 3.16Å
169L80.7Confident78Confident94 Ų94106.8 Ų106.849%0.49254%0.537SS..Hα-helixtrans-64.3-39.5177.2-69.8170.4000112.4R165 L166 E172 S173R165-L169 HydrophobicContact CG-CD1 4.28Å; R165-L169 WeakPolarHBondContact O-CG 3.13Å; R165-L169 PolarHBondContact O-N 3.33Å; L166-L169 PolarHBondContact O-N 3.34Å; L169-E172 PolarHBondContact O-N 2.99Å; L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.4Å; L169-S173 PolarHBondContact O-OG 3.03Å
170R77.2Confident77.7Confident137 Ų137105.1 Ų105.152%0.51754%0.54SS..Hα-helixtrans-61.3-48.3174.7-76.6177179174.1-0.4111.3L166 N167 K168 E172 S173 E174L166-R170 WeakPolarHBondContact O-CG 3.36Å; L166-R170 PolarHBondContact O-N 2.95Å; N167-R170 PolarHBondContact O-N 2.74Å; K168-R170 PolarHBondContact O-N 3.44Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 3.41Å; R170-S173 PolarHBondContact O-N 3.35Å; R170-S173 VanDerWaalsContact O-N 3.12Å; R170-S173 PolarHBondContact O-OG 3.3Å; R170-E174 PolarHBondContact O-N 3.41Å
171L68.9Low77.4Confident122 Ų122105.7 Ų105.764%0.63954%0.538SS*.Hα-helixtrans-60.6-32.2176.1-79.9156.3000113.3N167 K168 E174N167-L171 WeakPolarHBondContact O-CB 3.4Å; N167-L171 WeakPolarHBondContact O-CD1 3.19Å; N167-L171 WeakPolarHBondContact O-CG 3.4Å; N167-L171 PolarHBondContact O-N 2.83Å; K168-L171 PolarHBondContact O-N 3.36Å; L171-E174 VanDerWaalsContact O-O 3.13Å
172E69.7Low77.3Confident151 Ų151104.7 Ų104.771%0.70654%0.538SS*.Hα-helixtrans-75.8-34.8174.1-75.4175-179.800112.5K168 L169 R170K168-E172 WeakPolarHBondContact O-CG 3.32Å; K168-E172 PolarHBondContact O-N 3.16Å; L169-E172 PolarHBondContact O-N 2.99Å; R170-E172 VanDerWaalsContact C-N 3.27Å; R170-E172 PolarHBondContact O-N 3.41Å
173S66.5Low77.2Confident95 Ų95106 Ų10666%0.66455%0.548SS*.Hα-helixtrans-80.4-36.6-178.570.80000113.9L169 R170 G175L169-S173 WeakPolarHBondContact O-CB 3.43Å; L169-S173 PolarHBondContact O-N 3.4Å; L169-S173 PolarHBondContact O-OG 3.03Å; R170-S173 PolarHBondContact O-N 3.35Å; R170-S173 VanDerWaalsContact O-N 3.12Å; R170-S173 PolarHBondContact O-OG 3.3Å; S173-G175 PolarHBondContact O-N 2.72Å; S173-G175 VanDerWaalsContact O-N 3.13Å
174E60.6Low77.2Confident145 Ų145105.7 Ų105.768%0.67854%0.541SS*.SBendtrans-80.588.6168.6-68.9-174.9159.400106.7R170 L171 S176R170-E174 PolarHBondContact O-N 3.41Å; L171-E174 VanDerWaalsContact O-O 3.13Å; E174-S176 PolarHBondContact O-N 2.89Å
175G59.6Low77.2Confident52 Ų52104.6 Ų104.654%0.53654%0.535SS..  trans-40.5132-178.300000111.7S173S173-G175 PolarHBondContact O-N 2.72Å; S173-G175 VanDerWaalsContact O-N 3.13Å
176S64.9Low77.4Confident47 Ų4797.7 Ų97.733%0.32952%0.519SS..  trans-37.9125-165.2170.30000112E174 E178 T179 L180E174-S176 PolarHBondContact O-N 2.89Å; S176-E178 PolarHBondContact O-N 3.12Å; S176-E178 WeakPolarHBondContact OG-CB 3.25Å; S176-E178 PolarHBondContact OG-N 3.34Å; S176-T179 PolarHBondContact O-N 3.49Å; S176-T179 PolarHBondContact O-OG1 2.97Å; S176-L180 PolarHBondContact O-N 3.19Å
177P68.4Low77.6Confident92 Ų9298.8 Ų98.860%0.59752%0.518SS*.Hα-helixtrans-54.3-24179.621.4-32.9000112T181P177-T181 VanDerWaalsContact O-CB 3.32Å; P177-T181 WeakPolarHBondContact O-CB 3.36Å; P177-T181 PolarHBondContact O-N 3.48Å; P177-T181 PolarHBondContact O-OG1 3.24Å
178E75.4Confident77.9Confident137 Ų13796.7 Ų96.764%0.6451%0.507SS*.Hα-helixtrans-69.2-40.1173.4-54.2-175.316300112.8S176 T181 N182S176-E178 PolarHBondContact O-N 3.12Å; S176-E178 WeakPolarHBondContact OG-CB 3.25Å; S176-E178 PolarHBondContact OG-N 3.34Å; E178-T181 PolarHBondContact O-N 3.45Å; E178-N182 WeakPolarHBondContact O-CB 3.47Å; E178-N182 PolarHBondContact O-N 2.94Å; E178-N182 PolarHBondContact O-ND2 3.12Å; E178-N182 VanDerWaalsContact O-ND2 3.16Å
179T80.8Confident78.3Confident74 Ų7494 Ų9445%0.45450%0.496SS..Hα-helixtrans-68.1-42.2177.760.10000111S176 T181 N182 L183S176-T179 PolarHBondContact O-N 3.49Å; S176-T179 PolarHBondContact O-OG1 2.97Å; T179-T181 VanDerWaalsContact C-N 3.31Å; T179-T181 PolarHBondContact O-N 3.29Å; T179-N182 PolarHBondContact O-N 3.41Å; T179-L183 WeakPolarHBondContact O-CB 3.25Å; T179-L183 VanDerWaalsContact O-CG 3.26Å; T179-L183 WeakPolarHBondContact O-CG 2.82Å; T179-L183 PolarHBondContact O-N 3.16Å
180L80.1Confident78.9Confident124 Ų12494.9 Ų94.965%0.64950%0.499SS*.Hα-helixtrans-60.4-42.1172.9-171.283000111.4S176 L183 R184S176-L180 PolarHBondContact O-N 3.19Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 PolarHBondContact O-N 2.85Å
181T82.1Confident79.6Confident68 Ų6889.3 Ų89.342%0.41748%0.478SS..Hα-helixtrans-65-41.4177.8-59.40000111.4P177 E178 T179 R184 K185P177-T181 VanDerWaalsContact O-CB 3.32Å; P177-T181 WeakPolarHBondContact O-CB 3.36Å; P177-T181 PolarHBondContact O-N 3.48Å; P177-T181 PolarHBondContact O-OG1 3.24Å; E178-T181 PolarHBondContact O-N 3.45Å; T179-T181 VanDerWaalsContact C-N 3.31Å; T179-T181 PolarHBondContact O-N 3.29Å; T181-R184 PolarHBondContact O-N 3.38Å; T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 2.96Å
182N85.6Confident80.7Confident99 Ų9984 Ų8453%0.52945%0.45SS..Hα-helixtrans-67.7-40.2177.1-70-22.9000111.9E178 T179 K185 G186E178-N182 WeakPolarHBondContact O-CB 3.47Å; E178-N182 PolarHBondContact O-N 2.94Å; E178-N182 PolarHBondContact O-ND2 3.12Å; E178-N182 VanDerWaalsContact O-ND2 3.16Å; T179-N182 PolarHBondContact O-N 3.41Å; N182-K185 PolarHBondContact O-N 2.91Å; N182-G186 PolarHBondContact O-N 2.78Å
183L87Confident81.8Confident125 Ų12579.1 Ų79.165%0.65443%0.429SS*.Hα-helixtrans-63.4-42.6173.3-72.4172.3000111.5T179 L180 G186 Y187T179-L183 WeakPolarHBondContact O-CB 3.25Å; T179-L183 VanDerWaalsContact O-CG 3.26Å; T179-L183 WeakPolarHBondContact O-CG 2.82Å; T179-L183 PolarHBondContact O-N 3.16Å; L180-L183 PolarHBondContact O-N 3.34Å; L183-G186 PolarHBondContact O-N 3.47Å; L183-Y187 WeakPolarHBondContact O-CB 3.39Å; L183-Y187 PolarHBondContact O-N 3.17Å
184R86.8Confident83.2Confident115 Ų11577.7 Ų77.743%0.43442%0.415SS..Hα-helixtrans-60.9-46.2173.9177.2179.5173.3-179.7-1.3111.6L180 T181 Y187 L188 G246 V247L180-R184 WeakPolarHBondContact O-CB 3.46Å; L180-R184 PolarHBondContact O-N 2.85Å; T181-R184 PolarHBondContact O-N 3.38Å; R184-Y187 PolarHBondContact O-N 3.41Å; R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 WeakPolarHBondContact O-CB 3.44Å; R184-L188 WeakPolarHBondContact O-CG 3.5Å; R184-L188 PolarHBondContact O-N 3.24Å; R184-G246 PolarHBondContact NH2-O 3Å; R184-V247 HydrophobicContact CG-CG1 4.16Å; R184-V247 VanDerWaalsContact CZ-O 3.25Å; R184-V247 PolarHBondContact NE-O 3.2Å; R184-V247 VanDerWaalsContact NE-O 3.12Å; R184-V247 PolarHBondContact NH2-O 3.21Å
185K87.8Confident84.8Confident79 Ų7970.8 Ų70.834%0.34338%0.383SS..Hα-helixtrans-60.7-45.2175.7-77.4-172.6176.7-169.90111.2T181 N182 L188 F189 D306T181-K185 WeakPolarHBondContact O-CG 3.44Å; T181-K185 PolarHBondContact O-N 2.96Å; N182-K185 PolarHBondContact O-N 2.91Å; K185-L188 PolarHBondContact O-N 3.35Å; K185-F189 WeakPolarHBondContact O-CB 3.36Å; K185-F189 PolarHBondContact O-N 3.01Å; K185-D306 IonicContact NZ-OD1 3.34Å; K185-D306 IonicContact NZ-OD2 3.09Å; K185-D306 PolarHBondContact NZ-OD2 3.35Å
186G90Very high86.4Confident34 Ų3470.8 Ų70.835%0.35137%0.369SS..Hα-helixtrans-62.8-45.4177.900000113.1N182 L183 F189 M190N182-G186 PolarHBondContact O-N 2.78Å; L183-G186 PolarHBondContact O-N 3.47Å; G186-F189 PolarHBondContact O-N 3.31Å; G186-M190 WeakPolarHBondContact O-CG 3.26Å; G186-M190 PolarHBondContact O-N 2.8Å
187Y91Very high87.9Confident104 Ų10473.3 Ų73.341%0.40838%0.378SS..Hα-helixtrans-58.9-49.7174.4165.4-100.3000111.8L183 R184 F189 M190 Y191 V238 N242L183-Y187 WeakPolarHBondContact O-CB 3.39Å; L183-Y187 PolarHBondContact O-N 3.17Å; R184-Y187 PolarHBondContact O-N 3.41Å; Y187-F189 VanDerWaalsContact C-N 3.3Å; Y187-F189 PolarHBondContact O-N 3.43Å; Y187-M190 PolarHBondContact O-N 3.19Å; Y187-Y191 WeakPolarHBondContact O-CB 3.47Å; Y187-Y191 PolarHBondContact O-N 2.71Å; Y187-V238 WeakPolarHBondContact OH-CG1 3.47Å; Y187-N242 PolarHBondContact OH-ND2 2.63Å; Y187-N242 VanDerWaalsContact OH-ND2 3.1Å
188L89.9Confident89.2Confident25 Ų2569 Ų6913%0.13135%0.35CS..Hα-helixtrans-62.8-38.5178.3-72.6170.8000111.5R184 K185 N192 V247 T248R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 WeakPolarHBondContact O-CB 3.44Å; R184-L188 WeakPolarHBondContact O-CG 3.5Å; R184-L188 PolarHBondContact O-N 3.24Å; K185-L188 PolarHBondContact O-N 3.35Å; L188-N192 WeakPolarHBondContact O-CB 3.31Å; L188-N192 VanDerWaalsContact O-CG 3.29Å; L188-N192 PolarHBondContact O-N 3.29Å; L188-N192 PolarHBondContact O-ND2 3.41Å; L188-V247 HydrophobicContact CD1-CG1 4.43Å; L188-V247 HydrophobicContact CD2-CG1 4.32Å; L188-T248 HydrophobicContact CD1-CG2 4.47Å; L188-T248 HydrophobicContact CD2-CG2 3.9Å
189F91.9Very high90.1Very high55 Ų5562.4 Ų62.424%0.24132%0.319CS..Hα-helixtrans-62.5-51.1176.1178.2-98.3000111.7K185 G186 Y187 Y191 N192 L193 M301 C304 I305K185-F189 WeakPolarHBondContact O-CB 3.36Å; K185-F189 PolarHBondContact O-N 3.01Å; G186-F189 PolarHBondContact O-N 3.31Å; Y187-F189 VanDerWaalsContact C-N 3.3Å; Y187-F189 PolarHBondContact O-N 3.43Å; F189-Y191 VanDerWaalsContact C-N 3.33Å; F189-Y191 PolarHBondContact O-N 3.17Å; F189-N192 PolarHBondContact O-N 2.87Å; F189-L193 HydrophobicContact CE1-CD2 4.37Å; F189-L193 WeakPolarHBondContact O-CB 3.39Å; F189-L193 PolarHBondContact O-N 2.94Å; F189-M301 HydrophobicContact CD2-CB 4.27Å; F189-M301 HydrophobicContact CE2-CB 4.07Å; F189-M301 HydrophobicContact CE2-CE 3.84Å; F189-M301 HydrophobicContact CE2-CG 4.4Å; F189-M301 HydrophobicContact CZ-CE 3.99Å; F189-C304 HydrophobicContact CB-CB 4.07Å; F189-C304 HydrophobicContact CD2-CB 4.27Å; F189-I305 HydrophobicContact CD2-CD1 4.09Å; F189-I305 HydrophobicContact CD2-CG1 4.1Å; F189-I305 HydrophobicContact CE2-CD1 3.46Å; F189-I305 VanDerWaalsContact CE2-CD1 3.46Å; F189-I305 HydrophobicContact CE2-CG1 3.99Å; F189-I305 HydrophobicContact CZ-CD1 4.1Å
190M91.7Very high90.8Very high112 Ų11260.6 Ų60.655%0.55231%0.31SS*.Hα-helixtrans-61.3-41.9178.9-71-62.4-74.900111.9G186 Y187 L193 V194G186-M190 WeakPolarHBondContact O-CG 3.26Å; G186-M190 PolarHBondContact O-N 2.8Å; Y187-M190 PolarHBondContact O-N 3.19Å; M190-L193 WeakPolarHBondContact O-CB 3.41Å; M190-L193 PolarHBondContact O-N 3.4Å; M190-L193 HydrophobicContact SD-CD2 4.32Å; M190-V194 WeakPolarHBondContact O-CG2 3.44Å; M190-V194 PolarHBondContact O-N 3.26Å
191Y91.9Very high91.5Very high20 Ų2060.2 Ų60.28%0.07830%0.3CS..Hα-helixtrans-58-51.7174.5172.9-93000111.8Y187 F189 L193 V194 Q195 L235 V238 E239 Y297Y187-Y191 WeakPolarHBondContact O-CB 3.47Å; Y187-Y191 PolarHBondContact O-N 2.71Å; F189-Y191 VanDerWaalsContact C-N 3.33Å; F189-Y191 PolarHBondContact O-N 3.17Å; Y191-L193 VanDerWaalsContact C-N 3.27Å; Y191-L193 PolarHBondContact O-N 2.66Å; Y191-V194 PolarHBondContact O-N 3.05Å; Y191-Q195 HydrophobicContact CE1-CG 3.99Å; Y191-Q195 HydrophobicContact CE2-CG 4.33Å; Y191-Q195 PolarHBondContact O-N 2.93Å; Y191-Q195 VanDerWaalsContact O-N 3.11Å; Y191-Q195 PolarHBondContact OH-NE2 2.95Å; Y191-Q195 VanDerWaalsContact OH-NE2 3.1Å; Y191-L235 HydrophobicContact CE2-CB 4.29Å; Y191-L235 WeakPolarHBondContact CE2-O 3.3Å; Y191-L235 PolarHBondContact OH-O 3.41Å; Y191-V238 HydrophobicContact CE2-CB 4.18Å; Y191-V238 HydrophobicContact CE2-CG1 4.44Å; Y191-E239 HydrophobicContact CE1-CB 4.33Å; Y191-E239 WeakPolarHBondContact OH-CB 3.34Å; Y191-Y297 HydrophobicContact CE1-CE1 4.34Å
192N92.5Very high92.1Very high11 Ų1157 Ų576%0.05928%0.28CS..Hα-helixtrans-66-32.2-179.6-71-54.7000111.9L188 F189 F196 Y297 M301L188-N192 WeakPolarHBondContact O-CB 3.31Å; L188-N192 VanDerWaalsContact O-CG 3.29Å; L188-N192 PolarHBondContact O-N 3.29Å; L188-N192 PolarHBondContact O-ND2 3.41Å; F189-N192 PolarHBondContact O-N 2.87Å; N192-F196 VanDerWaalsContact O-CB 3.28Å; N192-F196 WeakPolarHBondContact O-CB 3.41Å; N192-F196 PolarHBondContact O-N 3.4Å; N192-Y297 HydrophobicContact CB-CD1 4.45Å; N192-Y297 WeakPolarHBondContact OD1-CD1 3.37Å; N192-M301 HydrophobicContact CB-CG 3.54Å
193L93.3Very high92.6Very high49 Ų4954.8 Ų54.826%0.25727%0.266SS..Hα-helixtrans-63.8-48.4174.5176.365.3000111.6F189 M190 Y191 Q195 F196 L197 M301F189-L193 HydrophobicContact CE1-CD2 4.37Å; F189-L193 WeakPolarHBondContact O-CB 3.39Å; F189-L193 PolarHBondContact O-N 2.94Å; M190-L193 WeakPolarHBondContact O-CB 3.41Å; M190-L193 PolarHBondContact O-N 3.4Å; M190-L193 HydrophobicContact SD-CD2 4.32Å; Y191-L193 VanDerWaalsContact C-N 3.27Å; Y191-L193 PolarHBondContact O-N 2.66Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.44Å; L193-F196 PolarHBondContact O-N 3.29Å; L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CG-CD1 4.18Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å; L193-M301 HydrophobicContact CB-CE 3.98Å; L193-M301 HydrophobicContact CB-SD 4.36Å; L193-M301 HydrophobicContact CD1-CE 3.49Å; L193-M301 VanDerWaalsContact CD1-CE 3.49Å; L193-M301 HydrophobicContact CD1-SD 4.37Å; L193-M301 HydrophobicContact CG-CE 4.32Å
194V94.8Very high92.9Very high64 Ų6452.6 Ų52.639%0.38826%0.257SS..Hα-helixtrans-60.4-44.5178172.40000110.7M190 Y191 L197 G198 F231 L235M190-V194 WeakPolarHBondContact O-CG2 3.44Å; M190-V194 PolarHBondContact O-N 3.26Å; Y191-V194 PolarHBondContact O-N 3.05Å; V194-L197 PolarHBondContact O-N 3.41Å; V194-G198 PolarHBondContact O-N 3.31Å; V194-F231 HydrophobicContact CG1-CE1 4.22Å; V194-L235 HydrophobicContact CG1-CD1 3.85Å
195Q94.4Very high93.2Very high0 Ų048.8 Ų48.80%025%0.245CC..Hα-helixtrans-62.2-44.4176.1-74.4-73.317.400112.3Y191 L193 L197 G198 F199 C232 Y297Y191-Q195 HydrophobicContact CE1-CG 3.99Å; Y191-Q195 HydrophobicContact CE2-CG 4.33Å; Y191-Q195 PolarHBondContact O-N 2.93Å; Y191-Q195 VanDerWaalsContact O-N 3.11Å; Y191-Q195 PolarHBondContact OH-NE2 2.95Å; Y191-Q195 VanDerWaalsContact OH-NE2 3.1Å; L193-Q195 VanDerWaalsContact C-N 3.32Å; L193-Q195 PolarHBondContact O-N 3.44Å; Q195-L197 PolarHBondContact O-N 3.25Å; Q195-G198 PolarHBondContact O-N 3.47Å; Q195-F199 VanDerWaalsContact O-CD2 3.3Å; Q195-F199 WeakPolarHBondContact O-CD2 3.41Å; Q195-F199 PolarHBondContact O-N 3.36Å; Q195-F199 VanDerWaalsContact OE1-CE2 3.31Å; Q195-C232 PolarHBondContact NE2-O 3.12Å; Q195-Y297 HydrophobicContact CB-CD1 3.66Å; Q195-Y297 HydrophobicContact CB-CD2 3.75Å; Q195-Y297 HydrophobicContact CB-CE1 3.62Å; Q195-Y297 HydrophobicContact CB-CE2 3.7Å; Q195-Y297 HydrophobicContact CB-CG 3.72Å; Q195-Y297 HydrophobicContact CG-CD1 4.28Å; Q195-Y297 HydrophobicContact CG-CE1 3.77Å; Q195-Y297 HydrophobicContact CG-CE2 4.25Å
196F94.8Very high93.4Very high52 Ų5245 Ų4523%0.22823%0.229CC..Hα-helixtrans-59.6-46.6176.3172.4-102.3000111.8N192 L193 G198 S200 I294 S298 M301N192-F196 VanDerWaalsContact O-CB 3.28Å; N192-F196 WeakPolarHBondContact O-CB 3.41Å; N192-F196 PolarHBondContact O-N 3.4Å; L193-F196 PolarHBondContact O-N 3.29Å; F196-G198 VanDerWaalsContact C-N 3.34Å; F196-G198 PolarHBondContact O-N 2.93Å; F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.06Å; F196-I294 HydrophobicContact CD2-CG2 4.35Å; F196-I294 HydrophobicContact CE2-CG2 3.82Å; F196-S298 VanDerWaalsContact CD2-OG 3.24Å; F196-S298 WeakPolarHBondContact CD2-OG 3.33Å; F196-S298 WeakPolarHBondContact CE2-OG 3.36Å; F196-M301 HydrophobicContact CB-SD 3.78Å; F196-M301 HydrophobicContact CD1-SD 4.33Å; F196-M301 HydrophobicContact CG-SD 4.08Å
197L95.5Very high93.5Very high100 Ų10045.4 Ų45.452%0.52423%0.225SC..Hα-helixtrans-62.1-41.9177.6-69.3174.6000111.7L193 V194 Q195 W201L193-L197 HydrophobicContact CD1-CD1 4.22Å; L193-L197 HydrophobicContact CD1-CG 4.24Å; L193-L197 HydrophobicContact CG-CD1 4.18Å; L193-L197 VanDerWaalsContact O-CG 3.31Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å; V194-L197 PolarHBondContact O-N 3.41Å; Q195-L197 PolarHBondContact O-N 3.25Å; L197-W201 VanDerWaalsContact O-CB 3.32Å; L197-W201 WeakPolarHBondContact O-CB 3.14Å; L197-W201 PolarHBondContact O-N 2.91Å
198G95.3Very high93.5Very high1 Ų144 Ų441%0.0123%0.226CC..Hα-helixtrans-63.6-52.6178.500000113V194 Q195 F196 S200 W201 I202V194-G198 PolarHBondContact O-N 3.31Å; Q195-G198 PolarHBondContact O-N 3.47Å; F196-G198 VanDerWaalsContact C-N 3.34Å; F196-G198 PolarHBondContact O-N 2.93Å; G198-S200 VanDerWaalsContact C-N 3.34Å; G198-S200 PolarHBondContact O-N 3.41Å; G198-W201 PolarHBondContact O-N 3.38Å; G198-I202 VanDerWaalsContact O-CG1 3.3Å; G198-I202 WeakPolarHBondContact O-CG1 3.39Å; G198-I202 PolarHBondContact O-N 2.89Å
199F95.1Very high93.5Very high0 Ų045.9 Ų45.90%023%0.232CC..Hα-helixtrans-68-32.9178-75.1-68000113.1Q195 I202 F203 M229 C232 E293 I294 Y297Q195-F199 VanDerWaalsContact O-CD2 3.3Å; Q195-F199 WeakPolarHBondContact O-CD2 3.41Å; Q195-F199 PolarHBondContact O-N 3.36Å; Q195-F199 VanDerWaalsContact OE1-CE2 3.31Å; F199-I202 HydrophobicContact CD1-CD1 4.17Å; F199-I202 PolarHBondContact O-N 3.34Å; F199-F203 VanDerWaalsContact O-CB 3.31Å; F199-F203 WeakPolarHBondContact O-CB 3.36Å; F199-F203 PolarHBondContact O-N 3.45Å; F199-M229 HydrophobicContact CE1-CE 4.49Å; F199-M229 HydrophobicContact CE1-SD 4.04Å; F199-C232 HydrophobicContact CD2-CB 4.46Å; F199-C232 HydrophobicContact CE1-CB 4.22Å; F199-C232 HydrophobicContact CE2-CB 3.81Å; F199-C232 HydrophobicContact CZ-CB 3.68Å; F199-E293 HydrophobicContact CB-CB 4.11Å; F199-E293 HydrophobicContact CD1-CB 3.83Å; F199-E293 HydrophobicContact CD1-CG 4.18Å; F199-E293 HydrophobicContact CD2-CB 3.6Å; F199-E293 HydrophobicContact CD2-CG 4.21Å; F199-E293 HydrophobicContact CE1-CB 4.11Å; F199-E293 HydrophobicContact CE1-CG 3.94Å; F199-E293 HydrophobicContact CE2-CB 3.91Å; F199-E293 HydrophobicContact CE2-CG 3.99Å; F199-E293 HydrophobicContact CG-CB 3.56Å; F199-E293 HydrophobicContact CG-CG 4.3Å; F199-E293 HydrophobicContact CZ-CB 4.14Å; F199-E293 HydrophobicContact CZ-CG 3.84Å; F199-I294 HydrophobicContact CB-CG1 4.11Å; F199-Y297 AromaticContact CD2-CD2 3.86Å; F199-Y297 HydrophobicContact CD2-CD2 3.86Å; F199-Y297 AromaticContact CD2-CE2 3.54Å; F199-Y297 HydrophobicContact CD2-CE2 3.54Å; F199-Y297 HydrophobicContact CE2-CD2 4.28Å; F199-Y297 AromaticContact CE2-CE2 3.49Å; F199-Y297 HydrophobicContact CE2-CE2 3.49Å; F199-Y297 VanDerWaalsContact CE2-CE2 3.49Å
200S95.2Very high93.3Very high36 Ų3647.9 Ų47.925%0.25224%0.241SC..Hα-helixtrans-64.4-43.1172.8-174.30000111.4F196 G198 F203 V204F196-S200 WeakPolarHBondContact O-CB 3.48Å; F196-S200 PolarHBondContact O-N 3.06Å; G198-S200 VanDerWaalsContact C-N 3.34Å; G198-S200 PolarHBondContact O-N 3.41Å; S200-F203 PolarHBondContact O-N 3.24Å; S200-V204 WeakPolarHBondContact O-CB 3.32Å; S200-V204 VanDerWaalsContact O-CG2 3.26Å; S200-V204 WeakPolarHBondContact O-CG2 3.45Å; S200-V204 PolarHBondContact O-N 3.03Å
201W95.3Very high93.2Very high116 Ų11647.2 Ų47.244%0.43925%0.246SC..Hα-helixtrans-61.4-47.6175.7-178.990.3000111L197 G198 F203 V204 N205 M228L197-W201 VanDerWaalsContact O-CB 3.32Å; L197-W201 WeakPolarHBondContact O-CB 3.14Å; L197-W201 PolarHBondContact O-N 2.91Å; G198-W201 PolarHBondContact O-N 3.38Å; W201-F203 PolarHBondContact O-N 3.43Å; W201-V204 PolarHBondContact O-N 3.34Å; W201-N205 WeakPolarHBondContact CZ2-ND2 3.4Å; W201-N205 WeakPolarHBondContact O-CB 3.18Å; W201-N205 PolarHBondContact O-N 3.07Å; W201-M228 HydrophobicContact CE3-CB 3.94Å; W201-M228 HydrophobicContact CE3-CG 3.72Å; W201-M228 HydrophobicContact CZ3-CB 3.64Å; W201-M228 HydrophobicContact CZ3-CG 3.98Å
202I94.7Very high93Very high0 Ų052.4 Ų52.40%027%0.274CS..Hα-helixtrans-55.1-51.8176.3-69.3168.9000110.4G198 F199 V204 N205 L206 V225 M228 M229G198-I202 VanDerWaalsContact O-CG1 3.3Å; G198-I202 WeakPolarHBondContact O-CG1 3.39Å; G198-I202 PolarHBondContact O-N 2.89Å; F199-I202 HydrophobicContact CD1-CD1 4.17Å; F199-I202 PolarHBondContact O-N 3.34Å; I202-V204 PolarHBondContact O-N 2.87Å; I202-N205 PolarHBondContact O-N 3.24Å; I202-L206 HydrophobicContact CG2-CD1 3.88Å; I202-L206 HydrophobicContact CG2-CG 4.46Å; I202-L206 WeakPolarHBondContact O-CB 3.47Å; I202-L206 VanDerWaalsContact O-CG 3.25Å; I202-L206 WeakPolarHBondContact O-CG 3.44Å; I202-L206 PolarHBondContact O-N 3.16Å; I202-V225 HydrophobicContact CB-CG1 4.06Å; I202-V225 HydrophobicContact CG1-CG1 3.78Å; I202-V225 HydrophobicContact CG2-CG1 3.58Å; I202-M228 HydrophobicContact CD1-CB 4.31Å; I202-M228 HydrophobicContact CD1-CG 4.06Å; I202-M228 HydrophobicContact CG1-CB 4.16Å; I202-M228 HydrophobicContact CG1-CG 3.93Å; I202-M229 HydrophobicContact CD1-CB 4.37Å; I202-M229 HydrophobicContact CD1-CE 3.98Å; I202-M229 HydrophobicContact CD1-SD 4.32Å; I202-M229 HydrophobicContact CG2-CE 4.08Å
203F94.9Very high92.6Very high53 Ų5355.7 Ų55.723%0.23229%0.291CS..Hα-helixtrans-63.5-44.8-176.6-178.6-97.4000112.9F199 S200 W201 T207 Y287 A291 I294F199-F203 VanDerWaalsContact O-CB 3.31Å; F199-F203 WeakPolarHBondContact O-CB 3.36Å; F199-F203 PolarHBondContact O-N 3.45Å; S200-F203 PolarHBondContact O-N 3.24Å; W201-F203 PolarHBondContact O-N 3.43Å; F203-T207 WeakPolarHBondContact O-CB 3.24Å; F203-T207 PolarHBondContact O-N 3.35Å; F203-T207 PolarHBondContact O-OG1 3.31Å; F203-Y287 HydrophobicContact CD2-CD2 4.23Å; F203-Y287 AromaticContact CD2-CE2 3.86Å; F203-Y287 HydrophobicContact CD2-CE2 3.86Å; F203-Y287 HydrophobicContact CE2-CD2 4.21Å; F203-Y287 HydrophobicContact CE2-CE1 4.02Å; F203-Y287 AromaticContact CE2-CE2 3.49Å; F203-Y287 HydrophobicContact CE2-CE2 3.49Å; F203-Y287 VanDerWaalsContact CE2-CE2 3.49Å; F203-Y287 AromaticContact CE2-CZ 3.37Å; F203-Y287 WeakPolarHBondContact CE2-OH 3.43Å; F203-Y287 HydrophobicContact CZ-CE2 4.12Å; F203-Y287 AromaticContact CZ-CZ 3.89Å; F203-Y287 WeakPolarHBondContact CZ-OH 3.45Å; F203-A291 HydrophobicContact CD2-CB 4.15Å; F203-A291 HydrophobicContact CE2-CB 3.88Å; F203-I294 HydrophobicContact CB-CD1 3.3Å; F203-I294 HydrophobicContact CD1-CD1 3.81Å; F203-I294 HydrophobicContact CD2-CD1 3.98Å; F203-I294 HydrophobicContact CG-CD1 3.42Å; F203-I294 VanDerWaalsContact CG-CD1 3.42Å
204V94.4Very high92.1Very high78 Ų7854.8 Ų54.847%0.47329%0.293SS..Hα-helixtrans-65.2-44.7177.71720000110.4S200 W201 I202 L206 T207 V208S200-V204 WeakPolarHBondContact O-CB 3.32Å; S200-V204 VanDerWaalsContact O-CG2 3.26Å; S200-V204 WeakPolarHBondContact O-CG2 3.45Å; S200-V204 PolarHBondContact O-N 3.03Å; W201-V204 PolarHBondContact O-N 3.34Å; I202-V204 PolarHBondContact O-N 2.87Å; V204-L206 PolarHBondContact O-N 3.15Å; V204-T207 PolarHBondContact O-N 2.9Å; V204-V208 HydrophobicContact CG1-CG2 4.11Å; V204-V208 WeakPolarHBondContact O-CB 3.25Å; V204-V208 VanDerWaalsContact O-CG2 3.28Å; V204-V208 WeakPolarHBondContact O-CG2 3.24Å; V204-V208 PolarHBondContact O-N 3.02Å
205N92.4Very high91.4Very high35 Ų3559.6 Ų59.619%0.18731%0.309CS..Hα-helixtrans-60.8-46.6-179.8-159.5-64.9000111.3W201 I202 T207 V208 R209W201-N205 WeakPolarHBondContact CZ2-ND2 3.4Å; W201-N205 WeakPolarHBondContact O-CB 3.18Å; W201-N205 PolarHBondContact O-N 3.07Å; I202-N205 PolarHBondContact O-N 3.24Å; N205-T207 PolarHBondContact O-N 2.9Å; N205-V208 PolarHBondContact O-N 2.98Å; N205-R209 WeakPolarHBondContact O-CB 3.15Å; N205-R209 VanDerWaalsContact O-CG 3.28Å; N205-R209 WeakPolarHBondContact O-CG 3.46Å; N205-R209 PolarHBondContact O-N 2.88Å; N205-R209 WeakPolarHBondContact OD1-CD 3.45Å; N205-R209 PolarHBondContact OD1-NE 2.6Å
206L91.7Very high90.6Very high1 Ų165.9 Ų65.91%0.00534%0.338CS..Hα-helixtrans-62.1-43175.4-68.8176.6000112.4I202 V204 F210 T221 V225 F283 F286 Y287I202-L206 HydrophobicContact CG2-CD1 3.88Å; I202-L206 HydrophobicContact CG2-CG 4.46Å; I202-L206 WeakPolarHBondContact O-CB 3.47Å; I202-L206 VanDerWaalsContact O-CG 3.25Å; I202-L206 WeakPolarHBondContact O-CG 3.44Å; I202-L206 PolarHBondContact O-N 3.16Å; V204-L206 PolarHBondContact O-N 3.15Å; L206-F210 VanDerWaalsContact O-CB 3.25Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 3.39Å; L206-T221 HydrophobicContact CD2-CG2 3.43Å; L206-T221 VanDerWaalsContact CD2-CG2 3.43Å; L206-V225 HydrophobicContact CD2-CG2 3.92Å; L206-V225 HydrophobicContact CG-CG2 4.38Å; L206-F283 HydrophobicContact CB-CE2 3.98Å; L206-F283 HydrophobicContact CD2-CD2 3.94Å; L206-F283 HydrophobicContact CD2-CE2 4.1Å; L206-F286 HydrophobicContact CD1-CB 3.94Å; L206-Y287 HydrophobicContact CB-CD2 4.2Å; L206-Y287 HydrophobicContact CD1-CD2 4.47Å
207T92.5Very high89.9Confident42 Ų4263.4 Ų63.426%0.25833%0.328SS..Hα-helixtrans-64.9-47.6179.7-56.20000111.2F203 V204 N205 F210 C211F203-T207 WeakPolarHBondContact O-CB 3.24Å; F203-T207 PolarHBondContact O-N 3.35Å; F203-T207 PolarHBondContact O-OG1 3.31Å; V204-T207 PolarHBondContact O-N 2.9Å; N205-T207 PolarHBondContact O-N 2.9Å; T207-F210 PolarHBondContact O-N 2.86Å; T207-C211 PolarHBondContact O-N 3.5Å; T207-C211 PolarHBondContact O-SG 3.49Å
208V91.9Very high89.2Confident73 Ų7360.1 Ų60.144%0.44231%0.309SS..Hα-helixtrans-63.1-45.7179.5170.50000110.8V204 N205 F210 C211 I212V204-V208 HydrophobicContact CG1-CG2 4.11Å; V204-V208 WeakPolarHBondContact O-CB 3.25Å; V204-V208 VanDerWaalsContact O-CG2 3.28Å; V204-V208 WeakPolarHBondContact O-CG2 3.24Å; V204-V208 PolarHBondContact O-N 3.02Å; N205-V208 PolarHBondContact O-N 2.98Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 2.95Å; V208-C211 PolarHBondContact O-N 3.24Å; V208-I212 HydrophobicContact CG1-CD1 3.59Å; V208-I212 HydrophobicContact CG1-CG1 4.37Å; V208-I212 WeakPolarHBondContact O-CG1 3.48Å; V208-I212 PolarHBondContact O-N 3.46Å
209R88.4Confident88.5Confident65 Ų6566 Ų6625%0.24533%0.332CS..Hα-helixtrans-62.6-40.7177.2-75.3176.3175.7-96.92.1112.2N205 C211 I212 L213 D220 T224N205-R209 WeakPolarHBondContact O-CB 3.15Å; N205-R209 VanDerWaalsContact O-CG 3.28Å; N205-R209 WeakPolarHBondContact O-CG 3.46Å; N205-R209 PolarHBondContact O-N 2.88Å; N205-R209 WeakPolarHBondContact OD1-CD 3.45Å; N205-R209 PolarHBondContact OD1-NE 2.6Å; R209-C211 VanDerWaalsContact C-N 3.32Å; R209-C211 PolarHBondContact O-N 2.96Å; R209-I212 PolarHBondContact O-N 2.86Å; R209-L213 WeakPolarHBondContact O-CB 3.35Å; R209-L213 PolarHBondContact O-N 2.96Å; R209-D220 IonicContact CZ-OD2 3.62Å; R209-D220 IonicContact NH1-OD2 3.19Å; R209-D220 PolarHBondContact NH1-OD2 3.11Å; R209-T224 VanDerWaalsContact NH2-CG2 3.28Å
210F89.3Confident88Confident97 Ų9768.9 Ų68.943%0.42535%0.347SS..Hα-helixtrans-61.1-42.5174.5177.1-105.2000111.7L206 T207 V208 G214 F218 F283L206-F210 VanDerWaalsContact O-CB 3.25Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 3.39Å; T207-F210 PolarHBondContact O-N 2.86Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 2.95Å; F210-G214 WeakPolarHBondContact O-CA 3.22Å; F210-G214 PolarHBondContact O-N 3.42Å; F210-G214 VanDerWaalsContact O-N 3.12Å; F210-F218 AromaticContact CD2-CE1 3.84Å; F210-F218 HydrophobicContact CD2-CE1 3.84Å; F210-F218 HydrophobicContact CD2-CZ 4.09Å; F210-F218 AromaticContact CE2-CE1 3.99Å; F210-F218 HydrophobicContact CE2-CE1 3.99Å; F210-F218 AromaticContact CE2-CZ 3.79Å; F210-F218 HydrophobicContact CE2-CZ 3.79Å; F210-F283 HydrophobicContact CB-CE2 4.19Å; F210-F283 HydrophobicContact CB-CZ 3.95Å; F210-F283 HydrophobicContact CD2-CZ 4.17Å; F210-F283 HydrophobicContact CG-CZ 4.18Å
211C88.6Confident87.6Confident99 Ų9967.2 Ų67.267%0.66934%0.335SS*.Hα-helixtrans-67.9-35178.2-70.20000113.7T207 V208 R209T207-C211 PolarHBondContact O-N 3.5Å; T207-C211 PolarHBondContact O-SG 3.49Å; V208-C211 PolarHBondContact O-N 3.24Å; R209-C211 VanDerWaalsContact C-N 3.32Å; R209-C211 PolarHBondContact O-N 2.96Å
212I88.1Confident87.3Confident129 Ų12962.3 Ų62.366%0.66232%0.317SS*.Hα-helixtrans-89.7-49.4-175.7-59.7171.9000111.9V208 R209V208-I212 HydrophobicContact CG1-CD1 3.59Å; V208-I212 HydrophobicContact CG1-CG1 4.37Å; V208-I212 WeakPolarHBondContact O-CG1 3.48Å; V208-I212 PolarHBondContact O-N 3.46Å; R209-I212 PolarHBondContact O-N 2.86Å
213L84.3Confident87Confident80 Ų8067.8 Ų67.842%0.41934%0.343SS..Hα-helixtrans-94.1-14.7-172.8-79.275.3000112.9R209 K215 E216R209-L213 WeakPolarHBondContact O-CB 3.35Å; R209-L213 PolarHBondContact O-N 2.96Å; L213-K215 PolarHBondContact O-N 3.49Å; L213-E216 HydrophobicContact CB-CB 4.46Å; L213-E216 PolarHBondContact O-N 2.83Å
214G83.6Confident86.7Confident29 Ų2967.1 Ų67.130%0.29934%0.343SS..G310 helixtrans61.2-124.7-177.500000112F210 E216 S217F210-G214 WeakPolarHBondContact O-CA 3.22Å; F210-G214 PolarHBondContact O-N 3.42Å; F210-G214 VanDerWaalsContact O-N 3.12Å; G214-E216 VanDerWaalsContact C-N 3.35Å; G214-E216 PolarHBondContact O-N 3.02Å; G214-S217 WeakPolarHBondContact O-CB 3.5Å; G214-S217 PolarHBondContact O-N 3.09Å; G214-S217 PolarHBondContact O-OG 3.3Å
215K78.3Confident86.6Confident165 Ų16563.4 Ų63.472%0.71732%0.321SS*.G310 helixtrans-68.8-28.3-174.2-69.6-178.7179.3176.10114.1L213 S217 F218L213-K215 PolarHBondContact O-N 3.49Å; K215-S217 PolarHBondContact O-N 3.39Å; K215-F218 HydrophobicContact CB-CD2 4.44Å; K215-F218 HydrophobicContact CB-CE2 4.48Å; K215-F218 HydrophobicContact CG-CE2 4.31Å; K215-F218 WeakPolarHBondContact O-CB 3.31Å; K215-F218 VanDerWaalsContact O-CD2 3.31Å; K215-F218 WeakPolarHBondContact O-CD2 3.37Å; K215-F218 PolarHBondContact O-N 3.25Å
216E78Confident86.5Confident132 Ų13261.9 Ų61.962%0.61731%0.313SS*.G310 helixtrans-66-24.9178-62.5-58.1145.400111.8L213 G214 F218 Y219L213-E216 HydrophobicContact CB-CB 4.46Å; L213-E216 PolarHBondContact O-N 2.83Å; G214-E216 VanDerWaalsContact C-N 3.35Å; G214-E216 PolarHBondContact O-N 3.02Å; E216-F218 PolarHBondContact O-N 3.24Å; E216-F218 VanDerWaalsContact O-N 3.17Å; E216-Y219 PolarHBondContact O-N 3.15Å
217S79.7Confident86.5Confident1 Ų168.2 Ų68.21%0.00735%0.347CS..Hα-helixtrans-60.9-26.417771.40000113.2G214 K215 Y219 T221G214-S217 WeakPolarHBondContact O-CB 3.5Å; G214-S217 PolarHBondContact O-N 3.09Å; G214-S217 PolarHBondContact O-OG 3.3Å; K215-S217 PolarHBondContact O-N 3.39Å; S217-Y219 VanDerWaalsContact C-N 3.33Å; S217-Y219 PolarHBondContact O-N 3.13Å; S217-T221 PolarHBondContact O-N 3.36Å; S217-T221 PolarHBondContact O-OG1 3.5Å
218F82.4Confident86.5Confident31 Ų3169 Ų6914%0.13635%0.348CS..Hα-helixtrans-67.2-33.8-177.2-63.1-32.7000113.1F210 K215 E216 A280 F283F210-F218 AromaticContact CD2-CE1 3.84Å; F210-F218 HydrophobicContact CD2-CE1 3.84Å; F210-F218 HydrophobicContact CD2-CZ 4.09Å; F210-F218 AromaticContact CE2-CE1 3.99Å; F210-F218 HydrophobicContact CE2-CE1 3.99Å; F210-F218 AromaticContact CE2-CZ 3.79Å; F210-F218 HydrophobicContact CE2-CZ 3.79Å; K215-F218 HydrophobicContact CB-CD2 4.44Å; K215-F218 HydrophobicContact CB-CE2 4.48Å; K215-F218 HydrophobicContact CG-CE2 4.31Å; K215-F218 WeakPolarHBondContact O-CB 3.31Å; K215-F218 VanDerWaalsContact O-CD2 3.31Å; K215-F218 WeakPolarHBondContact O-CD2 3.37Å; K215-F218 PolarHBondContact O-N 3.25Å; E216-F218 PolarHBondContact O-N 3.24Å; E216-F218 VanDerWaalsContact O-N 3.17Å; F218-A280 HydrophobicContact CB-CB 3.81Å; F218-A280 HydrophobicContact CD2-CB 4.13Å; F218-A280 HydrophobicContact CG-CB 4.03Å; F218-F283 HydrophobicContact CD1-CB 3.87Å; F218-F283 AromaticContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD2 4Å; F218-F283 HydrophobicContact CD1-CE1 4.35Å; F218-F283 AromaticContact CD1-CG 3.61Å; F218-F283 HydrophobicContact CD1-CG 3.61Å; F218-F283 AromaticContact CE1-CD1 3.61Å; F218-F283 HydrophobicContact CE1-CD1 3.61Å; F218-F283 HydrophobicContact CE1-CD2 4.36Å; F218-F283 AromaticContact CE1-CE1 3.81Å; F218-F283 HydrophobicContact CE1-CE1 3.81Å; F218-F283 AromaticContact CE1-CG 3.92Å; F218-F283 HydrophobicContact CE1-CG 3.92Å; F218-F283 HydrophobicContact CE1-CZ 4.27Å
219Y80.2Confident86.6Confident125 Ų12565.5 Ų65.549%0.4933%0.327SS..Hα-helixtrans-84.2-31.9-175.5-61-90.8000111.5E216 S217 N278E216-Y219 PolarHBondContact O-N 3.15Å; S217-Y219 VanDerWaalsContact C-N 3.33Å; S217-Y219 PolarHBondContact O-N 3.13Å; Y219-N278 HydrophobicContact CD1-CB 4.4Å; Y219-N278 WeakPolarHBondContact CD1-O 3.24Å; Y219-N278 VanDerWaalsContact CE1-O 3.25Å; Y219-N278 WeakPolarHBondContact CE1-O 3.39Å
220D85.1Confident86.9Confident59 Ų5964.7 Ų64.732%0.31632%0.324SS..Hα-helixtrans-88-3.1179.4-170.648.2000113.9R209 F222 T224R209-D220 IonicContact CZ-OD2 3.62Å; R209-D220 IonicContact NH1-OD2 3.19Å; R209-D220 PolarHBondContact NH1-OD2 3.11Å; D220-F222 PolarHBondContact O-N 2.91Å; D220-T224 WeakPolarHBondContact O-CG2 3.35Å; D220-T224 PolarHBondContact O-N 3.49Å; D220-T224 PolarHBondContact O-OG1 2.92Å; D220-T224 VanDerWaalsContact OD2-CG2 3.27Å; D220-T224 WeakPolarHBondContact OD2-CG2 3.34Å
221T86.6Confident87.1Confident1 Ų165 Ų651%0.00633%0.326CS..Hα-helixtrans-60.5-44.7-174.5-71.70000112.5L206 S217 T224 V225 V282 F283 F286L206-T221 HydrophobicContact CD2-CG2 3.43Å; L206-T221 VanDerWaalsContact CD2-CG2 3.43Å; S217-T221 PolarHBondContact O-N 3.36Å; S217-T221 PolarHBondContact O-OG1 3.5Å; T221-T224 PolarHBondContact O-N 2.92Å; T221-T224 PolarHBondContact O-OG1 3.42Å; T221-V225 WeakPolarHBondContact O-CB 3.44Å; T221-V225 PolarHBondContact O-N 3.02Å; T221-V225 VanDerWaalsContact O-N 3.16Å; T221-V282 HydrophobicContact CG2-CG1 4.33Å; T221-F283 HydrophobicContact CG2-CB 4.32Å; T221-F283 HydrophobicContact CG2-CD2 4.4Å; T221-F283 WeakPolarHBondContact OG1-CD2 3.46Å; T221-F286 HydrophobicContact CG2-CD2 4.19Å
222F88.6Confident87.3Confident14 Ų1460.4 Ų60.46%0.06129%0.294CS..Hα-helixtrans-64.1-50.3-176.1-171.6-92.8000110.9D220 T224 V225 A226 Y230 F270 Q277 V282 F286D220-F222 PolarHBondContact O-N 2.91Å; F222-T224 PolarHBondContact O-N 3.41Å; F222-T224 VanDerWaalsContact O-N 3.1Å; F222-V225 PolarHBondContact O-N 3.45Å; F222-A226 HydrophobicContact CD1-CB 3.97Å; F222-A226 HydrophobicContact CD2-CB 3.93Å; F222-A226 HydrophobicContact CE1-CB 3.83Å; F222-A226 HydrophobicContact CE2-CB 3.79Å; F222-A226 HydrophobicContact CG-CB 4.03Å; F222-A226 HydrophobicContact CZ-CB 3.76Å; F222-A226 WeakPolarHBondContact O-CA 3.47Å; F222-A226 WeakPolarHBondContact O-CB 3.25Å; F222-A226 PolarHBondContact O-N 3.37Å; F222-Y230 HydrophobicContact CZ-CE2 4.14Å; F222-F270 HydrophobicContact CD2-CB 4.25Å; F222-F270 HydrophobicContact CE2-CB 3.61Å; F222-F270 HydrophobicContact CZ-CB 4.38Å; F222-Q277 HydrophobicContact CB-CB 3.84Å; F222-Q277 HydrophobicContact CB-CG 4.38Å; F222-Q277 HydrophobicContact CD1-CB 3.64Å; F222-Q277 HydrophobicContact CD1-CG 3.39Å; F222-Q277 HydrophobicContact CD2-CB 4.3Å; F222-Q277 HydrophobicContact CD2-CG 3.97Å; F222-Q277 HydrophobicContact CE1-CB 4.27Å; F222-Q277 HydrophobicContact CE1-CG 3.49Å; F222-Q277 VanDerWaalsContact CE1-CG 3.49Å; F222-Q277 VanDerWaalsContact CE1-NE2 3.27Å; F222-Q277 HydrophobicContact CE2-CG 4.06Å; F222-Q277 HydrophobicContact CG-CB 3.65Å; F222-Q277 HydrophobicContact CG-CG 3.64Å; F222-Q277 HydrophobicContact CZ-CG 3.82Å; F222-V282 HydrophobicContact CB-CG1 4.19Å; F222-V282 HydrophobicContact CD2-CG1 4Å; F222-F286 HydrophobicContact CD2-CE2 4.3Å; F222-F286 HydrophobicContact CD2-CZ 4.14Å; F222-F286 HydrophobicContact CE2-CZ 4.33Å
223H87.9Confident87.4Confident114 Ų11454.5 Ų54.553%0.52826%0.264SS..Hα-helixtrans-61.3-25.2-176.9-66.8-62.6000114.3
224T88.5Confident87.8Confident39 Ų3955.5 Ų55.524%0.23927%0.268CS..Hα-helixtrans-99.5-24.1-172.953.90000113.7R209 D220 T221 F222R209-T224 VanDerWaalsContact NH2-CG2 3.28Å; D220-T224 WeakPolarHBondContact O-CG2 3.35Å; D220-T224 PolarHBondContact O-N 3.49Å; D220-T224 PolarHBondContact O-OG1 2.92Å; D220-T224 VanDerWaalsContact OD2-CG2 3.27Å; D220-T224 WeakPolarHBondContact OD2-CG2 3.34Å; T221-T224 PolarHBondContact O-N 2.92Å; T221-T224 PolarHBondContact O-OG1 3.42Å; F222-T224 PolarHBondContact O-N 3.41Å; F222-T224 VanDerWaalsContact O-N 3.1Å
225V92.3Very high88.1Confident1 Ų156.1 Ų56.11%0.00626%0.264CS..Hα-helixtrans-121.6-18.3-171.3-175.90000112.5I202 L206 T221 F222 D227 M228 M229 F286I202-V225 HydrophobicContact CB-CG1 4.06Å; I202-V225 HydrophobicContact CG1-CG1 3.78Å; I202-V225 HydrophobicContact CG2-CG1 3.58Å; L206-V225 HydrophobicContact CD2-CG2 3.92Å; L206-V225 HydrophobicContact CG-CG2 4.38Å; T221-V225 WeakPolarHBondContact O-CB 3.44Å; T221-V225 PolarHBondContact O-N 3.02Å; T221-V225 VanDerWaalsContact O-N 3.16Å; F222-V225 PolarHBondContact O-N 3.45Å; V225-D227 PolarHBondContact O-N 2.85Å; V225-M228 PolarHBondContact O-N 3.45Å; V225-M229 PolarHBondContact O-N 2.97Å; V225-F286 HydrophobicContact CG1-CD2 4.33Å
226A90.6Very high88.6Confident3 Ų348.5 Ų48.53%0.02523%0.232CC..Hα-helixtrans-58.3-43.7-174.500000112.9F222 M228 M229 Y230F222-A226 HydrophobicContact CD1-CB 3.97Å; F222-A226 HydrophobicContact CD2-CB 3.93Å; F222-A226 HydrophobicContact CE1-CB 3.83Å; F222-A226 HydrophobicContact CE2-CB 3.79Å; F222-A226 HydrophobicContact CG-CB 4.03Å; F222-A226 HydrophobicContact CZ-CB 3.76Å; F222-A226 WeakPolarHBondContact O-CA 3.47Å; F222-A226 WeakPolarHBondContact O-CB 3.25Å; F222-A226 PolarHBondContact O-N 3.37Å; A226-M228 VanDerWaalsContact C-N 3.3Å; A226-M228 PolarHBondContact O-N 2.88Å; A226-M229 CarbonylContact O-C 3.56Å; A226-M229 WeakPolarHBondContact O-CA 3.5Å; A226-M229 WeakPolarHBondContact O-CB 3.34Å; A226-M229 PolarHBondContact O-N 2.77Å; A226-Y230 HydrophobicContact CB-CD2 4.2Å; A226-Y230 HydrophobicContact CB-CE2 4Å; A226-Y230 WeakPolarHBondContact O-CD2 3.45Å; A226-Y230 PolarHBondContact O-N 3.31Å
227D92.2Very high89.1Confident133 Ų13344.5 Ų44.571%0.71122%0.216SC*.Hα-helixtrans-57.8-44.6-179.1-67.4-15.9000111.9V225 Y230 F231V225-D227 PolarHBondContact O-N 2.85Å; D227-Y230 PolarHBondContact O-N 2.85Å; D227-F231 WeakPolarHBondContact O-CB 3.39Å; D227-F231 PolarHBondContact O-N 3.39Å
228M92.8Very high89.6Confident59 Ų5946.6 Ų46.629%0.29123%0.229SC..Hα-helixtrans-68.3-37.1176.6-165.161.8156.100111.7W201 I202 V225 A226 F231 C232W201-M228 HydrophobicContact CE3-CB 3.94Å; W201-M228 HydrophobicContact CE3-CG 3.72Å; W201-M228 HydrophobicContact CZ3-CB 3.64Å; W201-M228 HydrophobicContact CZ3-CG 3.98Å; I202-M228 HydrophobicContact CD1-CB 4.31Å; I202-M228 HydrophobicContact CD1-CG 4.06Å; I202-M228 HydrophobicContact CG1-CB 4.16Å; I202-M228 HydrophobicContact CG1-CG 3.93Å; V225-M228 PolarHBondContact O-N 3.45Å; A226-M228 VanDerWaalsContact C-N 3.3Å; A226-M228 PolarHBondContact O-N 2.88Å; M228-F231 PolarHBondContact O-N 3.16Å; M228-F231 HydrophobicContact SD-CD1 4.27Å; M228-C232 PolarHBondContact O-N 3.18Å; M228-C232 PolarHBondContact O-SG 3.49Å
229M93.7Very high89.7Confident0 Ų046.4 Ų46.40%023%0.229CC..Hα-helixtrans-64-44.8175.8-17560.974.500111.4F199 I202 V225 A226 F231 C232 Q233 L266 F286 W289F199-M229 HydrophobicContact CE1-CE 4.49Å; F199-M229 HydrophobicContact CE1-SD 4.04Å; I202-M229 HydrophobicContact CD1-CB 4.37Å; I202-M229 HydrophobicContact CD1-CE 3.98Å; I202-M229 HydrophobicContact CD1-SD 4.32Å; I202-M229 HydrophobicContact CG2-CE 4.08Å; V225-M229 PolarHBondContact O-N 2.97Å; A226-M229 CarbonylContact O-C 3.56Å; A226-M229 WeakPolarHBondContact O-CA 3.5Å; A226-M229 WeakPolarHBondContact O-CB 3.34Å; A226-M229 PolarHBondContact O-N 2.77Å; M229-F231 VanDerWaalsContact C-N 3.35Å; M229-F231 PolarHBondContact O-N 2.73Å; M229-C232 PolarHBondContact O-N 2.75Å; M229-Q233 WeakPolarHBondContact O-CG 3.26Å; M229-Q233 PolarHBondContact O-N 3.5Å; M229-Q233 HydrophobicContact SD-CG 4.35Å; M229-L266 HydrophobicContact CG-CD1 3.95Å; M229-L266 HydrophobicContact CG-CD2 4.02Å; M229-F286 HydrophobicContact CB-CE2 4.26Å; M229-F286 HydrophobicContact CB-CZ 4.29Å; M229-F286 HydrophobicContact CE-CB 3.81Å; M229-F286 HydrophobicContact CE-CD1 3.84Å; M229-F286 HydrophobicContact CE-CD2 4.2Å; M229-F286 HydrophobicContact CE-CE1 4.46Å; M229-F286 HydrophobicContact CE-CG 3.69Å; M229-F286 HydrophobicContact CG-CD1 4.26Å; M229-F286 HydrophobicContact CG-CE1 3.94Å; M229-F286 HydrophobicContact CG-CE2 4.33Å; M229-F286 HydrophobicContact CG-CZ 3.98Å; M229-W289 HydrophobicContact CE-CE3 4.48Å; M229-W289 HydrophobicContact SD-CE3 4.1Å
230Y93.4Very high90Very high47 Ų4741.3 Ų41.318%0.18421%0.21CC..Hα-helixtrans-58.6-47.1174-78.2-64000111.1F222 A226 D227 C232 Q233 M234 L266 F267 G271F222-Y230 HydrophobicContact CZ-CE2 4.14Å; A226-Y230 HydrophobicContact CB-CD2 4.2Å; A226-Y230 HydrophobicContact CB-CE2 4Å; A226-Y230 WeakPolarHBondContact O-CD2 3.45Å; A226-Y230 PolarHBondContact O-N 3.31Å; D227-Y230 PolarHBondContact O-N 2.85Å; Y230-C232 PolarHBondContact O-N 3.27Å; Y230-Q233 PolarHBondContact O-N 2.96Å; Y230-M234 WeakPolarHBondContact O-CB 3.17Å; Y230-M234 VanDerWaalsContact O-CG 3.29Å; Y230-M234 WeakPolarHBondContact O-CG 3.42Å; Y230-M234 PolarHBondContact O-N 3.2Å; Y230-L266 HydrophobicContact CD1-CD1 4.47Å; Y230-L266 HydrophobicContact CD1-CD2 3.55Å; Y230-L266 HydrophobicContact CD1-CG 3.81Å; Y230-L266 HydrophobicContact CE1-CD1 4.11Å; Y230-L266 HydrophobicContact CE1-CD2 3.81Å; Y230-L266 HydrophobicContact CE1-CG 3.49Å; Y230-L266 VanDerWaalsContact CE1-CG 3.49Å; Y230-L266 HydrophobicContact CG-CD2 4.21Å; Y230-L266 PolarHBondContact OH-O 3.3Å; Y230-F267 AromaticContact CD1-CD1 3.98Å; Y230-F267 HydrophobicContact CD1-CD1 3.98Å; Y230-F267 AromaticContact CD1-CE1 3.41Å; Y230-F267 HydrophobicContact CD1-CE1 3.41Å; Y230-F267 VanDerWaalsContact CD1-CE1 3.41Å; Y230-F267 HydrophobicContact CD1-CE2 4.2Å; Y230-F267 AromaticContact CD1-CZ 3.55Å; Y230-F267 HydrophobicContact CD1-CZ 3.55Å; Y230-F267 AromaticContact CE1-CD1 3.55Å; Y230-F267 HydrophobicContact CE1-CD1 3.55Å; Y230-F267 HydrophobicContact CE1-CD2 4.48Å; Y230-F267 AromaticContact CE1-CE1 3.5Å; Y230-F267 HydrophobicContact CE1-CE1 3.5Å; Y230-F267 HydrophobicContact CE1-CE2 4.44Å; Y230-F267 HydrophobicContact CE1-CG 4.07Å; Y230-F267 AromaticContact CE1-CZ 3.98Å; Y230-F267 HydrophobicContact CE1-CZ 3.98Å; Y230-G271 WeakPolarHBondContact OH-CA 3.29Å
231F93.3Very high90.1Very high105 Ų10542.6 Ų42.646%0.46122%0.216SC..Hα-helixtrans-57.8-49.4177.4178.7-103.7000112.3V194 D227 M228 M229 Q233 M234 L235V194-F231 HydrophobicContact CG1-CE1 4.22Å; D227-F231 WeakPolarHBondContact O-CB 3.39Å; D227-F231 PolarHBondContact O-N 3.39Å; M228-F231 PolarHBondContact O-N 3.16Å; M228-F231 HydrophobicContact SD-CD1 4.27Å; M229-F231 VanDerWaalsContact C-N 3.35Å; M229-F231 PolarHBondContact O-N 2.73Å; F231-Q233 VanDerWaalsContact C-N 3.33Å; F231-Q233 PolarHBondContact O-N 2.89Å; F231-M234 PolarHBondContact O-N 3.45Å; F231-L235 HydrophobicContact CD1-CD1 4.05Å; F231-L235 HydrophobicContact CE1-CD1 3.42Å; F231-L235 VanDerWaalsContact CE1-CD1 3.42Å; F231-L235 HydrophobicContact CE1-CG 4.34Å; F231-L235 HydrophobicContact CE2-CD1 4.35Å; F231-L235 HydrophobicContact CZ-CD1 3.6Å; F231-L235 HydrophobicContact CZ-CG 4.23Å; F231-L235 PolarHBondContact O-N 3.39Å
232C93.4Very high90.1Very high1 Ų143.2 Ų43.21%0.00722%0.22CC..Hα-helixtrans-63.3-38.5179.6-63.70000112.1Q195 F199 M228 M229 Y230 L235 A236Q195-C232 PolarHBondContact NE2-O 3.12Å; F199-C232 HydrophobicContact CD2-CB 4.46Å; F199-C232 HydrophobicContact CE1-CB 4.22Å; F199-C232 HydrophobicContact CE2-CB 3.81Å; F199-C232 HydrophobicContact CZ-CB 3.68Å; M228-C232 PolarHBondContact O-N 3.18Å; M228-C232 PolarHBondContact O-SG 3.49Å; M229-C232 PolarHBondContact O-N 2.75Å; Y230-C232 PolarHBondContact O-N 3.27Å; C232-L235 PolarHBondContact O-N 3.37Å; C232-A236 PolarHBondContact O-N 3.36Å
233Q91.8Very high89.9Confident5 Ų542.9 Ų42.92%0.02322%0.219CC..Hα-helixtrans-72.1-34.8177.2-66.2-47.1-9.600113.8M229 Y230 F231 L235 A236 V237 L266M229-Q233 WeakPolarHBondContact O-CG 3.26Å; M229-Q233 PolarHBondContact O-N 3.5Å; M229-Q233 HydrophobicContact SD-CG 4.35Å; Y230-Q233 PolarHBondContact O-N 2.96Å; F231-Q233 VanDerWaalsContact C-N 3.33Å; F231-Q233 PolarHBondContact O-N 2.89Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; Q233-L235 PolarHBondContact O-N 3.07Å; Q233-A236 WeakPolarHBondContact O-CB 3.37Å; Q233-A236 PolarHBondContact O-N 3.35Å; Q233-A236 VanDerWaalsContact O-N 3.1Å; Q233-V237 PolarHBondContact O-N 2.9Å; Q233-L266 HydrophobicContact CB-CD2 4.05Å; Q233-L266 HydrophobicContact CG-CD2 3.68Å
234M91Very high89.7Confident102 Ų10240.7 Ų40.750%0.50222%0.221SC..Hα-helixtrans-63.4-39.9171.5-70.7-54.8-62.600111Y230 F231 A236 V237 F267Y230-M234 WeakPolarHBondContact O-CB 3.17Å; Y230-M234 VanDerWaalsContact O-CG 3.29Å; Y230-M234 WeakPolarHBondContact O-CG 3.42Å; Y230-M234 PolarHBondContact O-N 3.2Å; F231-M234 PolarHBondContact O-N 3.45Å; M234-A236 VanDerWaalsContact C-N 3.28Å; M234-A236 PolarHBondContact O-N 2.89Å; M234-V237 VanDerWaalsContact O-CB 3.32Å; M234-V237 WeakPolarHBondContact O-CB 3.38Å; M234-V237 PolarHBondContact O-N 3.37Å; M234-F267 HydrophobicContact CG-CZ 4.3Å; M234-F267 HydrophobicContact SD-CE2 4.28Å; M234-F267 HydrophobicContact SD-CZ 3.7Å
235L90.8Very high89.5Confident41 Ų4144.6 Ų44.622%0.21524%0.239CC..Hα-helixtrans-65.3-29.7172-74178.6000112.8Y191 V194 F231 C232 Q233 V237 V238Y191-L235 HydrophobicContact CE2-CB 4.29Å; Y191-L235 WeakPolarHBondContact CE2-O 3.3Å; Y191-L235 PolarHBondContact OH-O 3.41Å; V194-L235 HydrophobicContact CG1-CD1 3.85Å; F231-L235 HydrophobicContact CD1-CD1 4.05Å; F231-L235 HydrophobicContact CE1-CD1 3.42Å; F231-L235 VanDerWaalsContact CE1-CD1 3.42Å; F231-L235 HydrophobicContact CE1-CG 4.34Å; F231-L235 HydrophobicContact CE2-CD1 4.35Å; F231-L235 HydrophobicContact CZ-CD1 3.6Å; F231-L235 HydrophobicContact CZ-CG 4.23Å; F231-L235 PolarHBondContact O-N 3.39Å; C232-L235 PolarHBondContact O-N 3.37Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; Q233-L235 PolarHBondContact O-N 3.07Å; L235-V237 PolarHBondContact O-N 3.31Å; L235-V238 VanDerWaalsContact O-CB 3.29Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.22Å; L235-V238 VanDerWaalsContact O-N 3.09Å
236A88.3Confident88.8Confident6 Ų646.7 Ų46.75%0.0526%0.261CS..Hα-helixtrans-67.4-22176.300000112.9C232 Q233 M234 V238 E239 T240 L259C232-A236 PolarHBondContact O-N 3.36Å; Q233-A236 WeakPolarHBondContact O-CB 3.37Å; Q233-A236 PolarHBondContact O-N 3.35Å; Q233-A236 VanDerWaalsContact O-N 3.1Å; M234-A236 VanDerWaalsContact C-N 3.28Å; M234-A236 PolarHBondContact O-N 2.89Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 3.49Å; A236-E239 WeakPolarHBondContact O-CB 3.44Å; A236-E239 PolarHBondContact O-N 3.08Å; A236-T240 PolarHBondContact O-N 3.36Å; A236-L259 HydrophobicContact CB-CD1 3.76Å
237V89.3Confident88.2Confident47 Ų4748.1 Ų48.129%0.28527%0.269SS..Hα-helixtrans-61.4-40.7169.6-177.40000110.6Q233 M234 L235 E239 T240 I241 L259Q233-V237 PolarHBondContact O-N 2.9Å; M234-V237 VanDerWaalsContact O-CB 3.32Å; M234-V237 WeakPolarHBondContact O-CB 3.38Å; M234-V237 PolarHBondContact O-N 3.37Å; L235-V237 PolarHBondContact O-N 3.31Å; V237-E239 PolarHBondContact O-N 3.46Å; V237-T240 PolarHBondContact O-N 3.46Å; V237-T240 VanDerWaalsContact O-N 3.08Å; V237-I241 HydrophobicContact CG1-CD1 4.1Å; V237-I241 WeakPolarHBondContact O-CG1 3.42Å; V237-I241 PolarHBondContact O-N 3.29Å; V237-L259 HydrophobicContact CB-CD2 4.34Å; V237-L259 HydrophobicContact CG2-CD1 4.4Å; V237-L259 HydrophobicContact CG2-CD2 4.09Å
238V88.6Confident87.3Confident45 Ų4543.4 Ų43.427%0.27325%0.245SC..Hα-helixtrans-61.6-34177.5-174.40000111.1Y187 Y191 L235 A236 T240 I241 N242Y187-V238 WeakPolarHBondContact OH-CG1 3.47Å; Y191-V238 HydrophobicContact CE2-CB 4.18Å; Y191-V238 HydrophobicContact CE2-CG1 4.44Å; L235-V238 VanDerWaalsContact O-CB 3.29Å; L235-V238 WeakPolarHBondContact O-CB 3.44Å; L235-V238 PolarHBondContact O-N 3.22Å; L235-V238 VanDerWaalsContact O-N 3.09Å; A236-V238 VanDerWaalsContact C-N 3.28Å; A236-V238 PolarHBondContact O-N 3.49Å; V238-T240 PolarHBondContact O-N 3.45Å; V238-I241 PolarHBondContact O-N 3.21Å; V238-N242 WeakPolarHBondContact O-CB 3Å; V238-N242 PolarHBondContact O-N 3.18Å; V238-N242 PolarHBondContact O-ND2 3.05Å
239E86.4Confident86.1Confident28 Ų2847.7 Ų47.713%0.13128%0.275CS..Hα-helixtrans-62.2-43.3174.4-172.6178.1170.200111.5Y191 A236 V237 I241 N242 A243 R296 Y297Y191-E239 HydrophobicContact CE1-CB 4.33Å; Y191-E239 WeakPolarHBondContact OH-CB 3.34Å; A236-E239 WeakPolarHBondContact O-CB 3.44Å; A236-E239 PolarHBondContact O-N 3.08Å; V237-E239 PolarHBondContact O-N 3.46Å; E239-I241 VanDerWaalsContact C-N 3.35Å; E239-N242 PolarHBondContact O-N 3.48Å; E239-A243 WeakPolarHBondContact O-CB 3.49Å; E239-A243 PolarHBondContact O-N 3.23Å; E239-R296 IonicContact OE2-CZ 3.4Å; E239-R296 IonicContact OE2-NH2 2.71Å; E239-R296 PolarHBondContact OE2-NH2 3.04Å; E239-R296 VanDerWaalsContact OE2-NH2 3.12Å; E239-Y297 PolarHBondContact OE2-OH 3.28Å
240T85.8Confident85Confident17 Ų1749.4 Ų49.410%0.10429%0.287CS..Hα-helixtrans-68.1-37.5178.5-57.50000111A236 V237 V238 A243 A244 L256 L259A236-T240 PolarHBondContact O-N 3.36Å; V237-T240 PolarHBondContact O-N 3.46Å; V237-T240 VanDerWaalsContact O-N 3.08Å; V238-T240 PolarHBondContact O-N 3.45Å; T240-A243 PolarHBondContact O-N 3.45Å; T240-A244 WeakPolarHBondContact O-CB 3.24Å; T240-A244 PolarHBondContact O-N 3.13Å; T240-L256 HydrophobicContact CG2-CB 4.13Å; T240-L256 HydrophobicContact CG2-CD1 3.86Å; T240-L259 HydrophobicContact CG2-CD2 4.49Å; T240-L259 WeakPolarHBondContact OG1-CD2 3.44Å
241I86.8Confident84.2Confident86 Ų8650 Ų5044%0.44130%0.297SS..Hα-helixtrans-63.3-45.9172.7-65.7169.4000110.5V237 V238 E239 A243 A244 I245V237-I241 HydrophobicContact CG1-CD1 4.1Å; V237-I241 WeakPolarHBondContact O-CG1 3.42Å; V237-I241 PolarHBondContact O-N 3.29Å; V238-I241 PolarHBondContact O-N 3.21Å; E239-I241 VanDerWaalsContact C-N 3.35Å; I241-A243 VanDerWaalsContact C-N 3.28Å; I241-A243 PolarHBondContact O-N 2.72Å; I241-A244 WeakPolarHBondContact O-CB 3.28Å; I241-A244 PolarHBondContact O-N 3.12Å; I241-I245 HydrophobicContact CG2-CD1 3.63Å; I241-I245 HydrophobicContact CG2-CG1 4.33Å; I241-I245 WeakPolarHBondContact O-CG1 3.41Å; I241-I245 PolarHBondContact O-N 3.49Å
242N86.5Confident83.6Confident14 Ų1447.7 Ų47.78%0.07529%0.291CS..Hα-helixtrans-61.6-36.7177.2-74.4-23.7000112Y187 V238 E239 G246 V247 T248Y187-N242 PolarHBondContact OH-ND2 2.63Å; Y187-N242 VanDerWaalsContact OH-ND2 3.1Å; V238-N242 WeakPolarHBondContact O-CB 3Å; V238-N242 PolarHBondContact O-N 3.18Å; V238-N242 PolarHBondContact O-ND2 3.05Å; E239-N242 PolarHBondContact O-N 3.48Å; N242-G246 PolarHBondContact O-N 3.4Å; N242-V247 HydrophobicContact CB-CB 4.21Å; N242-V247 WeakPolarHBondContact O-CA 3.41Å; N242-V247 WeakPolarHBondContact O-CB 3.49Å; N242-V247 PolarHBondContact O-N 3.38Å; N242-T248 PolarHBondContact O-N 2.86Å
243A84.8Confident83Confident7 Ų753.4 Ų53.46%0.05832%0.321CS..Hα-helixtrans-67.6-40.9171.900000112.1E239 T240 I241 G246 T248 V252E239-A243 WeakPolarHBondContact O-CB 3.49Å; E239-A243 PolarHBondContact O-N 3.23Å; T240-A243 PolarHBondContact O-N 3.45Å; I241-A243 VanDerWaalsContact C-N 3.28Å; I241-A243 PolarHBondContact O-N 2.72Å; A243-G246 PolarHBondContact O-N 3.32Å; A243-T248 WeakPolarHBondContact CA-OG1 3.49Å; A243-V252 HydrophobicContact CB-CG2 4.24Å; A243-V252 WeakPolarHBondContact O-CG2 3.26Å
244A83.8Confident82.4Confident68 Ų6854.6 Ų54.656%0.56233%0.329SS*.Hα-helixtrans-66.2-37.9179.800000113.1T240 I241 G246 V252T240-A244 WeakPolarHBondContact O-CB 3.24Å; T240-A244 PolarHBondContact O-N 3.13Å; I241-A244 WeakPolarHBondContact O-CB 3.28Å; I241-A244 PolarHBondContact O-N 3.12Å; A244-G246 PolarHBondContact O-N 3.32Å; A244-V252 HydrophobicContact CB-CG1 4.28Å
245I84.1Confident82Confident122 Ų12251.1 Ų51.163%0.62632%0.315SS*.THydrogen-bonded Turntrans-75.2-13177-62.1170.9000111.6I241 V247I241-I245 HydrophobicContact CG2-CD1 3.63Å; I241-I245 HydrophobicContact CG2-CG1 4.33Å; I241-I245 WeakPolarHBondContact O-CG1 3.41Å; I241-I245 PolarHBondContact O-N 3.49Å; I245-V247 HydrophobicContact CB-CG2 4.25Å; I245-V247 HydrophobicContact CG2-CG2 3.96Å
246G77.1Confident81.7Confident45 Ų4552.3 Ų52.346%0.46432%0.321SS..THydrogen-bonded Turntrans84.113.7-176.600000114.1R184 N242 A243 A244 T248R184-G246 PolarHBondContact NH2-O 3Å; N242-G246 PolarHBondContact O-N 3.4Å; A243-G246 PolarHBondContact O-N 3.32Å; A244-G246 PolarHBondContact O-N 3.32Å; G246-T248 PolarHBondContact O-N 3.47Å
247V77.8Confident81.6Confident32 Ų3256.2 Ų56.219%0.19434%0.34CS..SBendtrans-68.3-19.6171.5-178.40000111.3R184 L188 N242 I245R184-V247 HydrophobicContact CG-CG1 4.16Å; R184-V247 VanDerWaalsContact CZ-O 3.25Å; R184-V247 PolarHBondContact NE-O 3.2Å; R184-V247 VanDerWaalsContact NE-O 3.12Å; R184-V247 PolarHBondContact NH2-O 3.21Å; L188-V247 HydrophobicContact CD1-CG1 4.43Å; L188-V247 HydrophobicContact CD2-CG1 4.32Å; N242-V247 HydrophobicContact CB-CB 4.21Å; N242-V247 WeakPolarHBondContact O-CA 3.41Å; N242-V247 WeakPolarHBondContact O-CB 3.49Å; N242-V247 PolarHBondContact O-N 3.38Å; I245-V247 HydrophobicContact CB-CG2 4.25Å; I245-V247 HydrophobicContact CG2-CG2 3.96Å
248T74.3Confident81.4Confident34 Ų3456.2 Ų56.221%0.20934%0.337CS..SBendtrans-131.1149.8170.564.20000110.9L188 N242 A243 G246 S250L188-T248 HydrophobicContact CD1-CG2 4.47Å; L188-T248 HydrophobicContact CD2-CG2 3.9Å; N242-T248 PolarHBondContact O-N 2.86Å; A243-T248 WeakPolarHBondContact CA-OG1 3.49Å; G246-T248 PolarHBondContact O-N 3.47Å; T248-S250 PolarHBondContact O-N 3.3Å
249T67.4Low81.3Confident149 Ų14954.9 Ų54.991%0.91433%0.328SS*.  trans-80.414-178.155.40000113.6
250S71.4Confident81.4Confident36 Ų3658.6 Ų58.625%0.25235%0.348SS..SBendtrans-81.7142-174.6-68.30000111.1T248 V252T248-S250 PolarHBondContact O-N 3.3Å; S250-V252 PolarHBondContact O-N 2.96Å
251P76.3Confident81.5Confident59 Ų5958.5 Ų58.538%0.38335%0.351SS..  trans-66.112517728.4-33.6000110.1P254 S255P251-P254 HydrophobicContact CB-CG 4.17Å; P251-P254 HydrophobicContact CG-CG 4.1Å; P251-P254 WeakPolarHBondContact O-CD 3.5Å; P251-S255 PolarHBondContact O-OG 2.88Å
252V80.6Confident81.7Confident57 Ų5755.6 Ų55.635%0.34534%0.335SS..Hα-helixtrans-66.1-42.6-173.8-176.50000112.2A243 A244 S250 S255 L256A243-V252 HydrophobicContact CB-CG2 4.24Å; A243-V252 WeakPolarHBondContact O-CG2 3.26Å; A244-V252 HydrophobicContact CB-CG1 4.28Å; S250-V252 PolarHBondContact O-N 2.96Å; V252-S255 PolarHBondContact O-N 2.91Å; V252-L256 WeakPolarHBondContact O-CB 3.32Å; V252-L256 PolarHBondContact O-N 2.99Å
253L79.8Confident81.9Confident122 Ų12256.1 Ų56.164%0.63934%0.338SS*.Hα-helixtrans-63.6-48.6-171.8-174.772.8000113.5S255 L256 I257L253-S255 VanDerWaalsContact C-N 3.35Å; L253-S255 PolarHBondContact O-N 3.25Å; L253-L256 PolarHBondContact O-N 2.89Å; L253-I257 HydrophobicContact CD1-CD1 4.27Å; L253-I257 HydrophobicContact CG-CD1 4.07Å; L253-I257 WeakPolarHBondContact O-CG1 3.17Å; L253-I257 PolarHBondContact O-N 3.48Å; L253-I257 VanDerWaalsContact O-N 3.08Å
254P80.5Confident82.1Confident29 Ų2958.3 Ų58.319%0.18835%0.346CS..Hα-helixtrans-62.2-39.7175.1-23.134.9000113.1P251 I257 Q258P251-P254 HydrophobicContact CB-CG 4.17Å; P251-P254 HydrophobicContact CG-CG 4.1Å; P251-P254 WeakPolarHBondContact O-CD 3.5Å; P254-I257 PolarHBondContact O-N 3.37Å; P254-Q258 WeakPolarHBondContact O-CB 3.17Å; P254-Q258 VanDerWaalsContact O-CG 3.26Å; P254-Q258 WeakPolarHBondContact O-CG 3.28Å; P254-Q258 PolarHBondContact O-N 2.99Å
255S81.2Confident82.5Confident29 Ų2955.1 Ų55.120%0.20332%0.319CS..Hα-helixtrans-63.8-43.6178.1-60.50000111.7P251 V252 L253 Q258 L259P251-S255 PolarHBondContact O-OG 2.88Å; V252-S255 PolarHBondContact O-N 2.91Å; L253-S255 VanDerWaalsContact C-N 3.35Å; L253-S255 PolarHBondContact O-N 3.25Å; S255-Q258 PolarHBondContact O-N 3.26Å; S255-L259 WeakPolarHBondContact O-CB 3.35Å; S255-L259 PolarHBondContact O-N 2.97Å
256L84.9Confident82.9Confident66 Ų6649.3 Ų49.335%0.34629%0.289SS..Hα-helixtrans-63.1-45.7178-177.566.3000111.9T240 V252 L253 Q258 L259 L260T240-L256 HydrophobicContact CG2-CB 4.13Å; T240-L256 HydrophobicContact CG2-CD1 3.86Å; V252-L256 WeakPolarHBondContact O-CB 3.32Å; V252-L256 PolarHBondContact O-N 2.99Å; L253-L256 PolarHBondContact O-N 2.89Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-Q258 PolarHBondContact O-N 3.32Å; L256-L259 PolarHBondContact O-N 3.17Å; L256-L260 HydrophobicContact CD1-CD1 4.14Å; L256-L260 HydrophobicContact CD1-CG 4.21Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 HydrophobicContact CG-CG 4.4Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.27Å
257I85.4Confident83.5Confident89 Ų8950.7 Ų50.746%0.45628%0.283SS..Hα-helixtrans-63-42.2179.3-68.2168.7000110.9L253 P254 G261L253-I257 HydrophobicContact CD1-CD1 4.27Å; L253-I257 HydrophobicContact CG-CD1 4.07Å; L253-I257 WeakPolarHBondContact O-CG1 3.17Å; L253-I257 PolarHBondContact O-N 3.48Å; L253-I257 VanDerWaalsContact O-N 3.08Å; P254-I257 PolarHBondContact O-N 3.37Å; I257-G261 PolarHBondContact O-N 2.78Å
258Q85Confident84Confident46 Ų4651.6 Ų51.622%0.21529%0.286CS..Hα-helixtrans-65.1-44.3177.5-72.117514.500111.9P254 S255 L256 G261 R262 N380P254-Q258 WeakPolarHBondContact O-CB 3.17Å; P254-Q258 VanDerWaalsContact O-CG 3.26Å; P254-Q258 WeakPolarHBondContact O-CG 3.28Å; P254-Q258 PolarHBondContact O-N 2.99Å; S255-Q258 PolarHBondContact O-N 3.26Å; L256-Q258 VanDerWaalsContact C-N 3.34Å; L256-Q258 PolarHBondContact O-N 3.32Å; Q258-G261 PolarHBondContact O-N 3.11Å; Q258-R262 WeakPolarHBondContact O-CG 3.44Å; Q258-R262 PolarHBondContact O-N 2.65Å; Q258-N380 PolarHBondContact NE2-OD1 2.91Å
259L88.4Confident84.6Confident18 Ų1850 Ų509%0.09428%0.276CS..Hα-helixtrans-61.8-49.5177.4178.471000111.4A236 V237 T240 S255 L256 G261 R262 N263A236-L259 HydrophobicContact CB-CD1 3.76Å; V237-L259 HydrophobicContact CB-CD2 4.34Å; V237-L259 HydrophobicContact CG2-CD1 4.4Å; V237-L259 HydrophobicContact CG2-CD2 4.09Å; T240-L259 HydrophobicContact CG2-CD2 4.49Å; T240-L259 WeakPolarHBondContact OG1-CD2 3.44Å; S255-L259 WeakPolarHBondContact O-CB 3.35Å; S255-L259 PolarHBondContact O-N 2.97Å; L256-L259 PolarHBondContact O-N 3.17Å; L259-G261 VanDerWaalsContact C-N 3.29Å; L259-G261 PolarHBondContact O-N 3.01Å; L259-R262 PolarHBondContact O-N 3.12Å; L259-N263 WeakPolarHBondContact O-CB 2.97Å; L259-N263 PolarHBondContact O-N 3.25Å
260L88.3Confident85.7Confident105 Ų10542.9 Ų42.955%0.5523%0.233SC..Hα-helixtrans-61.3-39.9178.3-71.6175.4000111.5L256 F264L256-L260 HydrophobicContact CD1-CD1 4.14Å; L256-L260 HydrophobicContact CD1-CG 4.21Å; L256-L260 HydrophobicContact CG-CD1 3.96Å; L256-L260 HydrophobicContact CG-CG 4.4Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.25Å; L256-L260 PolarHBondContact O-N 3.27Å; L260-F264 VanDerWaalsContact O-CB 3.26Å; L260-F264 WeakPolarHBondContact O-CB 3.3Å; L260-F264 PolarHBondContact O-N 3.33Å
261G87.9Confident86.4Confident16 Ų1642.8 Ų42.817%0.16524%0.237CC..Hα-helixtrans-57.9-52.9175.300000112.3I257 Q258 L259 F264 I265 Y369I257-G261 PolarHBondContact O-N 2.78Å; Q258-G261 PolarHBondContact O-N 3.11Å; L259-G261 VanDerWaalsContact C-N 3.29Å; L259-G261 PolarHBondContact O-N 3.01Å; G261-F264 WeakPolarHBondContact O-CB 3.3Å; G261-F264 PolarHBondContact O-N 3.42Å; G261-I265 PolarHBondContact O-N 3.1Å; G261-Y369 PolarHBondContact O-OH 3.22Å
262R89.4Confident86.7Confident25 Ų2541.8 Ų41.89%0.09423%0.23CC..Hα-helixtrans-66.7-41.4-179.7-67.1-171.1-178.5176.63112.9Q258 L259 F264 I265 L266 W289 E293Q258-R262 WeakPolarHBondContact O-CG 3.44Å; Q258-R262 PolarHBondContact O-N 2.65Å; L259-R262 PolarHBondContact O-N 3.12Å; R262-F264 VanDerWaalsContact C-N 3.29Å; R262-F264 PolarHBondContact O-N 3.33Å; R262-I265 PolarHBondContact O-N 2.99Å; R262-L266 WeakPolarHBondContact O-CB 3.38Å; R262-L266 PolarHBondContact O-N 3.1Å; R262-W289 HydrophobicContact CB-CH2 3.68Å; R262-W289 HydrophobicContact CB-CZ2 3.82Å; R262-W289 HydrophobicContact CB-CZ3 4.15Å; R262-W289 HydrophobicContact CG-CD2 4.41Å; R262-W289 HydrophobicContact CG-CH2 4Å; R262-W289 HydrophobicContact CG-CZ2 3.62Å; R262-W289 WeakPolarHBondContact O-CH2 3.45Å; R262-E293 IonicContact CZ-OE1 2.72Å; R262-E293 IonicContact NH1-OE1 3.81Å; R262-E293 PolarHBondContact NH1-OE1 3.16Å; R262-E293 IonicContact NH2-OE1 3.81Å; R262-E293 PolarHBondContact NH2-OE1 2.79Å
263N91.4Very high86.7Confident25 Ų2539.4 Ų39.413%0.13422%0.215CC..Hα-helixtrans-65.4-34.8177.4-74.7-6.5000111.6L259 L266 F267L259-N263 WeakPolarHBondContact O-CB 2.97Å; L259-N263 PolarHBondContact O-N 3.25Å; N263-L266 PolarHBondContact O-N 3.41Å; N263-F267 HydrophobicContact CB-CD2 4.03Å; N263-F267 HydrophobicContact CB-CE2 4.35Å; N263-F267 WeakPolarHBondContact O-CB 3.27Å; N263-F267 WeakPolarHBondContact O-CD2 3.44Å; N263-F267 PolarHBondContact O-N 3.37Å
264F89.9Confident86.9Confident53 Ų5341 Ų4123%0.23222%0.219CC..Iπ-helixtrans-60.9-48.3173-175.9-93000111.3L260 G261 R262 I268 I269 F362 L366 Y369L260-F264 VanDerWaalsContact O-CB 3.26Å; L260-F264 WeakPolarHBondContact O-CB 3.3Å; L260-F264 PolarHBondContact O-N 3.33Å; G261-F264 WeakPolarHBondContact O-CB 3.3Å; G261-F264 PolarHBondContact O-N 3.42Å; R262-F264 VanDerWaalsContact C-N 3.29Å; R262-F264 PolarHBondContact O-N 3.33Å; F264-I268 HydrophobicContact CD2-CB 4.24Å; F264-I268 HydrophobicContact CD2-CG1 3.8Å; F264-I268 HydrophobicContact CE2-CB 4.21Å; F264-I268 HydrophobicContact CE2-CG1 4.02Å; F264-I268 HydrophobicContact CE2-CG2 4.17Å; F264-I268 HydrophobicContact CG-CG1 4.4Å; F264-I268 HydrophobicContact CZ-CG2 4.26Å; F264-I268 WeakPolarHBondContact O-CA 3.37Å; F264-I268 WeakPolarHBondContact O-CB 3.48Å; F264-I268 PolarHBondContact O-N 2.66Å; F264-I269 HydrophobicContact CD1-CG1 4.5Å; F264-I269 HydrophobicContact CE1-CD1 4.08Å; F264-I269 HydrophobicContact CE1-CG1 4.33Å; F264-I269 PolarHBondContact O-N 3.1Å; F264-F362 HydrophobicContact CZ-CZ 4.22Å; F264-L366 HydrophobicContact CE1-CD2 4.01Å; F264-L366 HydrophobicContact CZ-CD2 4.02Å; F264-Y369 HydrophobicContact CB-CE2 4.27Å; F264-Y369 AromaticContact CD1-CD1 3.92Å; F264-Y369 HydrophobicContact CD1-CD1 3.92Å; F264-Y369 HydrophobicContact CD1-CD2 4.04Å; F264-Y369 AromaticContact CD1-CE1 3.48Å; F264-Y369 HydrophobicContact CD1-CE1 3.48Å; F264-Y369 VanDerWaalsContact CD1-CE1 3.48Å; F264-Y369 AromaticContact CD1-CE2 3.64Å; F264-Y369 HydrophobicContact CD1-CE2 3.64Å; F264-Y369 HydrophobicContact CD1-CG 4.17Å; F264-Y369 AromaticContact CD1-CZ 3.34Å; F264-Y369 AromaticContact CE1-CD1 3.65Å; F264-Y369 HydrophobicContact CE1-CD1 3.65Å; F264-Y369 HydrophobicContact CE1-CD2 4.1Å; F264-Y369 AromaticContact CE1-CE1 3.7Å; F264-Y369 HydrophobicContact CE1-CE1 3.7Å; F264-Y369 HydrophobicContact CE1-CE2 4.16Å; F264-Y369 AromaticContact CE1-CG 3.86Å; F264-Y369 HydrophobicContact CE1-CG 3.86Å; F264-Y369 AromaticContact CE1-CZ 3.98Å; F264-Y369 HydrophobicContact CG-CE2 4Å; F264-Y369 HydrophobicContact CZ-CG 4.47Å
265I91.1Very high87.1Confident0 Ų044.9 Ų44.90%024%0.235CC..Iπ-helixtrans-61-49.5176.1-61.9-61.2000111.2G261 R262 I269 F270 W289 E331 V335 Y369G261-I265 PolarHBondContact O-N 3.1Å; R262-I265 PolarHBondContact O-N 2.99Å; I265-I269 HydrophobicContact CD1-CG1 4.05Å; I265-I269 WeakPolarHBondContact O-CA 3.36Å; I265-I269 VanDerWaalsContact O-CB 3.25Å; I265-I269 WeakPolarHBondContact O-CB 3.38Å; I265-I269 PolarHBondContact O-N 3.41Å; I265-I269 VanDerWaalsContact O-N 3.15Å; I265-F270 HydrophobicContact CG2-CD2 4.08Å; I265-F270 HydrophobicContact CG2-CE2 3.57Å; I265-F270 HydrophobicContact CG2-CZ 3.84Å; I265-F270 PolarHBondContact O-N 3.31Å; I265-W289 HydrophobicContact CB-CH2 4.07Å; I265-W289 HydrophobicContact CB-CZ2 4.31Å; I265-W289 HydrophobicContact CG2-CH2 4.12Å; I265-W289 HydrophobicContact CG2-CZ2 4.33Å; I265-E331 HydrophobicContact CD1-CB 4.5Å; I265-E331 HydrophobicContact CG1-CB 4.45Å; I265-E331 HydrophobicContact CG1-CG 4.21Å; I265-V335 HydrophobicContact CD1-CG2 3.59Å; I265-Y369 HydrophobicContact CD1-CE1 3.74Å
266L92.3Very high87.3Confident0 Ų043.5 Ų43.50%023%0.225CC..Iπ-helixtrans-66.9-53.6-174.2-175.665.4000112.3M229 Y230 Q233 R262 N263 F270 G271 F286 W289M229-L266 HydrophobicContact CG-CD1 3.95Å; M229-L266 HydrophobicContact CG-CD2 4.02Å; Y230-L266 HydrophobicContact CD1-CD1 4.47Å; Y230-L266 HydrophobicContact CD1-CD2 3.55Å; Y230-L266 HydrophobicContact CD1-CG 3.81Å; Y230-L266 HydrophobicContact CE1-CD1 4.11Å; Y230-L266 HydrophobicContact CE1-CD2 3.81Å; Y230-L266 HydrophobicContact CE1-CG 3.49Å; Y230-L266 VanDerWaalsContact CE1-CG 3.49Å; Y230-L266 HydrophobicContact CG-CD2 4.21Å; Y230-L266 PolarHBondContact OH-O 3.3Å; Q233-L266 HydrophobicContact CB-CD2 4.05Å; Q233-L266 HydrophobicContact CG-CD2 3.68Å; R262-L266 WeakPolarHBondContact O-CB 3.38Å; R262-L266 PolarHBondContact O-N 3.1Å; N263-L266 PolarHBondContact O-N 3.41Å; L266-F270 HydrophobicContact CD1-CD2 4.49Å; L266-G271 PolarHBondContact O-N 3.07Å; L266-F286 HydrophobicContact CD1-CE1 3.71Å; L266-F286 HydrophobicContact CD1-CZ 3.63Å; L266-W289 HydrophobicContact CB-CZ3 4.4Å
267F90.4Very high87.4Confident75 Ų7541.3 Ų41.333%0.32921%0.213SC..Iπ-helixtrans-81.4-42.6-174.4-70.9-83.1000112.9Y230 M234 N263 G271 T272Y230-F267 AromaticContact CD1-CD1 3.98Å; Y230-F267 HydrophobicContact CD1-CD1 3.98Å; Y230-F267 AromaticContact CD1-CE1 3.41Å; Y230-F267 HydrophobicContact CD1-CE1 3.41Å; Y230-F267 VanDerWaalsContact CD1-CE1 3.41Å; Y230-F267 HydrophobicContact CD1-CE2 4.2Å; Y230-F267 AromaticContact CD1-CZ 3.55Å; Y230-F267 HydrophobicContact CD1-CZ 3.55Å; Y230-F267 AromaticContact CE1-CD1 3.55Å; Y230-F267 HydrophobicContact CE1-CD1 3.55Å; Y230-F267 HydrophobicContact CE1-CD2 4.48Å; Y230-F267 AromaticContact CE1-CE1 3.5Å; Y230-F267 HydrophobicContact CE1-CE1 3.5Å; Y230-F267 HydrophobicContact CE1-CE2 4.44Å; Y230-F267 HydrophobicContact CE1-CG 4.07Å; Y230-F267 AromaticContact CE1-CZ 3.98Å; Y230-F267 HydrophobicContact CE1-CZ 3.98Å; M234-F267 HydrophobicContact CG-CZ 4.3Å; M234-F267 HydrophobicContact SD-CE2 4.28Å; M234-F267 HydrophobicContact SD-CZ 3.7Å; N263-F267 HydrophobicContact CB-CD2 4.03Å; N263-F267 HydrophobicContact CB-CE2 4.35Å; N263-F267 WeakPolarHBondContact O-CB 3.27Å; N263-F267 WeakPolarHBondContact O-CD2 3.44Å; N263-F267 PolarHBondContact O-N 3.37Å; F267-G271 VanDerWaalsContact O-CA 3.32Å; F267-G271 WeakPolarHBondContact O-CA 3.47Å; F267-G271 PolarHBondContact O-N 3.47Å; F267-T272 PolarHBondContact O-N 3.37Å
268I87.8Confident87.4Confident51 Ų5140.6 Ų40.626%0.26221%0.211SC..Iπ-helixtrans-83.8-50.6-175.7-52.4-60.9000110.6F264 T272 F362F264-I268 HydrophobicContact CD2-CB 4.24Å; F264-I268 HydrophobicContact CD2-CG1 3.8Å; F264-I268 HydrophobicContact CE2-CB 4.21Å; F264-I268 HydrophobicContact CE2-CG1 4.02Å; F264-I268 HydrophobicContact CE2-CG2 4.17Å; F264-I268 HydrophobicContact CG-CG1 4.4Å; F264-I268 HydrophobicContact CZ-CG2 4.26Å; F264-I268 WeakPolarHBondContact O-CA 3.37Å; F264-I268 WeakPolarHBondContact O-CB 3.48Å; F264-I268 PolarHBondContact O-N 2.66Å; I268-T272 WeakPolarHBondContact O-CB 3.41Å; I268-T272 WeakPolarHBondContact O-CG2 3.46Å; I268-T272 PolarHBondContact O-OG1 3.02Å; I268-F362 HydrophobicContact CG2-CE1 4.38Å; I268-F362 HydrophobicContact CG2-CZ 3.94Å
269I87.5Confident87.6Confident0 Ų041 Ų410%021%0.212CC..Iπ-helixtrans-77.3-54.3-174.5-51.9-60000111.3F264 I265 M276 F342 L366F264-I269 HydrophobicContact CD1-CG1 4.5Å; F264-I269 HydrophobicContact CE1-CD1 4.08Å; F264-I269 HydrophobicContact CE1-CG1 4.33Å; F264-I269 PolarHBondContact O-N 3.1Å; I265-I269 HydrophobicContact CD1-CG1 4.05Å; I265-I269 WeakPolarHBondContact O-CA 3.36Å; I265-I269 VanDerWaalsContact O-CB 3.25Å; I265-I269 WeakPolarHBondContact O-CB 3.38Å; I265-I269 PolarHBondContact O-N 3.41Å; I265-I269 VanDerWaalsContact O-N 3.15Å; I269-M276 HydrophobicContact CG2-CE 4.08Å; I269-F342 HydrophobicContact CD1-CE2 4Å; I269-L366 HydrophobicContact CD1-CD2 3.65Å
270F89.9Confident87.7Confident0 Ų041.6 Ų41.60%022%0.219CC..Iπ-helixtrans-84.9-37.3-177-55.7-34.4000113.2F222 I265 L266 M276 Q277 V282 V285 F286F222-F270 HydrophobicContact CD2-CB 4.25Å; F222-F270 HydrophobicContact CE2-CB 3.61Å; F222-F270 HydrophobicContact CZ-CB 4.38Å; I265-F270 HydrophobicContact CG2-CD2 4.08Å; I265-F270 HydrophobicContact CG2-CE2 3.57Å; I265-F270 HydrophobicContact CG2-CZ 3.84Å; I265-F270 PolarHBondContact O-N 3.31Å; L266-F270 HydrophobicContact CD1-CD2 4.49Å; F270-M276 HydrophobicContact CD1-CB 4.25Å; F270-M276 HydrophobicContact CE1-CE 4.26Å; F270-Q277 WeakPolarHBondContact O-CG 3.5Å; F270-Q277 PolarHBondContact O-NE2 2.96Å; F270-V282 HydrophobicContact CD1-CG2 3.92Å; F270-V282 HydrophobicContact CE1-CG2 3.74Å; F270-V282 HydrophobicContact CE2-CG2 4.41Å; F270-V282 HydrophobicContact CG-CG2 4.35Å; F270-V282 HydrophobicContact CZ-CG2 4Å; F270-V285 HydrophobicContact CE2-CB 4.32Å; F270-V285 HydrophobicContact CE2-CG1 4.12Å; F270-V285 HydrophobicContact CZ-CB 4.42Å; F270-V285 HydrophobicContact CZ-CG2 4.23Å; F270-F286 AromaticContact CD2-CE1 3.98Å; F270-F286 HydrophobicContact CD2-CE1 3.98Å; F270-F286 HydrophobicContact CD2-CZ 4.36Å; F270-F286 HydrophobicContact CE2-CE1 4.05Å
271G85.8Confident87.8Confident33 Ų3337.2 Ų37.234%0.3420%0.196SC..THydrogen-bonded Turntrans-70.8-29.7-177.400000115Y230 L266 F267Y230-G271 WeakPolarHBondContact OH-CA 3.29Å; L266-G271 PolarHBondContact O-N 3.07Å; F267-G271 VanDerWaalsContact O-CA 3.32Å; F267-G271 WeakPolarHBondContact O-CA 3.47Å; F267-G271 PolarHBondContact O-N 3.47Å
272T83.8Confident88Confident39 Ų3936.4 Ų36.424%0.23919%0.188CC..SBendtrans-93.8-13.1-178.172.80000114.6F267 I268 R347 F348F267-T272 PolarHBondContact O-N 3.37Å; I268-T272 WeakPolarHBondContact O-CB 3.41Å; I268-T272 WeakPolarHBondContact O-CG2 3.46Å; I268-T272 PolarHBondContact O-OG1 3.02Å; T272-R347 PolarHBondContact O-NH1 3.38Å; T272-R347 VanDerWaalsContact O-NH1 3.11Å; T272-F348 HydrophobicContact CG2-CE2 4.32Å; T272-F348 HydrophobicContact CG2-CZ 4.48Å
273M80.1Confident88.1Confident6 Ų635.8 Ų35.83%0.0319%0.186CC..  trans-128.7105.9-171.3-51.8-159.994.200111.7E275 M276 Q277 I341 F342 T345M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 PolarHBondContact O-N 2.99Å; M273-M276 HydrophobicContact CB-CB 4.1Å; M273-M276 HydrophobicContact CB-CG 3.97Å; M273-M276 PolarHBondContact O-N 3.43Å; M273-M276 VanDerWaalsContact O-N 3.16Å; M273-M276 HydrophobicContact SD-CG 4.19Å; M273-Q277 WeakPolarHBondContact O-CG 3.41Å; M273-I341 HydrophobicContact CE-CB 3.68Å; M273-I341 HydrophobicContact CE-CG2 3.23Å; M273-I341 HydrophobicContact SD-CB 4.23Å; M273-I341 HydrophobicContact SD-CG2 4.18Å; M273-F342 HydrophobicContact CE-CD1 4.18Å; M273-F342 HydrophobicContact CE-CD2 4.29Å; M273-F342 HydrophobicContact CE-CE1 4.3Å; M273-F342 HydrophobicContact CE-CE2 4.41Å; M273-F342 HydrophobicContact CE-CG 4.17Å; M273-F342 HydrophobicContact CE-CZ 4.41Å; M273-F342 HydrophobicContact CG-CE1 4.4Å; M273-F342 HydrophobicContact CG-CE2 4.22Å; M273-F342 HydrophobicContact CG-CZ 3.92Å; M273-F342 HydrophobicContact SD-CD1 4.23Å; M273-F342 HydrophobicContact SD-CD2 3.58Å; M273-F342 VanDerWaalsContact SD-CD2 3.58Å; M273-F342 HydrophobicContact SD-CE1 3.99Å; M273-F342 HydrophobicContact SD-CE2 3.3Å; M273-F342 WeakPolarHBondContact SD-CE2 3.26Å; M273-F342 HydrophobicContact SD-CG 4.04Å; M273-F342 HydrophobicContact SD-CZ 3.52Å; M273-F342 VanDerWaalsContact SD-CZ 3.52Å; M273-T345 HydrophobicContact CE-CG2 4.05Å
274E84.1Confident88.2Confident155 Ų15539.6 Ų39.672%0.72420%0.202SC*.Hα-helixtrans-61.5-34.5175.3-66.7175.7-170.400112.1M276 Q277E274-M276 PolarHBondContact O-N 2.79Å; E274-Q277 WeakPolarHBondContact O-CB 3.49Å; E274-Q277 PolarHBondContact O-N 3.32Å
275E83.9Confident88.4Confident111 Ų11137 Ų3752%0.51919%0.191SC..Hα-helixtrans-62.9-28.2176.9-66.9179.8-143.500113.7M273 I341M273-E275 VanDerWaalsContact C-N 3.26Å; M273-E275 PolarHBondContact O-N 2.99Å; E275-I341 HydrophobicContact CB-CD1 4.18Å; E275-I341 HydrophobicContact CB-CG2 4.37Å; E275-I341 VanDerWaalsContact OE2-CG2 3.31Å; E275-I341 WeakPolarHBondContact OE2-CG2 3.49Å
276M85.3Confident88.5Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-79.1-26.1176.2-73.6-62-63.500112.2I269 F270 M273 E274 N278 K279 V282 S334 Q337 I341I269-M276 HydrophobicContact CG2-CE 4.08Å; F270-M276 HydrophobicContact CD1-CB 4.25Å; F270-M276 HydrophobicContact CE1-CE 4.26Å; M273-M276 HydrophobicContact CB-CB 4.1Å; M273-M276 HydrophobicContact CB-CG 3.97Å; M273-M276 PolarHBondContact O-N 3.43Å; M273-M276 VanDerWaalsContact O-N 3.16Å; M273-M276 HydrophobicContact SD-CG 4.19Å; E274-M276 PolarHBondContact O-N 2.79Å; M276-N278 VanDerWaalsContact C-N 3.27Å; M276-N278 PolarHBondContact O-N 3.04Å; M276-K279 HydrophobicContact CE-CD 4.37Å; M276-K279 PolarHBondContact O-N 2.9Å; M276-K279 VanDerWaalsContact O-N 3.14Å; M276-K279 HydrophobicContact SD-CD 3.83Å; M276-V282 VanDerWaalsContact O-CG2 3.24Å; M276-V282 WeakPolarHBondContact O-CG2 3.32Å; M276-S334 VanDerWaalsContact CE-O 3.27Å; M276-S334 WeakPolarHBondContact CE-O 3.14Å; M276-Q337 HydrophobicContact CE-CB 4.17Å; M276-Q337 HydrophobicContact SD-CB 4.38Å; M276-I341 HydrophobicContact CG-CD1 3.84Å; M276-I341 HydrophobicContact SD-CD1 3.44Å; M276-I341 WeakPolarHBondContact SD-CD1 2.92Å
277Q87.4Confident88.6Confident21 Ų2140.6 Ų40.610%0.09820%0.204CC..Hα-helixtrans-65.2-34.2-178.1-63.61745.700111.7F222 F270 M273 E274 K279F222-Q277 HydrophobicContact CB-CB 3.84Å; F222-Q277 HydrophobicContact CB-CG 4.38Å; F222-Q277 HydrophobicContact CD1-CB 3.64Å; F222-Q277 HydrophobicContact CD1-CG 3.39Å; F222-Q277 HydrophobicContact CD2-CB 4.3Å; F222-Q277 HydrophobicContact CD2-CG 3.97Å; F222-Q277 HydrophobicContact CE1-CB 4.27Å; F222-Q277 HydrophobicContact CE1-CG 3.49Å; F222-Q277 VanDerWaalsContact CE1-CG 3.49Å; F222-Q277 VanDerWaalsContact CE1-NE2 3.27Å; F222-Q277 HydrophobicContact CE2-CG 4.06Å; F222-Q277 HydrophobicContact CG-CB 3.65Å; F222-Q277 HydrophobicContact CG-CG 3.64Å; F222-Q277 HydrophobicContact CZ-CG 3.82Å; F270-Q277 WeakPolarHBondContact O-CG 3.5Å; F270-Q277 PolarHBondContact O-NE2 2.96Å; M273-Q277 WeakPolarHBondContact O-CG 3.41Å; E274-Q277 WeakPolarHBondContact O-CB 3.49Å; E274-Q277 PolarHBondContact O-N 3.32Å; Q277-K279 VanDerWaalsContact C-N 3.28Å; Q277-K279 PolarHBondContact O-N 3.39Å
278N86.7Confident88.7Confident74 Ų7438 Ų3840%0.39619%0.194SC..THydrogen-bonded Turntrans-81-0.2177.6-67.3-38.7000113.5Y219 M276Y219-N278 HydrophobicContact CD1-CB 4.4Å; Y219-N278 WeakPolarHBondContact CD1-O 3.24Å; Y219-N278 VanDerWaalsContact CE1-O 3.25Å; Y219-N278 WeakPolarHBondContact CE1-O 3.39Å; M276-N278 VanDerWaalsContact C-N 3.27Å; M276-N278 PolarHBondContact O-N 3.04Å
279K89.1Confident89Confident55 Ų5535.7 Ų35.724%0.23918%0.182CC..SBendtrans-87.1139.9-179.3-61.1-161.2-174.6-179.10111.5M276 Q277 V281 V282 Q337M276-K279 HydrophobicContact CE-CD 4.37Å; M276-K279 PolarHBondContact O-N 2.9Å; M276-K279 VanDerWaalsContact O-N 3.14Å; M276-K279 HydrophobicContact SD-CD 3.83Å; Q277-K279 VanDerWaalsContact C-N 3.28Å; Q277-K279 PolarHBondContact O-N 3.39Å; K279-V281 PolarHBondContact O-N 2.82Å; K279-V282 WeakPolarHBondContact O-CB 3.39Å; K279-V282 WeakPolarHBondContact O-CG2 3.19Å; K279-V282 PolarHBondContact O-N 3.33Å; K279-Q337 HydrophobicContact CD-CB 4.48Å; K279-Q337 PolarHBondContact NZ-O 3Å
280A89.6Confident89.3Confident29 Ų2935.7 Ų35.724%0.2418%0.182CC..THydrogen-bonded Turntrans-57.9-18.2177.600000114.7F218 V282 F283 F284F218-A280 HydrophobicContact CB-CB 3.81Å; F218-A280 HydrophobicContact CD2-CB 4.13Å; F218-A280 HydrophobicContact CG-CB 4.03Å; A280-V282 PolarHBondContact O-N 3.41Å; A280-F283 WeakPolarHBondContact O-CB 3.5Å; A280-F283 PolarHBondContact O-N 3.3Å; A280-F284 VanDerWaalsContact O-CD2 3.25Å; A280-F284 WeakPolarHBondContact O-CD2 3.28Å; A280-F284 PolarHBondContact O-N 3.31Å
281V90.9Very high89.4Confident13 Ų1336.1 Ų36.18%0.07919%0.186CC..Hα-helixtrans-59.9-34.1175.3-173.90000111.7K279 F283 F284 V285 A330 I333 Q337K279-V281 PolarHBondContact O-N 2.82Å; V281-F283 VanDerWaalsContact C-N 3.31Å; V281-F283 PolarHBondContact O-N 3Å; V281-F284 PolarHBondContact O-N 3.09Å; V281-V285 HydrophobicContact CG1-CG2 4.2Å; V281-V285 WeakPolarHBondContact O-CG2 3.09Å; V281-V285 PolarHBondContact O-N 3.22Å; V281-A330 WeakPolarHBondContact CG1-O 3.43Å; V281-I333 HydrophobicContact CG1-CG2 4.27Å; V281-I333 HydrophobicContact CG2-CG2 3.81Å; V281-Q337 VanDerWaalsContact CG2-NE2 3.28Å
282V91.6Very high89.7Confident0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-58.9-44.8178.5179.50000110.7T221 F222 F270 M276 K279 A280 F284 V285 F286T221-V282 HydrophobicContact CG2-CG1 4.33Å; F222-V282 HydrophobicContact CB-CG1 4.19Å; F222-V282 HydrophobicContact CD2-CG1 4Å; F270-V282 HydrophobicContact CD1-CG2 3.92Å; F270-V282 HydrophobicContact CE1-CG2 3.74Å; F270-V282 HydrophobicContact CE2-CG2 4.41Å; F270-V282 HydrophobicContact CG-CG2 4.35Å; F270-V282 HydrophobicContact CZ-CG2 4Å; M276-V282 VanDerWaalsContact O-CG2 3.24Å; M276-V282 WeakPolarHBondContact O-CG2 3.32Å; K279-V282 WeakPolarHBondContact O-CB 3.39Å; K279-V282 WeakPolarHBondContact O-CG2 3.19Å; K279-V282 PolarHBondContact O-N 3.33Å; A280-V282 PolarHBondContact O-N 3.41Å; V282-F284 PolarHBondContact O-N 3.34Å; V282-V285 PolarHBondContact O-N 2.89Å; V282-F286 HydrophobicContact CG1-CD1 4.44Å; V282-F286 HydrophobicContact CG1-CD2 4.06Å; V282-F286 HydrophobicContact CG1-CE1 4.26Å; V282-F286 HydrophobicContact CG1-CE2 3.87Å; V282-F286 HydrophobicContact CG1-CG 4.35Å; V282-F286 HydrophobicContact CG1-CZ 3.97Å; V282-F286 PolarHBondContact O-N 3.38Å
283F92.4Very high90.1Very high12 Ų1233.5 Ų33.55%0.05316%0.162CC..Hα-helixtrans-57-50176.8176.6-89.5000111.6L206 F210 F218 T221 A280 V281 V285 F286 Y287L206-F283 HydrophobicContact CB-CE2 3.98Å; L206-F283 HydrophobicContact CD2-CD2 3.94Å; L206-F283 HydrophobicContact CD2-CE2 4.1Å; F210-F283 HydrophobicContact CB-CE2 4.19Å; F210-F283 HydrophobicContact CB-CZ 3.95Å; F210-F283 HydrophobicContact CD2-CZ 4.17Å; F210-F283 HydrophobicContact CG-CZ 4.18Å; F218-F283 HydrophobicContact CD1-CB 3.87Å; F218-F283 AromaticContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD1 3.79Å; F218-F283 HydrophobicContact CD1-CD2 4Å; F218-F283 HydrophobicContact CD1-CE1 4.35Å; F218-F283 AromaticContact CD1-CG 3.61Å; F218-F283 HydrophobicContact CD1-CG 3.61Å; F218-F283 AromaticContact CE1-CD1 3.61Å; F218-F283 HydrophobicContact CE1-CD1 3.61Å; F218-F283 HydrophobicContact CE1-CD2 4.36Å; F218-F283 AromaticContact CE1-CE1 3.81Å; F218-F283 HydrophobicContact CE1-CE1 3.81Å; F218-F283 AromaticContact CE1-CG 3.92Å; F218-F283 HydrophobicContact CE1-CG 3.92Å; F218-F283 HydrophobicContact CE1-CZ 4.27Å; T221-F283 HydrophobicContact CG2-CB 4.32Å; T221-F283 HydrophobicContact CG2-CD2 4.4Å; T221-F283 WeakPolarHBondContact OG1-CD2 3.46Å; A280-F283 WeakPolarHBondContact O-CB 3.5Å; A280-F283 PolarHBondContact O-N 3.3Å; V281-F283 VanDerWaalsContact C-N 3.31Å; V281-F283 PolarHBondContact O-N 3Å; F283-V285 PolarHBondContact O-N 2.92Å; F283-F286 PolarHBondContact O-N 2.89Å; F283-Y287 HydrophobicContact CZ-CD2 4.29Å; F283-Y287 WeakPolarHBondContact O-CB 3.2Å; F283-Y287 PolarHBondContact O-N 3.33Å
284F92.5Very high90.7Very high104 Ų10434.2 Ų34.246%0.45617%0.166SC..Hα-helixtrans-63-41.5-179.7-69.1-68.9000112.4A280 V281 V282 L288 A330A280-F284 VanDerWaalsContact O-CD2 3.25Å; A280-F284 WeakPolarHBondContact O-CD2 3.28Å; A280-F284 PolarHBondContact O-N 3.31Å; V281-F284 PolarHBondContact O-N 3.09Å; V282-F284 PolarHBondContact O-N 3.34Å; F284-L288 VanDerWaalsContact O-CB 3.32Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 WeakPolarHBondContact O-CD1 3.5Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 2.87Å; F284-A330 HydrophobicContact CB-CB 4.3Å
285V93.7Very high91Very high0 Ų030 Ų300%015%0.145CC..Hα-helixtrans-62.2-52.4177.41740000110.4F270 V281 V282 F283 Y287 L288 W289 A330F270-V285 HydrophobicContact CE2-CB 4.32Å; F270-V285 HydrophobicContact CE2-CG1 4.12Å; F270-V285 HydrophobicContact CZ-CB 4.42Å; F270-V285 HydrophobicContact CZ-CG2 4.23Å; V281-V285 HydrophobicContact CG1-CG2 4.2Å; V281-V285 WeakPolarHBondContact O-CG2 3.09Å; V281-V285 PolarHBondContact O-N 3.22Å; V282-V285 PolarHBondContact O-N 2.89Å; F283-V285 PolarHBondContact O-N 2.92Å; V285-Y287 VanDerWaalsContact C-N 3.34Å; V285-Y287 PolarHBondContact O-N 3.44Å; V285-L288 PolarHBondContact O-N 3.42Å; V285-W289 HydrophobicContact CG1-CD2 3.79Å; V285-W289 VanDerWaalsContact CG1-CE2 3.47Å; V285-W289 HydrophobicContact CG1-CE3 4.15Å; V285-W289 HydrophobicContact CG1-CG 4.38Å; V285-W289 HydrophobicContact CG1-CH2 3.94Å; V285-W289 HydrophobicContact CG1-CZ2 3.56Å; V285-W289 HydrophobicContact CG1-CZ3 4.23Å; V285-W289 WeakPolarHBondContact O-CB 3.08Å; V285-W289 VanDerWaalsContact O-CG 3.24Å; V285-W289 PolarHBondContact O-N 3.34Å; V285-A330 HydrophobicContact CG2-CB 3.71Å
286F94.4Very high91.3Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-65.8-37.3-177.6-73.46.4000112.4L206 T221 F222 V225 M229 L266 F270 V282 F283 S290L206-F286 HydrophobicContact CD1-CB 3.94Å; T221-F286 HydrophobicContact CG2-CD2 4.19Å; F222-F286 HydrophobicContact CD2-CE2 4.3Å; F222-F286 HydrophobicContact CD2-CZ 4.14Å; F222-F286 HydrophobicContact CE2-CZ 4.33Å; V225-F286 HydrophobicContact CG1-CD2 4.33Å; M229-F286 HydrophobicContact CB-CE2 4.26Å; M229-F286 HydrophobicContact CB-CZ 4.29Å; M229-F286 HydrophobicContact CE-CB 3.81Å; M229-F286 HydrophobicContact CE-CD1 3.84Å; M229-F286 HydrophobicContact CE-CD2 4.2Å; M229-F286 HydrophobicContact CE-CE1 4.46Å; M229-F286 HydrophobicContact CE-CG 3.69Å; M229-F286 HydrophobicContact CG-CD1 4.26Å; M229-F286 HydrophobicContact CG-CE1 3.94Å; M229-F286 HydrophobicContact CG-CE2 4.33Å; M229-F286 HydrophobicContact CG-CZ 3.98Å; L266-F286 HydrophobicContact CD1-CE1 3.71Å; L266-F286 HydrophobicContact CD1-CZ 3.63Å; F270-F286 AromaticContact CD2-CE1 3.98Å; F270-F286 HydrophobicContact CD2-CE1 3.98Å; F270-F286 HydrophobicContact CD2-CZ 4.36Å; F270-F286 HydrophobicContact CE2-CE1 4.05Å; V282-F286 HydrophobicContact CG1-CD1 4.44Å; V282-F286 HydrophobicContact CG1-CD2 4.06Å; V282-F286 HydrophobicContact CG1-CE1 4.26Å; V282-F286 HydrophobicContact CG1-CE2 3.87Å; V282-F286 HydrophobicContact CG1-CG 4.35Å; V282-F286 HydrophobicContact CG1-CZ 3.97Å; V282-F286 PolarHBondContact O-N 3.38Å; F283-F286 PolarHBondContact O-N 2.89Å; F286-S290 VanDerWaalsContact O-CB 3.31Å; F286-S290 WeakPolarHBondContact O-CB 3.32Å; F286-S290 PolarHBondContact O-N 3.5Å; F286-S290 PolarHBondContact O-OG 2.92Å
287Y93.2Very high91.5Very high74 Ų7426.6 Ų26.629%0.2913%0.128SC..Hα-helixtrans-65.9-47.9177.3-171-95.1000111.9F203 L206 F283 V285 S290 A291F203-Y287 HydrophobicContact CD2-CD2 4.23Å; F203-Y287 AromaticContact CD2-CE2 3.86Å; F203-Y287 HydrophobicContact CD2-CE2 3.86Å; F203-Y287 HydrophobicContact CE2-CD2 4.21Å; F203-Y287 HydrophobicContact CE2-CE1 4.02Å; F203-Y287 AromaticContact CE2-CE2 3.49Å; F203-Y287 HydrophobicContact CE2-CE2 3.49Å; F203-Y287 VanDerWaalsContact CE2-CE2 3.49Å; F203-Y287 AromaticContact CE2-CZ 3.37Å; F203-Y287 WeakPolarHBondContact CE2-OH 3.43Å; F203-Y287 HydrophobicContact CZ-CE2 4.12Å; F203-Y287 AromaticContact CZ-CZ 3.89Å; F203-Y287 WeakPolarHBondContact CZ-OH 3.45Å; L206-Y287 HydrophobicContact CB-CD2 4.2Å; L206-Y287 HydrophobicContact CD1-CD2 4.47Å; F283-Y287 HydrophobicContact CZ-CD2 4.29Å; F283-Y287 WeakPolarHBondContact O-CB 3.2Å; F283-Y287 PolarHBondContact O-N 3.33Å; V285-Y287 VanDerWaalsContact C-N 3.34Å; V285-Y287 PolarHBondContact O-N 3.44Å; Y287-S290 PolarHBondContact O-N 2.84Å; Y287-S290 PolarHBondContact O-OG 3.35Å; Y287-A291 VanDerWaalsContact O-CB 3.24Å; Y287-A291 WeakPolarHBondContact O-CB 3.46Å; Y287-A291 PolarHBondContact O-N 2.93Å
288L93.7Very high91.7Very high21 Ų2126.6 Ų26.611%0.1113%0.13CC..Hα-helixtrans-67.9-39.4-179.9-69.6168000111.9F284 V285 I292 L323 L326 A330F284-L288 VanDerWaalsContact O-CB 3.32Å; F284-L288 WeakPolarHBondContact O-CB 3.42Å; F284-L288 WeakPolarHBondContact O-CD1 3.5Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 2.87Å; V285-L288 PolarHBondContact O-N 3.42Å; L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.3Å; L288-L323 HydrophobicContact CD2-CD2 3.56Å; L288-L326 HydrophobicContact CD1-CB 3.86Å; L288-L326 HydrophobicContact CD2-CB 4.01Å; L288-L326 HydrophobicContact CD2-CD1 4.43Å; L288-A330 HydrophobicContact CD1-CB 4.1Å
289W93.2Very high91.8Very high2 Ų224 Ų241%0.00812%0.116CC..Hα-helixtrans-60.8-55.1173.4-73.23.2000110.8M229 R262 I265 L266 V285 A291 I292 E293 E331M229-W289 HydrophobicContact CE-CE3 4.48Å; M229-W289 HydrophobicContact SD-CE3 4.1Å; R262-W289 HydrophobicContact CB-CH2 3.68Å; R262-W289 HydrophobicContact CB-CZ2 3.82Å; R262-W289 HydrophobicContact CB-CZ3 4.15Å; R262-W289 HydrophobicContact CG-CD2 4.41Å; R262-W289 HydrophobicContact CG-CH2 4Å; R262-W289 HydrophobicContact CG-CZ2 3.62Å; R262-W289 WeakPolarHBondContact O-CH2 3.45Å; I265-W289 HydrophobicContact CB-CH2 4.07Å; I265-W289 HydrophobicContact CB-CZ2 4.31Å; I265-W289 HydrophobicContact CG2-CH2 4.12Å; I265-W289 HydrophobicContact CG2-CZ2 4.33Å; L266-W289 HydrophobicContact CB-CZ3 4.4Å; V285-W289 HydrophobicContact CG1-CD2 3.79Å; V285-W289 VanDerWaalsContact CG1-CE2 3.47Å; V285-W289 HydrophobicContact CG1-CE3 4.15Å; V285-W289 HydrophobicContact CG1-CG 4.38Å; V285-W289 HydrophobicContact CG1-CH2 3.94Å; V285-W289 HydrophobicContact CG1-CZ2 3.56Å; V285-W289 HydrophobicContact CG1-CZ3 4.23Å; V285-W289 WeakPolarHBondContact O-CB 3.08Å; V285-W289 VanDerWaalsContact O-CG 3.24Å; V285-W289 PolarHBondContact O-N 3.34Å; W289-A291 VanDerWaalsContact C-N 3.33Å; W289-A291 PolarHBondContact O-N 3.41Å; W289-I292 PolarHBondContact O-N 3.01Å; W289-E293 WeakPolarHBondContact O-CB 3.36Å; W289-E293 WeakPolarHBondContact O-CG 3.37Å; W289-E293 PolarHBondContact O-N 3.1Å; W289-E331 HydrophobicContact CZ2-CG 4.14Å; W289-E331 WeakPolarHBondContact CZ2-OE1 3.43Å; W289-E331 PolarHBondContact NE1-OE1 2.93Å
290S94Very high91.7Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-60-40.9-179.456.80000112.8F286 Y287 I292 E293 I294F286-S290 VanDerWaalsContact O-CB 3.31Å; F286-S290 WeakPolarHBondContact O-CB 3.32Å; F286-S290 PolarHBondContact O-N 3.5Å; F286-S290 PolarHBondContact O-OG 2.92Å; Y287-S290 PolarHBondContact O-N 2.84Å; Y287-S290 PolarHBondContact O-OG 3.35Å; S290-I292 PolarHBondContact O-N 2.68Å; S290-E293 PolarHBondContact O-N 3.01Å; S290-I294 WeakPolarHBondContact O-CD1 3.29Å; S290-I294 VanDerWaalsContact O-CG1 3.24Å; S290-I294 WeakPolarHBondContact O-CG1 3.34Å; S290-I294 PolarHBondContact O-N 3.43Å
291A92.5Very high91.7Very high10 Ų1023.5 Ų23.58%0.08311%0.108CC..Hα-helixtrans-58.9-44.1177.300000112.8F203 Y287 W289 F295 L323F203-A291 HydrophobicContact CD2-CB 4.15Å; F203-A291 HydrophobicContact CE2-CB 3.88Å; Y287-A291 VanDerWaalsContact O-CB 3.24Å; Y287-A291 WeakPolarHBondContact O-CB 3.46Å; Y287-A291 PolarHBondContact O-N 2.93Å; W289-A291 VanDerWaalsContact C-N 3.33Å; W289-A291 PolarHBondContact O-N 3.41Å; A291-F295 WeakPolarHBondContact O-CD2 3.31Å; A291-L323 HydrophobicContact CB-CD1 4.48Å
292I91.5Very high91.5Very high15 Ų1524.2 Ų24.28%0.07711%0.111CC..Hα-helixtrans-65.4-45.1176.2-68.5163.4000110.7L288 W289 S290 R296 L323 Y324L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.3Å; W289-I292 PolarHBondContact O-N 3.01Å; S290-I292 PolarHBondContact O-N 2.68Å; I292-R296 PolarHBondContact O-N 3.43Å; I292-L323 HydrophobicContact CD1-CB 3.68Å; I292-L323 HydrophobicContact CG1-CB 3.5Å; I292-L323 VanDerWaalsContact CG1-CB 3.5Å; I292-L323 HydrophobicContact CG1-CD1 3.56Å; I292-L323 HydrophobicContact CG1-CG 4.1Å; I292-Y324 HydrophobicContact CD1-CD1 3.7Å; I292-Y324 HydrophobicContact CD1-CE1 3.81Å; I292-Y324 HydrophobicContact CG1-CD1 4.47Å; I292-Y324 HydrophobicContact CG1-CE1 4.38Å; I292-Y324 HydrophobicContact CG2-CE1 3.88Å
293E91.4Very high91.2Very high1 Ų127.4 Ų27.41%0.00513%0.131CC..Hα-helixtrans-68.4-38.1-170.7-69.8-55.514300112.9F199 R262 W289 S290 F295 R296 Y297F199-E293 HydrophobicContact CB-CB 4.11Å; F199-E293 HydrophobicContact CD1-CB 3.83Å; F199-E293 HydrophobicContact CD1-CG 4.18Å; F199-E293 HydrophobicContact CD2-CB 3.6Å; F199-E293 HydrophobicContact CD2-CG 4.21Å; F199-E293 HydrophobicContact CE1-CB 4.11Å; F199-E293 HydrophobicContact CE1-CG 3.94Å; F199-E293 HydrophobicContact CE2-CB 3.91Å; F199-E293 HydrophobicContact CE2-CG 3.99Å; F199-E293 HydrophobicContact CG-CB 3.56Å; F199-E293 HydrophobicContact CG-CG 4.3Å; F199-E293 HydrophobicContact CZ-CB 4.14Å; F199-E293 HydrophobicContact CZ-CG 3.84Å; R262-E293 IonicContact CZ-OE1 2.72Å; R262-E293 IonicContact NH1-OE1 3.81Å; R262-E293 PolarHBondContact NH1-OE1 3.16Å; R262-E293 IonicContact NH2-OE1 3.81Å; R262-E293 PolarHBondContact NH2-OE1 2.79Å; W289-E293 WeakPolarHBondContact O-CB 3.36Å; W289-E293 WeakPolarHBondContact O-CG 3.37Å; W289-E293 PolarHBondContact O-N 3.1Å; S290-E293 PolarHBondContact O-N 3.01Å; E293-F295 VanDerWaalsContact C-N 3.34Å; E293-F295 PolarHBondContact O-N 3.34Å; E293-R296 VanDerWaalsContact CD-CZ 3.41Å; E293-R296 WeakPolarHBondContact O-CB 3.5Å; E293-R296 PolarHBondContact O-N 3.27Å; E293-R296 VanDerWaalsContact O-N 3.12Å; E293-R296 IonicContact OE1-CZ 3.32Å; E293-R296 VanDerWaalsContact OE1-CZ 3.31Å; E293-R296 IonicContact OE1-NE 3.75Å; E293-R296 IonicContact OE1-NH1 2.69Å; E293-R296 PolarHBondContact OE1-NH1 3.31Å; E293-R296 VanDerWaalsContact OE1-NH1 3.17Å; E293-R296 IonicContact OE1-NH2 3.76Å; E293-R296 IonicContact OE2-CZ 2.82Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 2.85Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.83Å; E293-R296 IonicContact OE2-NH2 2.68Å; E293-R296 PolarHBondContact OE2-NH2 2.9Å; E293-Y297 HydrophobicContact CB-CD2 4.1Å; E293-Y297 HydrophobicContact CB-CE2 3.98Å; E293-Y297 HydrophobicContact CG-CE2 4.38Å; E293-Y297 WeakPolarHBondContact O-CD2 3.29Å; E293-Y297 PolarHBondContact O-N 2.79Å; E293-Y297 WeakPolarHBondContact OE2-CE2 3.32Å
294I92.8Very high90.8Very high21 Ų2128 Ų2811%0.10814%0.136CC..Hα-helixtrans-50.5-54.9175.9-72.8161.4000110.6F196 F199 F203 S290 R296 Y297 S298F196-I294 HydrophobicContact CD2-CG2 4.35Å; F196-I294 HydrophobicContact CE2-CG2 3.82Å; F199-I294 HydrophobicContact CB-CG1 4.11Å; F203-I294 HydrophobicContact CB-CD1 3.3Å; F203-I294 HydrophobicContact CD1-CD1 3.81Å; F203-I294 HydrophobicContact CD2-CD1 3.98Å; F203-I294 HydrophobicContact CG-CD1 3.42Å; F203-I294 VanDerWaalsContact CG-CD1 3.42Å; S290-I294 WeakPolarHBondContact O-CD1 3.29Å; S290-I294 VanDerWaalsContact O-CG1 3.24Å; S290-I294 WeakPolarHBondContact O-CG1 3.34Å; S290-I294 PolarHBondContact O-N 3.43Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 3.43Å; I294-Y297 PolarHBondContact O-N 3.3Å; I294-S298 WeakPolarHBondContact O-CB 3.44Å; I294-S298 PolarHBondContact O-N 2.93Å; I294-S298 PolarHBondContact O-OG 3.35Å
295F90.4Very high90.5Very high67 Ų6727.7 Ų27.729%0.29414%0.138SC..Hα-helixtrans-70-30.6-177.5-63.1-72000113.1A291 E293 F299 L312 L315 L319A291-F295 WeakPolarHBondContact O-CD2 3.31Å; E293-F295 VanDerWaalsContact C-N 3.34Å; E293-F295 PolarHBondContact O-N 3.34Å; F295-F299 WeakPolarHBondContact O-CB 3.32Å; F295-F299 PolarHBondContact O-N 2.85Å; F295-F299 VanDerWaalsContact O-N 3.16Å; F295-L312 HydrophobicContact CD1-CD1 4.12Å; F295-L315 HydrophobicContact CB-CD2 3.53Å; F295-L315 HydrophobicContact CD1-CD1 4.1Å; F295-L315 HydrophobicContact CD1-CD2 3.21Å; F295-L315 HydrophobicContact CD1-CG 4.28Å; F295-L315 HydrophobicContact CD2-CD2 3.62Å; F295-L315 HydrophobicContact CE1-CD1 3.78Å; F295-L315 HydrophobicContact CE1-CD2 3.67Å; F295-L315 HydrophobicContact CE1-CG 4.4Å; F295-L315 HydrophobicContact CE2-CD2 4.05Å; F295-L315 HydrophobicContact CG-CD2 3.16Å; F295-L315 HydrophobicContact CZ-CD1 4.19Å; F295-L315 HydrophobicContact CZ-CD2 4.07Å; F295-L319 HydrophobicContact CB-CD2 4.25Å; F295-L319 HydrophobicContact CD2-CD1 4.49Å; F295-L319 HydrophobicContact CD2-CD2 3.28Å; F295-L319 HydrophobicContact CD2-CG 4.49Å; F295-L319 HydrophobicContact CE2-CD1 4.33Å; F295-L319 HydrophobicContact CE2-CD2 3.85Å; F295-L319 HydrophobicContact CG-CD2 4.05Å
296R90.3Very high90Very high39 Ų3933.3 Ų33.315%0.14717%0.168CC..Hα-helixtrans-65.5-51.1176.8-172.8178.880.9172.513.5110.9E239 I292 E293 I294 F299 Y300E239-R296 IonicContact OE2-CZ 3.4Å; E239-R296 IonicContact OE2-NH2 2.71Å; E239-R296 PolarHBondContact OE2-NH2 3.04Å; E239-R296 VanDerWaalsContact OE2-NH2 3.12Å; I292-R296 PolarHBondContact O-N 3.43Å; E293-R296 VanDerWaalsContact CD-CZ 3.41Å; E293-R296 WeakPolarHBondContact O-CB 3.5Å; E293-R296 PolarHBondContact O-N 3.27Å; E293-R296 VanDerWaalsContact O-N 3.12Å; E293-R296 IonicContact OE1-CZ 3.32Å; E293-R296 VanDerWaalsContact OE1-CZ 3.31Å; E293-R296 IonicContact OE1-NE 3.75Å; E293-R296 IonicContact OE1-NH1 2.69Å; E293-R296 PolarHBondContact OE1-NH1 3.31Å; E293-R296 VanDerWaalsContact OE1-NH1 3.17Å; E293-R296 IonicContact OE1-NH2 3.76Å; E293-R296 IonicContact OE2-CZ 2.82Å; E293-R296 IonicContact OE2-NE 2.8Å; E293-R296 PolarHBondContact OE2-NE 2.85Å; E293-R296 IonicContact OE2-NH1 2.73Å; E293-R296 PolarHBondContact OE2-NH1 2.83Å; E293-R296 IonicContact OE2-NH2 2.68Å; E293-R296 PolarHBondContact OE2-NH2 2.9Å; I294-R296 VanDerWaalsContact C-N 3.32Å; I294-R296 PolarHBondContact O-N 3.43Å; R296-F299 WeakPolarHBondContact O-CB 3.38Å; R296-F299 PolarHBondContact O-N 2.94Å; R296-Y300 HydrophobicContact CG-CD2 4.21Å; R296-Y300 HydrophobicContact CG-CE2 3.65Å; R296-Y300 PolarHBondContact O-N 2.98Å; R296-Y300 VanDerWaalsContact O-N 3.09Å
297Y91.2Very high89.4Confident0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-69.9-37.4-178.8-70.5-62.5000112.1Y191 N192 Q195 F199 E239 E293 I294 F299 Y300 M301Y191-Y297 HydrophobicContact CE1-CE1 4.34Å; N192-Y297 HydrophobicContact CB-CD1 4.45Å; N192-Y297 WeakPolarHBondContact OD1-CD1 3.37Å; Q195-Y297 HydrophobicContact CB-CD1 3.66Å; Q195-Y297 HydrophobicContact CB-CD2 3.75Å; Q195-Y297 HydrophobicContact CB-CE1 3.62Å; Q195-Y297 HydrophobicContact CB-CE2 3.7Å; Q195-Y297 HydrophobicContact CB-CG 3.72Å; Q195-Y297 HydrophobicContact CG-CD1 4.28Å; Q195-Y297 HydrophobicContact CG-CE1 3.77Å; Q195-Y297 HydrophobicContact CG-CE2 4.25Å; F199-Y297 AromaticContact CD2-CD2 3.86Å; F199-Y297 HydrophobicContact CD2-CD2 3.86Å; F199-Y297 AromaticContact CD2-CE2 3.54Å; F199-Y297 HydrophobicContact CD2-CE2 3.54Å; F199-Y297 HydrophobicContact CE2-CD2 4.28Å; F199-Y297 AromaticContact CE2-CE2 3.49Å; F199-Y297 HydrophobicContact CE2-CE2 3.49Å; F199-Y297 VanDerWaalsContact CE2-CE2 3.49Å; E239-Y297 PolarHBondContact OE2-OH 3.28Å; E293-Y297 HydrophobicContact CB-CD2 4.1Å; E293-Y297 HydrophobicContact CB-CE2 3.98Å; E293-Y297 HydrophobicContact CG-CE2 4.38Å; E293-Y297 WeakPolarHBondContact O-CD2 3.29Å; E293-Y297 PolarHBondContact O-N 2.79Å; E293-Y297 WeakPolarHBondContact OE2-CE2 3.32Å; I294-Y297 PolarHBondContact O-N 3.3Å; Y297-F299 PolarHBondContact O-N 3.44Å; Y297-Y300 HydrophobicContact CD1-CD2 4.3Å; Y297-Y300 PolarHBondContact O-N 2.86Å; Y297-Y300 VanDerWaalsContact O-N 3.15Å; Y297-M301 VanDerWaalsContact O-CG 3.32Å; Y297-M301 WeakPolarHBondContact O-CG 3.5Å; Y297-M301 PolarHBondContact O-N 2.9Å
298S90.6Very high88.7Confident22 Ų2240.7 Ų40.715%0.15421%0.211CC..Hα-helixtrans-55.7-42.7170.9-560000111.8F196 I294 M301 L302F196-S298 VanDerWaalsContact CD2-OG 3.24Å; F196-S298 WeakPolarHBondContact CD2-OG 3.33Å; F196-S298 WeakPolarHBondContact CE2-OG 3.36Å; I294-S298 WeakPolarHBondContact O-CB 3.44Å; I294-S298 PolarHBondContact O-N 2.93Å; I294-S298 PolarHBondContact O-OG 3.35Å; S298-M301 PolarHBondContact O-N 3.47Å; S298-L302 WeakPolarHBondContact O-CG 3.38Å; S298-L302 PolarHBondContact O-N 3.41Å; S298-L302 VanDerWaalsContact O-N 3.13Å
299F89.2Confident88.2Confident20 Ų2047.1 Ų47.19%0.08823%0.233CC..Hα-helixtrans-65.7-42178.2174.8-84.4000112.1F295 R296 Y297 L302 T303 L312 T313 R316F295-F299 WeakPolarHBondContact O-CB 3.32Å; F295-F299 PolarHBondContact O-N 2.85Å; F295-F299 VanDerWaalsContact O-N 3.16Å; R296-F299 WeakPolarHBondContact O-CB 3.38Å; R296-F299 PolarHBondContact O-N 2.94Å; Y297-F299 PolarHBondContact O-N 3.44Å; F299-L302 PolarHBondContact O-N 3.32Å; F299-T303 WeakPolarHBondContact CE1-OG1 3.41Å; F299-T303 PolarHBondContact O-N 3.32Å; F299-T303 PolarHBondContact O-OG1 3.12Å; F299-L312 HydrophobicContact CB-CD2 4.22Å; F299-L312 HydrophobicContact CB-CG 4.41Å; F299-T313 HydrophobicContact CE2-CG2 4.12Å; F299-R316 HydrophobicContact CD2-CB 4.41Å; F299-R316 VanDerWaalsContact CE1-CZ 3.49Å; F299-R316 HydrophobicContact CG-CB 4.47Å; F299-R316 HydrophobicContact CG-CG 4.36Å
300Y87.3Confident87.8Confident46 Ų4655.8 Ų55.818%0.1827%0.271CS..Hα-helixtrans-65.9-38.8178.2-66.8-27.7000112.6R296 Y297 L302 T303 C304R296-Y300 HydrophobicContact CG-CD2 4.21Å; R296-Y300 HydrophobicContact CG-CE2 3.65Å; R296-Y300 PolarHBondContact O-N 2.98Å; R296-Y300 VanDerWaalsContact O-N 3.09Å; Y297-Y300 HydrophobicContact CD1-CD2 4.3Å; Y297-Y300 PolarHBondContact O-N 2.86Å; Y297-Y300 VanDerWaalsContact O-N 3.15Å; Y300-L302 PolarHBondContact O-N 3.26Å; Y300-T303 WeakPolarHBondContact O-CB 3.41Å; Y300-T303 PolarHBondContact O-N 2.85Å; Y300-C304 PolarHBondContact O-N 3.13Å; Y300-C304 VanDerWaalsContact O-N 3.12Å; Y300-C304 PolarHBondContact O-SG 3.39Å; Y300-C304 VanDerWaalsContact O-SG 3.4Å
301M88.8Confident87.4Confident26 Ų2660 Ų6013%0.12830%0.297CS..Hα-helixtrans-59.3-46.8172.9-69.1172.265.100112F189 N192 L193 F196 Y297 S298 T303 C304 I305F189-M301 HydrophobicContact CD2-CB 4.27Å; F189-M301 HydrophobicContact CE2-CB 4.07Å; F189-M301 HydrophobicContact CE2-CE 3.84Å; F189-M301 HydrophobicContact CE2-CG 4.4Å; F189-M301 HydrophobicContact CZ-CE 3.99Å; N192-M301 HydrophobicContact CB-CG 3.54Å; L193-M301 HydrophobicContact CB-CE 3.98Å; L193-M301 HydrophobicContact CB-SD 4.36Å; L193-M301 HydrophobicContact CD1-CE 3.49Å; L193-M301 VanDerWaalsContact CD1-CE 3.49Å; L193-M301 HydrophobicContact CD1-SD 4.37Å; L193-M301 HydrophobicContact CG-CE 4.32Å; F196-M301 HydrophobicContact CB-SD 3.78Å; F196-M301 HydrophobicContact CD1-SD 4.33Å; F196-M301 HydrophobicContact CG-SD 4.08Å; Y297-M301 VanDerWaalsContact O-CG 3.32Å; Y297-M301 WeakPolarHBondContact O-CG 3.5Å; Y297-M301 PolarHBondContact O-N 2.9Å; S298-M301 PolarHBondContact O-N 3.47Å; M301-T303 VanDerWaalsContact C-N 3.27Å; M301-T303 PolarHBondContact O-N 2.88Å; M301-C304 WeakPolarHBondContact O-CB 3.32Å; M301-C304 PolarHBondContact O-N 3.35Å; M301-C304 VanDerWaalsContact O-N 3.13Å; M301-I305 PolarHBondContact O-N 3.32Å
302L87Confident87.1Confident28 Ų2860.4 Ų60.415%0.14730%0.297CS..Hα-helixtrans-63.3-35.2178.1-71.9-165.6000112.6S298 F299 Y300 C304 I305 D306 M307 W309 L312S298-L302 WeakPolarHBondContact O-CG 3.38Å; S298-L302 PolarHBondContact O-N 3.41Å; S298-L302 VanDerWaalsContact O-N 3.13Å; F299-L302 PolarHBondContact O-N 3.32Å; Y300-L302 PolarHBondContact O-N 3.26Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.45Å; L302-I305 PolarHBondContact O-N 2.96Å; L302-D306 PolarHBondContact O-N 2.68Å; L302-M307 HydrophobicContact CD2-CE 3.37Å; L302-M307 PolarHBondContact O-N 2.98Å; L302-W309 HydrophobicContact CD1-CB 3.75Å; L302-W309 HydrophobicContact CD1-CE3 4.21Å; L302-L312 HydrophobicContact CD1-CD2 3.45Å; L302-L312 VanDerWaalsContact CD1-CD2 3.45Å; L302-L312 HydrophobicContact CG-CD2 4.09Å
303T85.1Confident86.7Confident68 Ų6860.3 Ų60.342%0.41730%0.297SS..Hα-helixtrans-65.5-33.6175.7-520000111.4F299 Y300 M301 I305 D306F299-T303 WeakPolarHBondContact CE1-OG1 3.41Å; F299-T303 PolarHBondContact O-N 3.32Å; F299-T303 PolarHBondContact O-OG1 3.12Å; Y300-T303 WeakPolarHBondContact O-CB 3.41Å; Y300-T303 PolarHBondContact O-N 2.85Å; M301-T303 VanDerWaalsContact C-N 3.27Å; M301-T303 PolarHBondContact O-N 2.88Å; T303-I305 VanDerWaalsContact C-N 3.33Å; T303-D306 PolarHBondContact O-N 3.49Å
304C85.1Confident86.5Confident25 Ų2566.7 Ų66.717%0.16932%0.321CS..Hα-helixtrans-69.8-28.4175.4-66.40000113.3F189 Y300 M301 L302 D306F189-C304 HydrophobicContact CB-CB 4.07Å; F189-C304 HydrophobicContact CD2-CB 4.27Å; Y300-C304 PolarHBondContact O-N 3.13Å; Y300-C304 VanDerWaalsContact O-N 3.12Å; Y300-C304 PolarHBondContact O-SG 3.39Å; Y300-C304 VanDerWaalsContact O-SG 3.4Å; M301-C304 WeakPolarHBondContact O-CB 3.32Å; M301-C304 PolarHBondContact O-N 3.35Å; M301-C304 VanDerWaalsContact O-N 3.13Å; L302-C304 VanDerWaalsContact C-N 3.3Å; L302-C304 PolarHBondContact O-N 3.45Å; C304-D306 VanDerWaalsContact C-N 3.29Å
305I86Confident86.2Confident97 Ų9767.2 Ų67.250%0.49732%0.324SS..THydrogen-bonded Turntrans-88.11.6176.7-59.4172000111.3F189 M301 L302 T303 M307F189-I305 HydrophobicContact CD2-CD1 4.09Å; F189-I305 HydrophobicContact CD2-CG1 4.1Å; F189-I305 HydrophobicContact CE2-CD1 3.46Å; F189-I305 VanDerWaalsContact CE2-CD1 3.46Å; F189-I305 HydrophobicContact CE2-CG1 3.99Å; F189-I305 HydrophobicContact CZ-CD1 4.1Å; M301-I305 PolarHBondContact O-N 3.32Å; L302-I305 PolarHBondContact O-N 2.96Å; T303-I305 VanDerWaalsContact C-N 3.33Å; I305-M307 HydrophobicContact CG2-CB 4.37Å; I305-M307 PolarHBondContact O-N 2.69Å
306D81.5Confident86.1Confident117 Ų11766.9 Ų66.963%0.62632%0.321SS*.THydrogen-bonded Turntrans56.128.8-175.5-60.8-55.2000112.8K185 L302 T303 C304K185-D306 IonicContact NZ-OD1 3.34Å; K185-D306 IonicContact NZ-OD2 3.09Å; K185-D306 PolarHBondContact NZ-OD2 3.35Å; L302-D306 PolarHBondContact O-N 2.68Å; T303-D306 PolarHBondContact O-N 3.49Å; C304-D306 VanDerWaalsContact C-N 3.29Å
307M82.6Confident85.8Confident106 Ų10666.5 Ų66.552%0.52232%0.32SS..  trans-103.3113.8179.4-174.1167.465.500111.6L302 I305 W309L302-M307 HydrophobicContact CD2-CE 3.37Å; L302-M307 PolarHBondContact O-N 2.98Å; I305-M307 HydrophobicContact CG2-CB 4.37Å; I305-M307 PolarHBondContact O-N 2.69Å; M307-W309 PolarHBondContact O-N 3.36Å
308D77.6Confident85.6Confident124 Ų12467.6 Ų67.666%0.66333%0.327SS*.  trans-92.296-177.6-82.7-29.3000112.8
309W83.8Confident85.5Confident156 Ų15668.5 Ų68.559%0.59133%0.329SS*.  trans-89.6113.4171.3-162.316.6000112.2L302 M307 V311 L312 T313L302-W309 HydrophobicContact CD1-CB 3.75Å; L302-W309 HydrophobicContact CD1-CE3 4.21Å; M307-W309 PolarHBondContact O-N 3.36Å; W309-V311 PolarHBondContact O-N 3.05Å; W309-L312 HydrophobicContact CB-CB 4.28Å; W309-L312 HydrophobicContact CD2-CB 4.39Å; W309-L312 HydrophobicContact CE3-CB 4.07Å; W309-L312 HydrophobicContact CG-CB 4.5Å; W309-L312 PolarHBondContact O-N 3.33Å; W309-T313 WeakPolarHBondContact O-CB 3.42Å; W309-T313 PolarHBondContact O-N 3.33Å; W309-T313 PolarHBondContact O-OG1 3.3Å
310K84.6Confident85.2Confident184 Ų18468.2 Ų68.280%0.833%0.328SS*.Hα-helixtrans-58.7-41.1-175.7-67.1177.6-177.21690113.5W314K310-W314 WeakPolarHBondContact O-CB 3.45Å; K310-W314 PolarHBondContact O-N 3.37Å
311V86.6Confident85.2Confident89 Ų8969.1 Ų69.154%0.53934%0.335SS..Hα-helixtrans-67-49.6-178.5178.90000110.6W309 T313 W314 L315W309-V311 PolarHBondContact O-N 3.05Å; V311-T313 VanDerWaalsContact C-N 3.31Å; V311-T313 PolarHBondContact O-N 3.44Å; V311-W314 WeakPolarHBondContact O-CB 3.4Å; V311-W314 PolarHBondContact O-N 3.28Å; V311-L315 WeakPolarHBondContact O-CB 3.43Å; V311-L315 PolarHBondContact O-N 3.1Å
312L84.9Confident85.3Confident17 Ų1771.2 Ų71.29%0.08935%0.351CS..Hα-helixtrans-64.2-38.5179.9-166.970.3000111.8F295 F299 L302 W309 L315 R316F295-L312 HydrophobicContact CD1-CD1 4.12Å; F299-L312 HydrophobicContact CB-CD2 4.22Å; F299-L312 HydrophobicContact CB-CG 4.41Å; L302-L312 HydrophobicContact CD1-CD2 3.45Å; L302-L312 VanDerWaalsContact CD1-CD2 3.45Å; L302-L312 HydrophobicContact CG-CD2 4.09Å; W309-L312 HydrophobicContact CB-CB 4.28Å; W309-L312 HydrophobicContact CD2-CB 4.39Å; W309-L312 HydrophobicContact CE3-CB 4.07Å; W309-L312 HydrophobicContact CG-CB 4.5Å; W309-L312 PolarHBondContact O-N 3.33Å; L312-L315 PolarHBondContact O-N 3.46Å; L312-R316 WeakPolarHBondContact O-CB 3.26Å; L312-R316 PolarHBondContact O-N 3Å
313T84.9Confident85.4Confident13 Ų1371 Ų718%0.0835%0.35CS..Hα-helixtrans-61.2-46.3173.5-570000111.2F299 W309 V311 L315 Y317F299-T313 HydrophobicContact CE2-CG2 4.12Å; W309-T313 WeakPolarHBondContact O-CB 3.42Å; W309-T313 PolarHBondContact O-N 3.33Å; W309-T313 PolarHBondContact O-OG1 3.3Å; V311-T313 VanDerWaalsContact C-N 3.31Å; V311-T313 PolarHBondContact O-N 3.44Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 2.98Å; T313-Y317 HydrophobicContact CG2-CD2 3.97Å; T313-Y317 HydrophobicContact CG2-CE2 3.86Å; T313-Y317 WeakPolarHBondContact O-CD2 3.37Å; T313-Y317 PolarHBondContact O-N 3.33Å
314W87.2Confident85.5Confident135 Ų13569.6 Ų69.651%0.51134%0.337SS..Hα-helixtrans-61.6-43.7176.4176.787.5000112K310 V311 Y317 T318 Y392K310-W314 WeakPolarHBondContact O-CB 3.45Å; K310-W314 PolarHBondContact O-N 3.37Å; V311-W314 WeakPolarHBondContact O-CB 3.4Å; V311-W314 PolarHBondContact O-N 3.28Å; W314-Y317 CarbonylContact O-C 3.6Å; W314-Y317 PolarHBondContact O-N 3.45Å; W314-T318 HydrophobicContact CH2-CG2 4.09Å; W314-T318 HydrophobicContact CZ2-CG2 3.82Å; W314-T318 VanDerWaalsContact O-CB 3.32Å; W314-T318 WeakPolarHBondContact O-CB 3.44Å; W314-T318 PolarHBondContact O-N 3.31Å; W314-T318 PolarHBondContact O-OG1 3.24Å; W314-Y392 WeakPolarHBondContact CA-OH 3.25Å
315L86.4Confident85.7Confident32 Ų3270.7 Ų70.717%0.16834%0.344CS..Hα-helixtrans-63.6-46.6-179.1-166149.4000110.3F295 V311 L312 T313 Y317 T318 L319F295-L315 HydrophobicContact CB-CD2 3.53Å; F295-L315 HydrophobicContact CD1-CD1 4.1Å; F295-L315 HydrophobicContact CD1-CD2 3.21Å; F295-L315 HydrophobicContact CD1-CG 4.28Å; F295-L315 HydrophobicContact CD2-CD2 3.62Å; F295-L315 HydrophobicContact CE1-CD1 3.78Å; F295-L315 HydrophobicContact CE1-CD2 3.67Å; F295-L315 HydrophobicContact CE1-CG 4.4Å; F295-L315 HydrophobicContact CE2-CD2 4.05Å; F295-L315 HydrophobicContact CG-CD2 3.16Å; F295-L315 HydrophobicContact CZ-CD1 4.19Å; F295-L315 HydrophobicContact CZ-CD2 4.07Å; V311-L315 WeakPolarHBondContact O-CB 3.43Å; V311-L315 PolarHBondContact O-N 3.1Å; L312-L315 PolarHBondContact O-N 3.46Å; T313-L315 VanDerWaalsContact C-N 3.33Å; T313-L315 PolarHBondContact O-N 2.98Å; L315-Y317 VanDerWaalsContact C-N 3.28Å; L315-Y317 PolarHBondContact O-N 3.17Å; L315-T318 PolarHBondContact O-N 2.87Å; L315-L319 HydrophobicContact CD2-CB 3.96Å; L315-L319 HydrophobicContact CD2-CD1 3.83Å; L315-L319 HydrophobicContact CD2-CD2 3.85Å; L315-L319 HydrophobicContact CD2-CG 4.08Å; L315-L319 HydrophobicContact CG-CB 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.09Å; L315-L319 WeakPolarHBondContact O-CB 3.39Å; L315-L319 PolarHBondContact O-N 3.07Å
316R86.9Confident86Confident61 Ų6170.3 Ų70.323%0.2334%0.342CS..Hα-helixtrans-49.8-46.9171.7-176.4-159.5-178-169.9-0.8112.7F299 L312 T318F299-R316 HydrophobicContact CD2-CB 4.41Å; F299-R316 VanDerWaalsContact CE1-CZ 3.49Å; F299-R316 HydrophobicContact CG-CB 4.47Å; F299-R316 HydrophobicContact CG-CG 4.36Å; L312-R316 WeakPolarHBondContact O-CB 3.26Å; L312-R316 PolarHBondContact O-N 3Å; R316-T318 VanDerWaalsContact C-N 3.32Å; R316-T318 PolarHBondContact O-N 2.9Å
317Y84.6Confident86.4Confident31 Ų3164.9 Ų64.912%0.12231%0.314CS..Hα-helixtrans-83.9-1-176.4-72.3-67.2000114.8T313 W314 L315 W320 Q387 R388 R391 Y392T313-Y317 HydrophobicContact CG2-CD2 3.97Å; T313-Y317 HydrophobicContact CG2-CE2 3.86Å; T313-Y317 WeakPolarHBondContact O-CD2 3.37Å; T313-Y317 PolarHBondContact O-N 3.33Å; W314-Y317 CarbonylContact O-C 3.6Å; W314-Y317 PolarHBondContact O-N 3.45Å; L315-Y317 VanDerWaalsContact C-N 3.28Å; L315-Y317 PolarHBondContact O-N 3.17Å; Y317-W320 VanDerWaalsContact C-NE1 3.32Å; Y317-W320 PolarHBondContact O-NE1 3.29Å; Y317-Q387 HydrophobicContact CE1-CB 4.48Å; Y317-R388 WeakPolarHBondContact O-CD 3.46Å; Y317-R391 HydrophobicContact CE2-CG 4.24Å; Y317-Y392 HydrophobicContact CD2-CE2 4.14Å; Y317-Y392 HydrophobicContact CG-CE2 4.31Å
318T87.7Confident86.8Confident23 Ų2360.2 Ų60.214%0.14129%0.292CS..Hα-helixtrans-122.2-33.8-176.9-51.60000112.3W314 L315 R316 W320 I321W314-T318 HydrophobicContact CH2-CG2 4.09Å; W314-T318 HydrophobicContact CZ2-CG2 3.82Å; W314-T318 VanDerWaalsContact O-CB 3.32Å; W314-T318 WeakPolarHBondContact O-CB 3.44Å; W314-T318 PolarHBondContact O-N 3.31Å; W314-T318 PolarHBondContact O-OG1 3.24Å; L315-T318 PolarHBondContact O-N 2.87Å; R316-T318 VanDerWaalsContact C-N 3.32Å; R316-T318 PolarHBondContact O-N 2.9Å; T318-W320 VanDerWaalsContact C-N 3.27Å; T318-W320 PolarHBondContact O-N 3.34Å; T318-I321 HydrophobicContact CG2-CD1 4.21Å; T318-I321 WeakPolarHBondContact O-CB 3.33Å; T318-I321 WeakPolarHBondContact O-CG1 3.43Å; T318-I321 PolarHBondContact O-N 2.96Å; T318-I321 VanDerWaalsContact O-N 3.07Å
319L87.1Confident87.5Confident40 Ų4058.7 Ų58.721%0.20928%0.283CS..Hα-helixtrans-66.2-26.6-173.3-162.789.1000113.5F295 L315 I321 P322 L323F295-L319 HydrophobicContact CB-CD2 4.25Å; F295-L319 HydrophobicContact CD2-CD1 4.49Å; F295-L319 HydrophobicContact CD2-CD2 3.28Å; F295-L319 HydrophobicContact CD2-CG 4.49Å; F295-L319 HydrophobicContact CE2-CD1 4.33Å; F295-L319 HydrophobicContact CE2-CD2 3.85Å; F295-L319 HydrophobicContact CG-CD2 4.05Å; L315-L319 HydrophobicContact CD2-CB 3.96Å; L315-L319 HydrophobicContact CD2-CD1 3.83Å; L315-L319 HydrophobicContact CD2-CD2 3.85Å; L315-L319 HydrophobicContact CD2-CG 4.08Å; L315-L319 HydrophobicContact CG-CB 4.41Å; L315-L319 HydrophobicContact CG-CD1 4.09Å; L315-L319 WeakPolarHBondContact O-CB 3.39Å; L315-L319 PolarHBondContact O-N 3.07Å; L319-I321 PolarHBondContact O-N 3.33Å; L319-P322 VanDerWaalsContact O-CD 3.27Å; L319-P322 WeakPolarHBondContact O-CD 3.44Å; L319-L323 HydrophobicContact CD1-CD1 4.06Å; L319-L323 HydrophobicContact CD2-CD1 3.3Å; L319-L323 HydrophobicContact CG-CD1 3.34Å; L319-L323 HydrophobicContact CG-CG 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 PolarHBondContact O-N 3Å
320W84.6Confident87.9Confident15 Ų1551.6 Ų51.66%0.05726%0.258CS..Hα-helixtrans-64-22.6174.565.3-92000112.9Y317 T318 Y324 F381 L384 Y385Y317-W320 VanDerWaalsContact C-NE1 3.32Å; Y317-W320 PolarHBondContact O-NE1 3.29Å; T318-W320 VanDerWaalsContact C-N 3.27Å; T318-W320 PolarHBondContact O-N 3.34Å; W320-Y324 HydrophobicContact CB-CD1 3.65Å; W320-Y324 HydrophobicContact CB-CE1 3.73Å; W320-Y324 HydrophobicContact CB-CG 4.18Å; W320-Y324 VanDerWaalsContact O-CB 3.27Å; W320-Y324 WeakPolarHBondContact O-CB 3.43Å; W320-Y324 PolarHBondContact O-N 2.89Å; W320-Y324 VanDerWaalsContact O-N 3.11Å; W320-F381 HydrophobicContact CE3-CE1 4.19Å; W320-F381 HydrophobicContact CE3-CE2 4.29Å; W320-F381 HydrophobicContact CE3-CZ 4.05Å; W320-F381 HydrophobicContact CH2-CD1 4.42Å; W320-F381 AromaticContact CZ3-CD1 3.6Å; W320-F381 HydrophobicContact CZ3-CD1 3.6Å; W320-F381 HydrophobicContact CZ3-CD2 4.31Å; W320-F381 AromaticContact CZ3-CE1 3.56Å; W320-F381 HydrophobicContact CZ3-CE1 3.56Å; W320-F381 HydrophobicContact CZ3-CE2 4.27Å; W320-F381 AromaticContact CZ3-CG 3.97Å; W320-F381 HydrophobicContact CZ3-CG 3.97Å; W320-F381 AromaticContact CZ3-CZ 3.89Å; W320-F381 HydrophobicContact CZ3-CZ 3.89Å; W320-L384 HydrophobicContact CB-CD1 4.24Å; W320-L384 HydrophobicContact CD2-CB 3.94Å; W320-L384 HydrophobicContact CD2-CD1 3.9Å; W320-L384 HydrophobicContact CD2-CG 4.49Å; W320-L384 HydrophobicContact CE3-CB 4.08Å; W320-L384 HydrophobicContact CE3-CD1 3.88Å; W320-L384 HydrophobicContact CG-CD1 4.06Å; W320-L384 HydrophobicContact CH2-CB 4.03Å; W320-L384 HydrophobicContact CZ2-CB 3.9Å; W320-L384 HydrophobicContact CZ3-CB 4.11Å; W320-Y385 HydrophobicContact CH2-CD2 4.35Å
321I87.6Confident88.2Confident64 Ų6444 Ų4433%0.32823%0.225SC..Hα-helixtrans-63.2-52.5-176.7-60.5168.5000111.5T318 L319 P325 R388T318-I321 HydrophobicContact CG2-CD1 4.21Å; T318-I321 WeakPolarHBondContact O-CB 3.33Å; T318-I321 WeakPolarHBondContact O-CG1 3.43Å; T318-I321 PolarHBondContact O-N 2.96Å; T318-I321 VanDerWaalsContact O-N 3.07Å; L319-I321 PolarHBondContact O-N 3.33Å; I321-P325 WeakPolarHBondContact O-CD 3.23Å; I321-P325 VanDerWaalsContact O-CG 3.28Å; I321-P325 WeakPolarHBondContact O-CG 3.39Å; I321-R388 VanDerWaalsContact CD1-NH1 3.27Å
322P90.3Very high88.4Confident71 Ų7140 Ų4046%0.46120%0.201SC..Hα-helixtrans-80.7-39.3174.429-35.7000113.5L319 P325 L326L319-P322 VanDerWaalsContact O-CD 3.27Å; L319-P322 WeakPolarHBondContact O-CD 3.44Å; P322-P325 WeakPolarHBondContact O-CD 3.41Å; P322-L326 WeakPolarHBondContact O-CD1 3.41Å; P322-L326 VanDerWaalsContact O-CG 3.28Å; P322-L326 WeakPolarHBondContact O-CG 3.44Å; P322-L326 PolarHBondContact O-N 3.39Å
323L88.9Confident88.8Confident24 Ų2442.3 Ų42.313%0.12621%0.213CC..Hα-helixtrans-77.7-32.1-168.3-72.1170.8000113.8L288 A291 I292 L319 L326 G327L288-L323 HydrophobicContact CD2-CD2 3.56Å; A291-L323 HydrophobicContact CB-CD1 4.48Å; I292-L323 HydrophobicContact CD1-CB 3.68Å; I292-L323 HydrophobicContact CG1-CB 3.5Å; I292-L323 VanDerWaalsContact CG1-CB 3.5Å; I292-L323 HydrophobicContact CG1-CD1 3.56Å; I292-L323 HydrophobicContact CG1-CG 4.1Å; L319-L323 HydrophobicContact CD1-CD1 4.06Å; L319-L323 HydrophobicContact CD2-CD1 3.3Å; L319-L323 HydrophobicContact CG-CD1 3.34Å; L319-L323 HydrophobicContact CG-CG 4.33Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 PolarHBondContact O-N 3Å; L323-L326 PolarHBondContact O-N 3.18Å; L323-G327 PolarHBondContact O-N 3.01Å
324Y87.3Confident89.1Confident37 Ų3741.7 Ų41.715%0.14521%0.209CC..Hα-helixtrans-68.9-44.5-179.9-83.341.7000112.5I292 W320 L326 G327 C328 L384I292-Y324 HydrophobicContact CD1-CD1 3.7Å; I292-Y324 HydrophobicContact CD1-CE1 3.81Å; I292-Y324 HydrophobicContact CG1-CD1 4.47Å; I292-Y324 HydrophobicContact CG1-CE1 4.38Å; I292-Y324 HydrophobicContact CG2-CE1 3.88Å; W320-Y324 HydrophobicContact CB-CD1 3.65Å; W320-Y324 HydrophobicContact CB-CE1 3.73Å; W320-Y324 HydrophobicContact CB-CG 4.18Å; W320-Y324 VanDerWaalsContact O-CB 3.27Å; W320-Y324 WeakPolarHBondContact O-CB 3.43Å; W320-Y324 PolarHBondContact O-N 2.89Å; W320-Y324 VanDerWaalsContact O-N 3.11Å; Y324-L326 VanDerWaalsContact C-N 3.32Å; Y324-L326 PolarHBondContact O-N 3.4Å; Y324-G327 PolarHBondContact O-N 3.31Å; Y324-C328 WeakPolarHBondContact O-CB 3.48Å; Y324-C328 PolarHBondContact O-N 2.91Å; Y324-L384 HydrophobicContact CD2-CD1 4.09Å; Y324-L384 HydrophobicContact CE2-CD1 3.75Å
325P89.9Confident89.2Confident49 Ų4935.2 Ų35.232%0.31819%0.185SC..Hα-helixtrans-60.3-41.5173.3-25.935.9000112.4I321 P322 L329 F381I321-P325 WeakPolarHBondContact O-CD 3.23Å; I321-P325 VanDerWaalsContact O-CG 3.28Å; I321-P325 WeakPolarHBondContact O-CG 3.39Å; P322-P325 WeakPolarHBondContact O-CD 3.41Å; P325-L329 VanDerWaalsContact O-CB 3.27Å; P325-L329 WeakPolarHBondContact O-CB 3.36Å; P325-L329 PolarHBondContact O-N 2.94Å; P325-F381 HydrophobicContact CG-CE1 4.45Å; P325-F381 HydrophobicContact CG-CE2 3.94Å; P325-F381 HydrophobicContact CG-CZ 3.45Å; P325-F381 VanDerWaalsContact CG-CZ 3.45Å
326L90.9Very high89.4Confident88 Ų8838.3 Ų38.346%0.46120%0.2SC..Hα-helixtrans-65.1-44.1177.4-71.2172.6000111.6L288 P322 L323 Y324 L329 A330L288-L326 HydrophobicContact CD1-CB 3.86Å; L288-L326 HydrophobicContact CD2-CB 4.01Å; L288-L326 HydrophobicContact CD2-CD1 4.43Å; P322-L326 WeakPolarHBondContact O-CD1 3.41Å; P322-L326 VanDerWaalsContact O-CG 3.28Å; P322-L326 WeakPolarHBondContact O-CG 3.44Å; P322-L326 PolarHBondContact O-N 3.39Å; L323-L326 PolarHBondContact O-N 3.18Å; Y324-L326 VanDerWaalsContact C-N 3.32Å; Y324-L326 PolarHBondContact O-N 3.4Å; L326-L329 PolarHBondContact O-N 3.32Å; L326-A330 WeakPolarHBondContact O-CB 3.41Å; L326-A330 PolarHBondContact O-N 2.82Å
327G90.7Very high89.5Confident3 Ų338.3 Ų38.33%0.03120%0.203CC..Hα-helixtrans-63.6-45.6177.400000111.6L323 Y324 L329 A330 E331L323-G327 PolarHBondContact O-N 3.01Å; Y324-G327 PolarHBondContact O-N 3.31Å; G327-L329 VanDerWaalsContact C-N 3.3Å; G327-L329 PolarHBondContact O-N 3.09Å; G327-A330 PolarHBondContact O-N 3.23Å; G327-E331 WeakPolarHBondContact O-CB 3.37Å; G327-E331 WeakPolarHBondContact O-CG 3.49Å; G327-E331 PolarHBondContact O-N 2.85Å
328C90Very high89.6Confident9 Ų936.9 Ų36.96%0.06120%0.197CC..Hα-helixtrans-60.4-39.3174.8-178.80000112.3Y324 A332 I373 L377Y324-C328 WeakPolarHBondContact O-CB 3.48Å; Y324-C328 PolarHBondContact O-N 2.91Å; C328-A332 VanDerWaalsContact O-CB 3.3Å; C328-A332 WeakPolarHBondContact O-CB 3.5Å; C328-A332 PolarHBondContact O-N 2.73Å; C328-I373 WeakPolarHBondContact SG-CG2 3.36Å; C328-L377 HydrophobicContact CB-CD1 4.06Å; C328-L377 HydrophobicContact CB-CD2 4.16Å
329L92.3Very high89.5Confident92 Ų9237.2 Ų37.248%0.48220%0.198SC..Hα-helixtrans-66.6-44.4176.3-178.165.1000110.9P325 L326 G327 A332 I333P325-L329 VanDerWaalsContact O-CB 3.27Å; P325-L329 WeakPolarHBondContact O-CB 3.36Å; P325-L329 PolarHBondContact O-N 2.94Å; L326-L329 PolarHBondContact O-N 3.32Å; G327-L329 VanDerWaalsContact C-N 3.3Å; G327-L329 PolarHBondContact O-N 3.09Å; L329-A332 PolarHBondContact O-N 3.24Å; L329-I333 HydrophobicContact CD1-CD1 4.18Å; L329-I333 HydrophobicContact CD1-CG1 4.43Å; L329-I333 HydrophobicContact CG-CD1 3.91Å; L329-I333 WeakPolarHBondContact O-CB 3.33Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.41Å
330A91.8Very high89.3Confident7 Ų738.1 Ų38.16%0.05821%0.206CC..Hα-helixtrans-62-42.9176.400000111.6V281 F284 V285 L288 L326 G327 I333 S334V281-A330 WeakPolarHBondContact CG1-O 3.43Å; F284-A330 HydrophobicContact CB-CB 4.3Å; V285-A330 HydrophobicContact CG2-CB 3.71Å; L288-A330 HydrophobicContact CD1-CB 4.1Å; L326-A330 WeakPolarHBondContact O-CB 3.41Å; L326-A330 PolarHBondContact O-N 2.82Å; G327-A330 PolarHBondContact O-N 3.23Å; A330-I333 PolarHBondContact O-N 3.04Å; A330-S334 PolarHBondContact O-N 2.89Å
331E91.9Very high89.2Confident25 Ų2537.8 Ų37.812%0.11721%0.206CC..Hα-helixtrans-61.8-47.2173.6-72.8173.9-162.900111.5I265 W289 G327 I333 S334 V335I265-E331 HydrophobicContact CD1-CB 4.5Å; I265-E331 HydrophobicContact CG1-CB 4.45Å; I265-E331 HydrophobicContact CG1-CG 4.21Å; W289-E331 HydrophobicContact CZ2-CG 4.14Å; W289-E331 WeakPolarHBondContact CZ2-OE1 3.43Å; W289-E331 PolarHBondContact NE1-OE1 2.93Å; G327-E331 WeakPolarHBondContact O-CB 3.37Å; G327-E331 WeakPolarHBondContact O-CG 3.49Å; G327-E331 PolarHBondContact O-N 2.85Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 2.83Å; E331-S334 WeakPolarHBondContact O-CB 3.49Å; E331-S334 PolarHBondContact O-N 3.16Å; E331-S334 VanDerWaalsContact O-N 3.1Å; E331-S334 PolarHBondContact O-OG 3.3Å; E331-V335 WeakPolarHBondContact O-CG2 3.46Å; E331-V335 PolarHBondContact O-N 3.38Å
332A91.5Very high88.8Confident4 Ų434.9 Ų34.93%0.03319%0.191CC..Hα-helixtrans-61.4-42.2177.900000112.1C328 L329 S334 V335 I336 L370 F374C328-A332 VanDerWaalsContact O-CB 3.3Å; C328-A332 WeakPolarHBondContact O-CB 3.5Å; C328-A332 PolarHBondContact O-N 2.73Å; L329-A332 PolarHBondContact O-N 3.24Å; A332-S334 VanDerWaalsContact C-N 3.29Å; A332-S334 PolarHBondContact O-N 3.48Å; A332-V335 PolarHBondContact O-N 3.42Å; A332-I336 VanDerWaalsContact O-CG1 3.28Å; A332-I336 WeakPolarHBondContact O-CG1 3.28Å; A332-I336 PolarHBondContact O-N 3.45Å; A332-L370 HydrophobicContact CB-CD1 4.43Å; A332-F374 HydrophobicContact CB-CE2 4.44Å; A332-F374 HydrophobicContact CB-CZ 4.24Å
333I92Very high88.2Confident65 Ų6535 Ų3533%0.33319%0.187SC..Hα-helixtrans-62.6-39.5175-68.7167000110.3V281 L329 A330 E331 V335 I336 Q337V281-I333 HydrophobicContact CG1-CG2 4.27Å; V281-I333 HydrophobicContact CG2-CG2 3.81Å; L329-I333 HydrophobicContact CD1-CD1 4.18Å; L329-I333 HydrophobicContact CD1-CG1 4.43Å; L329-I333 HydrophobicContact CG-CD1 3.91Å; L329-I333 WeakPolarHBondContact O-CB 3.33Å; L329-I333 WeakPolarHBondContact O-CG1 3.45Å; L329-I333 PolarHBondContact O-N 3.41Å; A330-I333 PolarHBondContact O-N 3.04Å; E331-I333 VanDerWaalsContact C-N 3.34Å; E331-I333 PolarHBondContact O-N 2.83Å; I333-V335 VanDerWaalsContact C-N 3.33Å; I333-V335 PolarHBondContact O-N 3.45Å; I333-I336 PolarHBondContact O-N 3.43Å; I333-Q337 HydrophobicContact CG2-CG 4.31Å; I333-Q337 WeakPolarHBondContact O-CB 3.33Å; I333-Q337 WeakPolarHBondContact O-CG 3.41Å; I333-Q337 PolarHBondContact O-N 3.36Å
334S91.1Very high87.7Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-61.8-42177.879.80000111.9M276 A330 E331 A332 Q337 S338M276-S334 VanDerWaalsContact CE-O 3.27Å; M276-S334 WeakPolarHBondContact CE-O 3.14Å; A330-S334 PolarHBondContact O-N 2.89Å; E331-S334 WeakPolarHBondContact O-CB 3.49Å; E331-S334 PolarHBondContact O-N 3.16Å; E331-S334 VanDerWaalsContact O-N 3.1Å; E331-S334 PolarHBondContact O-OG 3.3Å; A332-S334 VanDerWaalsContact C-N 3.29Å; A332-S334 PolarHBondContact O-N 3.48Å; S334-Q337 PolarHBondContact O-N 3.24Å; S334-S338 WeakPolarHBondContact O-CB 3.21Å; S334-S338 PolarHBondContact O-N 3.05Å
335V90.7Very high86.8Confident0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-67.4-44.1176.7174.80000111.1I265 E331 A332 I333 Q337 S338 I339 L366 Y369 L370 I373I265-V335 HydrophobicContact CD1-CG2 3.59Å; E331-V335 WeakPolarHBondContact O-CG2 3.46Å; E331-V335 PolarHBondContact O-N 3.38Å; A332-V335 PolarHBondContact O-N 3.42Å; I333-V335 VanDerWaalsContact C-N 3.33Å; I333-V335 PolarHBondContact O-N 3.45Å; V335-Q337 VanDerWaalsContact C-N 3.28Å; V335-Q337 PolarHBondContact O-N 3.26Å; V335-S338 PolarHBondContact O-N 3.05Å; V335-S338 PolarHBondContact O-OG 3.4Å; V335-I339 WeakPolarHBondContact O-CG1 3.2Å; V335-I339 PolarHBondContact O-N 2.84Å; V335-I339 VanDerWaalsContact O-N 3.12Å; V335-L366 HydrophobicContact CG1-CB 4.17Å; V335-L366 HydrophobicContact CG1-CD2 4.26Å; V335-Y369 HydrophobicContact CG1-CD1 4.44Å; V335-Y369 HydrophobicContact CG2-CD1 3.87Å; V335-Y369 HydrophobicContact CG2-CE1 3.75Å; V335-L370 HydrophobicContact CB-CD1 4.38Å; V335-L370 HydrophobicContact CG1-CD1 4.17Å; V335-I373 HydrophobicContact CG2-CD1 4.28Å
336I90Very high85.5Confident96 Ų9641.4 Ų41.449%0.49223%0.227SC..Hα-helixtrans-60.5-42.7178.2-69.7164.4000110.4A332 I333 S338 P340 L370A332-I336 VanDerWaalsContact O-CG1 3.28Å; A332-I336 WeakPolarHBondContact O-CG1 3.28Å; A332-I336 PolarHBondContact O-N 3.45Å; I333-I336 PolarHBondContact O-N 3.43Å; I336-S338 VanDerWaalsContact C-N 3.3Å; I336-S338 PolarHBondContact O-N 2.8Å; I336-P340 WeakPolarHBondContact O-CD 3.37Å; I336-L370 HydrophobicContact CD1-CD1 3.97Å; I336-L370 HydrophobicContact CG1-CD1 3.54Å
337Q89.1Confident84Confident62 Ų6244 Ų4429%0.2923%0.231SC..Hα-helixtrans-72.7-21.7179.4-72.2-172.529.800113.7M276 K279 V281 I333 S334 V335M276-Q337 HydrophobicContact CE-CB 4.17Å; M276-Q337 HydrophobicContact SD-CB 4.38Å; K279-Q337 HydrophobicContact CD-CB 4.48Å; K279-Q337 PolarHBondContact NZ-O 3Å; V281-Q337 VanDerWaalsContact CG2-NE2 3.28Å; I333-Q337 HydrophobicContact CG2-CG 4.31Å; I333-Q337 WeakPolarHBondContact O-CB 3.33Å; I333-Q337 WeakPolarHBondContact O-CG 3.41Å; I333-Q337 PolarHBondContact O-N 3.36Å; S334-Q337 PolarHBondContact O-N 3.24Å; V335-Q337 VanDerWaalsContact C-N 3.28Å; V335-Q337 PolarHBondContact O-N 3.26Å
338S86.6Confident82.5Confident0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-83.7-28.2176.572.60000112.8S334 V335 I336 I341 F342S334-S338 WeakPolarHBondContact O-CB 3.21Å; S334-S338 PolarHBondContact O-N 3.05Å; V335-S338 PolarHBondContact O-N 3.05Å; V335-S338 PolarHBondContact O-OG 3.4Å; I336-S338 VanDerWaalsContact C-N 3.3Å; I336-S338 PolarHBondContact O-N 2.8Å; S338-I341 PolarHBondContact O-N 2.82Å; S338-I341 VanDerWaalsContact O-N 3.17Å; S338-F342 VanDerWaalsContact O-CD2 3.3Å; S338-F342 WeakPolarHBondContact O-CD2 3.48Å; S338-F342 PolarHBondContact O-N 2.94Å
339I85.3Confident81.1Confident31 Ų3150.2 Ų50.216%0.15926%0.261CS..Hα-helixtrans-50.9-51.2178.8-71.8165.4000113.9V335 I341 F342 N343 L366 Q367V335-I339 WeakPolarHBondContact O-CG1 3.2Å; V335-I339 PolarHBondContact O-N 2.84Å; V335-I339 VanDerWaalsContact O-N 3.12Å; I339-I341 VanDerWaalsContact C-N 3.32Å; I339-I341 PolarHBondContact O-N 2.94Å; I339-F342 PolarHBondContact O-N 2.58Å; I339-N343 PolarHBondContact O-N 2.81Å; I339-N343 PolarHBondContact O-ND2 2.76Å; I339-L366 HydrophobicContact CD1-CB 4.42Å; I339-L366 HydrophobicContact CG1-CB 3.94Å; I339-L366 HydrophobicContact CG1-CD1 3.95Å; I339-Q367 HydrophobicContact CD1-CG 4.38Å
340P84Confident79.5Confident59 Ų5952.6 Ų52.638%0.38327%0.268SS..Hα-helixtrans-63.1-40.5179.523.5-32.4000111.6I336 F342 N343 E344I336-P340 WeakPolarHBondContact O-CD 3.37Å; P340-F342 VanDerWaalsContact C-N 3.35Å; P340-F342 PolarHBondContact O-N 2.82Å; P340-N343 WeakPolarHBondContact O-CB 3.35Å; P340-N343 PolarHBondContact O-N 2.91Å; P340-N343 VanDerWaalsContact O-N 3.12Å; P340-E344 PolarHBondContact O-N 3.2Å
341I81.1Confident77.9Confident8 Ų857 Ų574%0.04129%0.294CS..Hα-helixtrans-66-38.8-179.9-43-179.6000111M273 E275 M276 S338 I339 N343 E344 T345M273-I341 HydrophobicContact CE-CB 3.68Å; M273-I341 HydrophobicContact CE-CG2 3.23Å; M273-I341 HydrophobicContact SD-CB 4.23Å; M273-I341 HydrophobicContact SD-CG2 4.18Å; E275-I341 HydrophobicContact CB-CD1 4.18Å; E275-I341 HydrophobicContact CB-CG2 4.37Å; E275-I341 VanDerWaalsContact OE2-CG2 3.31Å; E275-I341 WeakPolarHBondContact OE2-CG2 3.49Å; M276-I341 HydrophobicContact CG-CD1 3.84Å; M276-I341 HydrophobicContact SD-CD1 3.44Å; M276-I341 WeakPolarHBondContact SD-CD1 2.92Å; S338-I341 PolarHBondContact O-N 2.82Å; S338-I341 VanDerWaalsContact O-N 3.17Å; I339-I341 VanDerWaalsContact C-N 3.32Å; I339-I341 PolarHBondContact O-N 2.94Å; I341-N343 VanDerWaalsContact C-N 3.32Å; I341-N343 PolarHBondContact O-N 3.32Å; I341-E344 PolarHBondContact O-N 3.43Å; I341-T345 HydrophobicContact CG2-CG2 4.22Å; I341-T345 WeakPolarHBondContact O-CB 3.32Å; I341-T345 WeakPolarHBondContact O-CG2 3.37Å; I341-T345 PolarHBondContact O-N 3.42Å; I341-T345 PolarHBondContact O-OG1 2.88Å
342F80.1Confident76.2Confident3 Ų361 Ų611%0.01332%0.316CS..Hα-helixtrans-67.3-32.6174.4-88.3-69.4000112.7I269 M273 S338 I339 P340 G346 F348 F362 L366I269-F342 HydrophobicContact CD1-CE2 4Å; M273-F342 HydrophobicContact CE-CD1 4.18Å; M273-F342 HydrophobicContact CE-CD2 4.29Å; M273-F342 HydrophobicContact CE-CE1 4.3Å; M273-F342 HydrophobicContact CE-CE2 4.41Å; M273-F342 HydrophobicContact CE-CG 4.17Å; M273-F342 HydrophobicContact CE-CZ 4.41Å; M273-F342 HydrophobicContact CG-CE1 4.4Å; M273-F342 HydrophobicContact CG-CE2 4.22Å; M273-F342 HydrophobicContact CG-CZ 3.92Å; M273-F342 HydrophobicContact SD-CD1 4.23Å; M273-F342 HydrophobicContact SD-CD2 3.58Å; M273-F342 VanDerWaalsContact SD-CD2 3.58Å; M273-F342 HydrophobicContact SD-CE1 3.99Å; M273-F342 HydrophobicContact SD-CE2 3.3Å; M273-F342 WeakPolarHBondContact SD-CE2 3.26Å; M273-F342 HydrophobicContact SD-CG 4.04Å; M273-F342 HydrophobicContact SD-CZ 3.52Å; M273-F342 VanDerWaalsContact SD-CZ 3.52Å; S338-F342 VanDerWaalsContact O-CD2 3.3Å; S338-F342 WeakPolarHBondContact O-CD2 3.48Å; S338-F342 PolarHBondContact O-N 2.94Å; I339-F342 PolarHBondContact O-N 2.58Å; P340-F342 VanDerWaalsContact C-N 3.35Å; P340-F342 PolarHBondContact O-N 2.82Å; F342-G346 PolarHBondContact O-N 3.27Å; F342-G346 VanDerWaalsContact O-N 3.12Å; F342-F348 HydrophobicContact CE1-CD2 4.13Å; F342-F362 HydrophobicContact CB-CD1 4.35Å; F342-F362 AromaticContact CD1-CD1 3.58Å; F342-F362 HydrophobicContact CD1-CD1 3.58Å; F342-F362 AromaticContact CD1-CE1 4Å; F342-F362 HydrophobicContact CD1-CE1 4Å; F342-F362 HydrophobicContact CD2-CD1 4.18Å; F342-F362 HydrophobicContact CD2-CE1 4.19Å; F342-F362 AromaticContact CE1-CD1 3.83Å; F342-F362 HydrophobicContact CE1-CD1 3.83Å; F342-F362 AromaticContact CE1-CE1 3.78Å; F342-F362 HydrophobicContact CE1-CE1 3.78Å; F342-F362 HydrophobicContact CE2-CD1 4.39Å; F342-F362 AromaticContact CE2-CE1 3.97Å; F342-F362 HydrophobicContact CE2-CE1 3.97Å; F342-F362 AromaticContact CG-CD1 3.79Å; F342-F362 HydrophobicContact CG-CD1 3.79Å; F342-F362 HydrophobicContact CG-CE1 4.2Å; F342-F362 HydrophobicContact CZ-CD1 4.23Å; F342-F362 AromaticContact CZ-CE1 3.77Å; F342-F362 HydrophobicContact CZ-CE1 3.77Å; F342-L366 HydrophobicContact CB-CD1 4.32Å; F342-L366 HydrophobicContact CD2-CD1 3.59Å; F342-L366 HydrophobicContact CE2-CD1 4.19Å; F342-L366 HydrophobicContact CG-CD1 4.13Å
343N78.2Confident74.3Confident72 Ų7266.4 Ų66.439%0.38535%0.35SS..Hα-helixtrans-68.1-37.6173.8-76.2-40.8000111.9I339 P340 I341 S363I339-N343 PolarHBondContact O-N 2.81Å; I339-N343 PolarHBondContact O-ND2 2.76Å; P340-N343 WeakPolarHBondContact O-CB 3.35Å; P340-N343 PolarHBondContact O-N 2.91Å; P340-N343 VanDerWaalsContact O-N 3.12Å; I341-N343 VanDerWaalsContact C-N 3.32Å; I341-N343 PolarHBondContact O-N 3.32Å; N343-S363 PolarHBondContact ND2-OG 2.83Å; N343-S363 WeakPolarHBondContact OD1-CB 3.36Å; N343-S363 PolarHBondContact OD1-OG 2.92Å
344E76.4Confident72.3Confident156 Ų15672.8 Ų72.873%0.72937%0.372SS*.Hα-helixtrans-75.2-46.3179.9-72.8174.5-170.200112.2P340 I341 G346P340-E344 PolarHBondContact O-N 3.2Å; I341-E344 PolarHBondContact O-N 3.43Å; E344-G346 VanDerWaalsContact C-N 3.32Å; E344-G346 PolarHBondContact O-N 3.06Å
345T69.8Low70.7Confident54 Ų5477.8 Ų77.833%0.33140%0.404SS..Hα-helixtrans-73.9-21.4-179.454.60000113.6M273 I341 R347M273-T345 HydrophobicContact CE-CG2 4.05Å; I341-T345 HydrophobicContact CG2-CG2 4.22Å; I341-T345 WeakPolarHBondContact O-CB 3.32Å; I341-T345 WeakPolarHBondContact O-CG2 3.37Å; I341-T345 PolarHBondContact O-N 3.42Å; I341-T345 PolarHBondContact O-OG1 2.88Å; T345-R347 PolarHBondContact O-N 3.42Å
346G62.7Low69.2Low36 Ų3681.9 Ų81.937%0.37143%0.429SS..  trans66.33.7177.400000115.6F342 E344 S349F342-G346 PolarHBondContact O-N 3.27Å; F342-G346 VanDerWaalsContact O-N 3.12Å; E344-G346 VanDerWaalsContact C-N 3.32Å; E344-G346 PolarHBondContact O-N 3.06Å; G346-S349 WeakPolarHBondContact O-CB 3.49Å; G346-S349 PolarHBondContact O-N 3.34Å; G346-S349 PolarHBondContact O-OG 3.11Å
347R59.8Low67.7Low142 Ų14286.7 Ų86.754%0.53645%0.446SS..THydrogen-bonded Turntrans-63.4140.2-179-66.8-173.6177.21670.7110.7T272 T345 S349T272-R347 PolarHBondContact O-NH1 3.38Å; T272-R347 VanDerWaalsContact O-NH1 3.11Å; T345-R347 PolarHBondContact O-N 3.42Å; R347-S349 VanDerWaalsContact C-N 3.29Å; R347-S349 PolarHBondContact O-N 3.26Å
348F58.4Low66.5Low102 Ų10288.4 Ų88.445%0.44746%0.456SS..THydrogen-bonded Turntrans63.917.2-176.2-53.9-76.8000116.9T272 F342 F350 F362T272-F348 HydrophobicContact CG2-CE2 4.32Å; T272-F348 HydrophobicContact CG2-CZ 4.48Å; F342-F348 HydrophobicContact CE1-CD2 4.13Å; F348-F350 PolarHBondContact O-N 3.43Å; F348-F362 HydrophobicContact CB-CB 4.19Å; F348-F362 HydrophobicContact CB-CD2 3.91Å; F348-F362 HydrophobicContact CB-CE2 4.5Å; F348-F362 HydrophobicContact CB-CG 4.02Å
349S60.1Low65.4Low40 Ų4094.8 Ų94.828%0.2848%0.484SS..  trans-77.1113.1170.8-63.30000110.5G346 R347G346-S349 WeakPolarHBondContact O-CB 3.49Å; G346-S349 PolarHBondContact O-N 3.34Å; G346-S349 PolarHBondContact O-OG 3.11Å; R347-S349 VanDerWaalsContact C-N 3.29Å; R347-S349 PolarHBondContact O-N 3.26Å
350F59.6Low64.4Low143 Ų14395.3 Ų95.363%0.62749%0.489SS*.EExtended strand (participates in β ladder)trans-91.7124.6174.2-71.9-82.3000110.5F348 V360F348-F350 PolarHBondContact O-N 3.43Å; F350-V360 PolarHBondContact N-O 2.72Å; F350-V360 PolarHBondContact O-N 3.17Å; F350-V360 VanDerWaalsContact O-N 3.13Å
351T57.8Low63.8Low100 Ų10099.8 Ų99.861%0.61350%0.498SS*.EExtended strand (participates in β ladder)trans-95.2109.3163.152.30000107.8P353 K359T351-P353 WeakPolarHBondContact O-CD 3.31Å; T351-K359 HydrophobicContact CG2-CB 4.36Å; T351-K359 HydrophobicContact CG2-CG 4.08Å
352L55.3Low63.6Low109 Ų109100.6 Ų100.657%0.57150%0.501SS*.  trans-67.5127.7170.6-98.986.8000109
353P53.4Low63.5Low116 Ų116100.9 Ų100.975%0.75350%0.504SS*.  trans-74.1139.9164.515.3-3.9000109.9T351T351-P353 WeakPolarHBondContact O-CD 3.31Å
354Y48.7Very low63.5Low200 Ų200103.1 Ų103.178%0.78451%0.51SS*.SBendtrans9.9132.2173.6-151.4-97.7000119.2
355P58Low63.9Low105 Ų105100.9 Ų100.968%0.68250%0.498SS*.SBendcis-98.1-123.734.7-34.4000116.5
356V58.7Low64.6Low86 Ų8698.3 Ų98.352%0.52148%0.482SS..  trans-125.1108.6179.6-130.20000109.4I358V356-I358 HydrophobicContact CB-CD1 3.92Å; V356-I358 HydrophobicContact CB-CG1 3.93Å; V356-I358 HydrophobicContact CG1-CD1 3.63Å; V356-I358 HydrophobicContact CG1-CG1 3.72Å; V356-I358 PolarHBondContact O-N 3.36Å
357K57.7Low65.6Low197 Ų197101.7 Ų101.786%0.85749%0.489SS*.  trans-72.457173.5-68.1-177-178.9178.90110.7
358I65.8Low66.9Low97 Ų9798.5 Ų98.550%0.49748%0.482SS..  trans-87.1113.4175.9-60173000107.3V356 V360V356-I358 HydrophobicContact CB-CD1 3.92Å; V356-I358 HydrophobicContact CB-CG1 3.93Å; V356-I358 HydrophobicContact CG1-CD1 3.63Å; V356-I358 HydrophobicContact CG1-CG1 3.72Å; V356-I358 PolarHBondContact O-N 3.36Å; I358-V360 HydrophobicContact CG2-CG2 3.78Å; I358-V360 PolarHBondContact O-N 3.07Å
359K62.7Low68.3Low134 Ų13495.4 Ų95.458%0.58347%0.467SS*.EExtended strand (participates in β ladder)trans-78.996.4167.3-174.9177.6-177.9179.20107.9T351 R361T351-K359 HydrophobicContact CG2-CB 4.36Å; T351-K359 HydrophobicContact CG2-CG 4.08Å; K359-R361 PolarHBondContact O-N 2.87Å
360V65.1Low69.7Low42 Ų4295.4 Ų95.426%0.25546%0.464SS..EExtended strand (participates in β ladder)trans-79.1105.9175-175.90000107.6F350 I358 F365F350-V360 PolarHBondContact N-O 2.72Å; F350-V360 PolarHBondContact O-N 3.17Å; F350-V360 VanDerWaalsContact O-N 3.13Å; I358-V360 HydrophobicContact CG2-CG2 3.78Å; I358-V360 PolarHBondContact O-N 3.07Å; V360-F365 HydrophobicContact CG1-CD2 4.32Å; V360-F365 HydrophobicContact CG1-CE2 3.61Å; V360-F365 HydrophobicContact CG1-CZ 4.28Å
361R69.6Low71Confident153 Ų15394.1 Ų94.158%0.57746%0.462SS*.  trans-73.8137.8174.4-74.8-179.3-98.6170.9-6.6109.4K359 S363 F364K359-R361 PolarHBondContact O-N 2.87Å; R361-S363 PolarHBondContact O-N 2.86Å; R361-F364 WeakPolarHBondContact O-CB 3.32Å; R361-F364 PolarHBondContact O-N 2.79Å
362F76.9Confident72.4Confident25 Ų2594.5 Ų94.511%0.1146%0.458CS..Hα-helixtrans-55.8-26.9177.3-174.5-113.9000113.1F264 I268 F342 F348 F364 F365 L366F264-F362 HydrophobicContact CZ-CZ 4.22Å; I268-F362 HydrophobicContact CG2-CE1 4.38Å; I268-F362 HydrophobicContact CG2-CZ 3.94Å; F342-F362 HydrophobicContact CB-CD1 4.35Å; F342-F362 AromaticContact CD1-CD1 3.58Å; F342-F362 HydrophobicContact CD1-CD1 3.58Å; F342-F362 AromaticContact CD1-CE1 4Å; F342-F362 HydrophobicContact CD1-CE1 4Å; F342-F362 HydrophobicContact CD2-CD1 4.18Å; F342-F362 HydrophobicContact CD2-CE1 4.19Å; F342-F362 AromaticContact CE1-CD1 3.83Å; F342-F362 HydrophobicContact CE1-CD1 3.83Å; F342-F362 AromaticContact CE1-CE1 3.78Å; F342-F362 HydrophobicContact CE1-CE1 3.78Å; F342-F362 HydrophobicContact CE2-CD1 4.39Å; F342-F362 AromaticContact CE2-CE1 3.97Å; F342-F362 HydrophobicContact CE2-CE1 3.97Å; F342-F362 AromaticContact CG-CD1 3.79Å; F342-F362 HydrophobicContact CG-CD1 3.79Å; F342-F362 HydrophobicContact CG-CE1 4.2Å; F342-F362 HydrophobicContact CZ-CD1 4.23Å; F342-F362 AromaticContact CZ-CE1 3.77Å; F342-F362 HydrophobicContact CZ-CE1 3.77Å; F348-F362 HydrophobicContact CB-CB 4.19Å; F348-F362 HydrophobicContact CB-CD2 3.91Å; F348-F362 HydrophobicContact CB-CE2 4.5Å; F348-F362 HydrophobicContact CB-CG 4.02Å; F362-F364 PolarHBondContact O-N 2.85Å; F362-F364 VanDerWaalsContact O-N 3.16Å; F362-F365 HydrophobicContact CD2-CB 4.35Å; F362-F365 HydrophobicContact CD2-CD2 4.39Å; F362-F365 HydrophobicContact CE2-CB 4.43Å; F362-F365 WeakPolarHBondContact O-CB 2.9Å; F362-F365 PolarHBondContact O-N 2.89Å; F362-L366 HydrophobicContact CD1-CD1 3.79Å; F362-L366 HydrophobicContact CD1-CG 3.97Å; F362-L366 HydrophobicContact CE1-CD1 3.78Å; F362-L366 HydrophobicContact CE1-CD2 3.8Å; F362-L366 HydrophobicContact CE1-CG 3.71Å; F362-L366 HydrophobicContact CZ-CD2 4.17Å; F362-L366 HydrophobicContact CZ-CG 4.31Å; F362-L366 PolarHBondContact O-N 2.76Å; F362-L366 VanDerWaalsContact O-N 3.1Å
363S78.3Confident73.9Confident10 Ų1090.1 Ų90.17%0.0744%0.435CS..Hα-helixtrans-54.7-30.6173.5-55.40000114.7N343 R361 L366 Q367N343-S363 PolarHBondContact ND2-OG 2.83Å; N343-S363 WeakPolarHBondContact OD1-CB 3.36Å; N343-S363 PolarHBondContact OD1-OG 2.92Å; R361-S363 PolarHBondContact O-N 2.86Å; S363-L366 PolarHBondContact O-N 2.75Å; S363-Q367 WeakPolarHBondContact O-CG 3.22Å; S363-Q367 PolarHBondContact O-N 2.76Å
364F79.6Confident75.6Confident118 Ų11889.6 Ų89.652%0.51842%0.421SS..Hα-helixtrans-68-40.4174.3-178.5-105.3000111.7R361 F362 Q367 I368R361-F364 WeakPolarHBondContact O-CB 3.32Å; R361-F364 PolarHBondContact O-N 2.79Å; F362-F364 PolarHBondContact O-N 2.85Å; F362-F364 VanDerWaalsContact O-N 3.16Å; F364-Q367 PolarHBondContact O-N 2.78Å; F364-I368 HydrophobicContact CD1-CD1 3.85Å; F364-I368 HydrophobicContact CE1-CD1 3.37Å; F364-I368 HydrophobicContact CE1-CG1 4.37Å; F364-I368 HydrophobicContact CZ-CD1 3.77Å; F364-I368 HydrophobicContact CZ-CG1 4.43Å; F364-I368 PolarHBondContact O-N 2.77Å; F364-I368 VanDerWaalsContact O-N 3.09Å
365F83.1Confident77.4Confident109 Ų10984.4 Ų84.448%0.47841%0.406SS..Hα-helixtrans-65-39.8174.4-70.1-77.1000111.7V360 F362 Q367 I368 Y369V360-F365 HydrophobicContact CG1-CD2 4.32Å; V360-F365 HydrophobicContact CG1-CE2 3.61Å; V360-F365 HydrophobicContact CG1-CZ 4.28Å; F362-F365 HydrophobicContact CD2-CB 4.35Å; F362-F365 HydrophobicContact CD2-CD2 4.39Å; F362-F365 HydrophobicContact CE2-CB 4.43Å; F362-F365 WeakPolarHBondContact O-CB 2.9Å; F362-F365 PolarHBondContact O-N 2.89Å; F365-Q367 VanDerWaalsContact C-N 3.34Å; F365-Q367 PolarHBondContact O-N 2.86Å; F365-I368 PolarHBondContact O-N 2.81Å; F365-Y369 WeakPolarHBondContact O-CB 3Å; F365-Y369 PolarHBondContact O-N 2.88Å
366L84.4Confident78.6Confident0 Ų080.1 Ų80.10%038%0.382CS..Hα-helixtrans-63.7-37.1175.3-69.5172.4000112.6F264 I269 V335 I339 F342 F362 S363 Y369 L370F264-L366 HydrophobicContact CE1-CD2 4.01Å; F264-L366 HydrophobicContact CZ-CD2 4.02Å; I269-L366 HydrophobicContact CD1-CD2 3.65Å; V335-L366 HydrophobicContact CG1-CB 4.17Å; V335-L366 HydrophobicContact CG1-CD2 4.26Å; I339-L366 HydrophobicContact CD1-CB 4.42Å; I339-L366 HydrophobicContact CG1-CB 3.94Å; I339-L366 HydrophobicContact CG1-CD1 3.95Å; F342-L366 HydrophobicContact CB-CD1 4.32Å; F342-L366 HydrophobicContact CD2-CD1 3.59Å; F342-L366 HydrophobicContact CE2-CD1 4.19Å; F342-L366 HydrophobicContact CG-CD1 4.13Å; F362-L366 HydrophobicContact CD1-CD1 3.79Å; F362-L366 HydrophobicContact CD1-CG 3.97Å; F362-L366 HydrophobicContact CE1-CD1 3.78Å; F362-L366 HydrophobicContact CE1-CD2 3.8Å; F362-L366 HydrophobicContact CE1-CG 3.71Å; F362-L366 HydrophobicContact CZ-CD2 4.17Å; F362-L366 HydrophobicContact CZ-CG 4.31Å; F362-L366 PolarHBondContact O-N 2.76Å; F362-L366 VanDerWaalsContact O-N 3.1Å; S363-L366 PolarHBondContact O-N 2.75Å; L366-Y369 PolarHBondContact O-N 2.73Å; L366-L370 PolarHBondContact O-N 2.88Å
367Q85.1Confident79.9Confident108 Ų10878 Ų7851%0.50537%0.367SS..Hα-helixtrans-65.8-43.3174.6-74.8173.7-11.400112.2I339 S363 F364 F365 Y369 L370 I371I339-Q367 HydrophobicContact CD1-CG 4.38Å; S363-Q367 WeakPolarHBondContact O-CG 3.22Å; S363-Q367 PolarHBondContact O-N 2.76Å; F364-Q367 PolarHBondContact O-N 2.78Å; F365-Q367 VanDerWaalsContact C-N 3.34Å; F365-Q367 PolarHBondContact O-N 2.86Å; Q367-Y369 VanDerWaalsContact C-N 3.31Å; Q367-Y369 PolarHBondContact O-N 2.74Å; Q367-L370 WeakPolarHBondContact O-CB 3.5Å; Q367-L370 PolarHBondContact O-N 3.14Å; Q367-I371 PolarHBondContact O-N 3.07Å
368I86.4Confident81.2Confident75 Ų7576 Ų7639%0.38536%0.355SS..Hα-helixtrans-61.4-44.1173.2-68.5170.8000110.2F364 F365 L370 I371 M372F364-I368 HydrophobicContact CD1-CD1 3.85Å; F364-I368 HydrophobicContact CE1-CD1 3.37Å; F364-I368 HydrophobicContact CE1-CG1 4.37Å; F364-I368 HydrophobicContact CZ-CD1 3.77Å; F364-I368 HydrophobicContact CZ-CG1 4.43Å; F364-I368 PolarHBondContact O-N 2.77Å; F364-I368 VanDerWaalsContact O-N 3.09Å; F365-I368 PolarHBondContact O-N 2.81Å; I368-L370 VanDerWaalsContact C-N 3.28Å; I368-L370 PolarHBondContact O-N 3.46Å; I368-I371 WeakPolarHBondContact O-CB 3.34Å; I368-I371 PolarHBondContact O-N 2.97Å; I368-I371 VanDerWaalsContact O-N 3.15Å; I368-M372 HydrophobicContact CG2-CG 4.33Å; I368-M372 WeakPolarHBondContact O-CG 3.4Å; I368-M372 PolarHBondContact O-N 3.43Å
369Y87.9Confident82.1Confident37 Ų3776.1 Ų76.115%0.14536%0.356CS..Hα-helixtrans-60.4-38.6178.1178.7-103.6000112.1G261 F264 I265 V335 F365 L366 Q367 I371 M372 I373G261-Y369 PolarHBondContact O-OH 3.22Å; F264-Y369 HydrophobicContact CB-CE2 4.27Å; F264-Y369 AromaticContact CD1-CD1 3.92Å; F264-Y369 HydrophobicContact CD1-CD1 3.92Å; F264-Y369 HydrophobicContact CD1-CD2 4.04Å; F264-Y369 AromaticContact CD1-CE1 3.48Å; F264-Y369 HydrophobicContact CD1-CE1 3.48Å; F264-Y369 VanDerWaalsContact CD1-CE1 3.48Å; F264-Y369 AromaticContact CD1-CE2 3.64Å; F264-Y369 HydrophobicContact CD1-CE2 3.64Å; F264-Y369 HydrophobicContact CD1-CG 4.17Å; F264-Y369 AromaticContact CD1-CZ 3.34Å; F264-Y369 AromaticContact CE1-CD1 3.65Å; F264-Y369 HydrophobicContact CE1-CD1 3.65Å; F264-Y369 HydrophobicContact CE1-CD2 4.1Å; F264-Y369 AromaticContact CE1-CE1 3.7Å; F264-Y369 HydrophobicContact CE1-CE1 3.7Å; F264-Y369 HydrophobicContact CE1-CE2 4.16Å; F264-Y369 AromaticContact CE1-CG 3.86Å; F264-Y369 HydrophobicContact CE1-CG 3.86Å; F264-Y369 AromaticContact CE1-CZ 3.98Å; F264-Y369 HydrophobicContact CG-CE2 4Å; F264-Y369 HydrophobicContact CZ-CG 4.47Å; I265-Y369 HydrophobicContact CD1-CE1 3.74Å; V335-Y369 HydrophobicContact CG1-CD1 4.44Å; V335-Y369 HydrophobicContact CG2-CD1 3.87Å; V335-Y369 HydrophobicContact CG2-CE1 3.75Å; F365-Y369 WeakPolarHBondContact O-CB 3Å; F365-Y369 PolarHBondContact O-N 2.88Å; L366-Y369 PolarHBondContact O-N 2.73Å; Q367-Y369 VanDerWaalsContact C-N 3.31Å; Q367-Y369 PolarHBondContact O-N 2.74Å; Y369-I371 PolarHBondContact O-N 3.3Å; Y369-M372 CarbonylContact O-C 3.49Å; Y369-M372 WeakPolarHBondContact O-CB 3.33Å; Y369-M372 PolarHBondContact O-N 3.36Å; Y369-M372 VanDerWaalsContact O-N 3.14Å; Y369-I373 HydrophobicContact CD1-CD1 3.67Å; Y369-I373 HydrophobicContact CD1-CG1 4.27Å; Y369-I373 HydrophobicContact CE1-CD1 3.17Å; Y369-I373 HydrophobicContact CE1-CG1 3.82Å; Y369-I373 HydrophobicContact CE2-CG1 4.4Å; Y369-I373 WeakPolarHBondContact O-CG1 3.37Å; Y369-I373 PolarHBondContact O-N 2.95Å
370L88.8Confident83.1Confident39 Ų3970.6 Ų70.620%0.20433%0.333CS..Hα-helixtrans-60.2-43.5174.4-166.7123.3000112A332 V335 I336 L366 Q367 I368 M372 I373 F374A332-L370 HydrophobicContact CB-CD1 4.43Å; V335-L370 HydrophobicContact CB-CD1 4.38Å; V335-L370 HydrophobicContact CG1-CD1 4.17Å; I336-L370 HydrophobicContact CD1-CD1 3.97Å; I336-L370 HydrophobicContact CG1-CD1 3.54Å; L366-L370 PolarHBondContact O-N 2.88Å; Q367-L370 WeakPolarHBondContact O-CB 3.5Å; Q367-L370 PolarHBondContact O-N 3.14Å; I368-L370 VanDerWaalsContact C-N 3.28Å; I368-L370 PolarHBondContact O-N 3.46Å; L370-M372 VanDerWaalsContact C-N 3.32Å; L370-M372 PolarHBondContact O-N 3.28Å; L370-I373 PolarHBondContact O-N 2.93Å; L370-F374 HydrophobicContact CD2-CD2 4.43Å; L370-F374 HydrophobicContact CD2-CE2 3.98Å; L370-F374 HydrophobicContact CG-CE2 4.22Å; L370-F374 WeakPolarHBondContact O-CD2 3.32Å; L370-F374 PolarHBondContact O-N 3.2Å
371I88.6Confident84.1Confident117 Ų11771.3 Ų71.360%0.633%0.333SS*.Hα-helixtrans-63-41.9174.3-61.7169.1000110.5Q367 I368 Y369 I373 F374 L375Q367-I371 PolarHBondContact O-N 3.07Å; I368-I371 WeakPolarHBondContact O-CB 3.34Å; I368-I371 PolarHBondContact O-N 2.97Å; I368-I371 VanDerWaalsContact O-N 3.15Å; Y369-I371 PolarHBondContact O-N 3.3Å; I371-I373 VanDerWaalsContact C-N 3.35Å; I371-I373 PolarHBondContact O-N 3.14Å; I371-F374 PolarHBondContact O-N 3.3Å; I371-L375 PolarHBondContact O-N 3.5Å; I371-L375 VanDerWaalsContact O-N 3.07Å
372M87.1Confident84.8Confident108 Ų10872.8 Ų72.853%0.53234%0.338SS..Hα-helixtrans-63.9-35.8178.7-72.4-64.3-66.100113I368 Y369 L370 L375 G376I368-M372 HydrophobicContact CG2-CG 4.33Å; I368-M372 WeakPolarHBondContact O-CG 3.4Å; I368-M372 PolarHBondContact O-N 3.43Å; Y369-M372 CarbonylContact O-C 3.49Å; Y369-M372 WeakPolarHBondContact O-CB 3.33Å; Y369-M372 PolarHBondContact O-N 3.36Å; Y369-M372 VanDerWaalsContact O-N 3.14Å; L370-M372 VanDerWaalsContact C-N 3.32Å; L370-M372 PolarHBondContact O-N 3.28Å; M372-L375 PolarHBondContact O-N 3.35Å; M372-L375 HydrophobicContact SD-CD2 4.37Å; M372-G376 PolarHBondContact O-N 2.91Å
373I87Confident85Confident17 Ų1774.5 Ų74.59%0.08735%0.347CS..Hα-helixtrans-58.8-49.5174.9-76.2166.5000110.5C328 V335 Y369 L370 I371 L375 G376 L377C328-I373 WeakPolarHBondContact SG-CG2 3.36Å; V335-I373 HydrophobicContact CG2-CD1 4.28Å; Y369-I373 HydrophobicContact CD1-CD1 3.67Å; Y369-I373 HydrophobicContact CD1-CG1 4.27Å; Y369-I373 HydrophobicContact CE1-CD1 3.17Å; Y369-I373 HydrophobicContact CE1-CG1 3.82Å; Y369-I373 HydrophobicContact CE2-CG1 4.4Å; Y369-I373 WeakPolarHBondContact O-CG1 3.37Å; Y369-I373 PolarHBondContact O-N 2.95Å; L370-I373 PolarHBondContact O-N 2.93Å; I371-I373 VanDerWaalsContact C-N 3.35Å; I371-I373 PolarHBondContact O-N 3.14Å; I373-L375 PolarHBondContact O-N 3.22Å; I373-G376 PolarHBondContact O-N 3.4Å; I373-L377 PolarHBondContact O-N 3.07Å
374F87.6Confident85.3Confident105 Ų10575.3 Ų75.346%0.46135%0.35SS..Hα-helixtrans-66.5-39.3-180-73.3-71.7000112.6A332 L370 I371 L377 Y378A332-F374 HydrophobicContact CB-CE2 4.44Å; A332-F374 HydrophobicContact CB-CZ 4.24Å; L370-F374 HydrophobicContact CD2-CD2 4.43Å; L370-F374 HydrophobicContact CD2-CE2 3.98Å; L370-F374 HydrophobicContact CG-CE2 4.22Å; L370-F374 WeakPolarHBondContact O-CD2 3.32Å; L370-F374 PolarHBondContact O-N 3.2Å; I371-F374 PolarHBondContact O-N 3.3Å; F374-L377 WeakPolarHBondContact O-CB 3.41Å; F374-L377 PolarHBondContact O-N 3.46Å; F374-Y378 PolarHBondContact O-N 3.03Å; F374-Y378 VanDerWaalsContact O-N 3.08Å
375L86.9Confident85.4Confident90 Ų9075.2 Ų75.247%0.47135%0.347SS..Hα-helixtrans-63.9-43.3174.8-174.864.6000111.3I371 M372 I373 L377 Y378 I379I371-L375 PolarHBondContact O-N 3.5Å; I371-L375 VanDerWaalsContact O-N 3.07Å; M372-L375 PolarHBondContact O-N 3.35Å; M372-L375 HydrophobicContact SD-CD2 4.37Å; I373-L375 PolarHBondContact O-N 3.22Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 3.05Å; L375-Y378 PolarHBondContact O-N 3.01Å; L375-I379 HydrophobicContact CG-CD1 4.18Å; L375-I379 WeakPolarHBondContact O-CG1 3.16Å; L375-I379 PolarHBondContact O-N 3.41Å; L375-I379 VanDerWaalsContact O-N 3.08Å
376G84Confident85.5Confident16 Ų1675.4 Ų75.417%0.16535%0.348CS..Hα-helixtrans-61.3-40.7175.600000112.5M372 I373 I379 N380M372-G376 PolarHBondContact O-N 2.91Å; I373-G376 PolarHBondContact O-N 3.4Å; G376-I379 PolarHBondContact O-N 2.94Å; G376-N380 WeakPolarHBondContact O-CB 3.48Å; G376-N380 PolarHBondContact O-N 2.7Å; G376-N380 PolarHBondContact O-ND2 3.17Å
377L85.1Confident85.4Confident41 Ų4178.1 Ų78.122%0.21536%0.36CS..Hα-helixtrans-59.6-48.9174.1-176.670.7000111C328 I373 F374 L375 I379 N380 F381C328-L377 HydrophobicContact CB-CD1 4.06Å; C328-L377 HydrophobicContact CB-CD2 4.16Å; I373-L377 PolarHBondContact O-N 3.07Å; F374-L377 WeakPolarHBondContact O-CB 3.41Å; F374-L377 PolarHBondContact O-N 3.46Å; L375-L377 VanDerWaalsContact C-N 3.35Å; L375-L377 PolarHBondContact O-N 3.05Å; L377-I379 PolarHBondContact O-N 3.22Å; L377-N380 PolarHBondContact O-N 2.95Å; L377-F381 HydrophobicContact CD1-CD2 3.66Å; L377-F381 HydrophobicContact CD1-CE2 3.56Å; L377-F381 HydrophobicContact CG-CD2 3.91Å; L377-F381 HydrophobicContact CG-CE2 4.12Å; L377-F381 WeakPolarHBondContact O-CB 3.43Å; L377-F381 WeakPolarHBondContact O-CD2 3.32Å; L377-F381 PolarHBondContact O-N 2.98Å
378Y85.7Confident85.3Confident155 Ų15576.7 Ų76.761%0.60835%0.35SS*.Hα-helixtrans-59.6-46.2-179.7176-106.1000112.3F374 L375 F381 R382F374-Y378 PolarHBondContact O-N 3.03Å; F374-Y378 VanDerWaalsContact O-N 3.08Å; L375-Y378 PolarHBondContact O-N 3.01Å; Y378-F381 PolarHBondContact O-N 2.93Å; Y378-R382 PolarHBondContact O-N 2.88Å
379I85.1Confident85.1Confident99 Ų9980.7 Ų80.751%0.50836%0.36SS..Hα-helixtrans-62.7-45.6177.9-65.6167.9000110.6L375 G376 L377 R382 H383L375-I379 HydrophobicContact CG-CD1 4.18Å; L375-I379 WeakPolarHBondContact O-CG1 3.16Å; L375-I379 PolarHBondContact O-N 3.41Å; L375-I379 VanDerWaalsContact O-N 3.08Å; G376-I379 PolarHBondContact O-N 2.94Å; L377-I379 PolarHBondContact O-N 3.22Å; I379-R382 PolarHBondContact O-N 2.78Å; I379-H383 PolarHBondContact O-N 3.49Å
380N83.7Confident84.7Confident18 Ų1886.4 Ų86.410%0.09638%0.382CS..Hα-helixtrans-63.2-43.7178.3-85.2-62.1000112.2Q258 G376 L377 R382 H383 L384Q258-N380 PolarHBondContact NE2-OD1 2.91Å; G376-N380 WeakPolarHBondContact O-CB 3.48Å; G376-N380 PolarHBondContact O-N 2.7Å; G376-N380 PolarHBondContact O-ND2 3.17Å; L377-N380 PolarHBondContact O-N 2.95Å; N380-R382 VanDerWaalsContact C-N 3.34Å; N380-R382 PolarHBondContact O-N 2.77Å; N380-H383 WeakPolarHBondContact O-CB 3.3Å; N380-H383 PolarHBondContact O-N 3.32Å; N380-H383 VanDerWaalsContact O-N 3.17Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 WeakPolarHBondContact O-CG 3.42Å; N380-L384 PolarHBondContact O-N 3.09Å
381F84.5Confident84.1Confident57 Ų5791.5 Ų91.525%0.2540%0.398CS..Hα-helixtrans-57.2-47.7176-103.1-108.3000111.5W320 P325 L377 Y378 H383 L384 Y385W320-F381 HydrophobicContact CE3-CE1 4.19Å; W320-F381 HydrophobicContact CE3-CE2 4.29Å; W320-F381 HydrophobicContact CE3-CZ 4.05Å; W320-F381 HydrophobicContact CH2-CD1 4.42Å; W320-F381 AromaticContact CZ3-CD1 3.6Å; W320-F381 HydrophobicContact CZ3-CD1 3.6Å; W320-F381 HydrophobicContact CZ3-CD2 4.31Å; W320-F381 AromaticContact CZ3-CE1 3.56Å; W320-F381 HydrophobicContact CZ3-CE1 3.56Å; W320-F381 HydrophobicContact CZ3-CE2 4.27Å; W320-F381 AromaticContact CZ3-CG 3.97Å; W320-F381 HydrophobicContact CZ3-CG 3.97Å; W320-F381 AromaticContact CZ3-CZ 3.89Å; W320-F381 HydrophobicContact CZ3-CZ 3.89Å; P325-F381 HydrophobicContact CG-CE1 4.45Å; P325-F381 HydrophobicContact CG-CE2 3.94Å; P325-F381 HydrophobicContact CG-CZ 3.45Å; P325-F381 VanDerWaalsContact CG-CZ 3.45Å; L377-F381 HydrophobicContact CD1-CD2 3.66Å; L377-F381 HydrophobicContact CD1-CE2 3.56Å; L377-F381 HydrophobicContact CG-CD2 3.91Å; L377-F381 HydrophobicContact CG-CE2 4.12Å; L377-F381 WeakPolarHBondContact O-CB 3.43Å; L377-F381 WeakPolarHBondContact O-CD2 3.32Å; L377-F381 PolarHBondContact O-N 2.98Å; Y378-F381 PolarHBondContact O-N 2.93Å; F381-H383 VanDerWaalsContact C-N 3.29Å; F381-H383 PolarHBondContact O-N 3.33Å; F381-L384 PolarHBondContact O-N 2.84Å; F381-Y385 WeakPolarHBondContact O-CB 3.37Å; F381-Y385 PolarHBondContact O-N 3.11Å
382R84.2Confident83.3Confident185 Ų18590.8 Ų90.870%0.69839%0.389SS*.Hα-helixtrans-61-41177.8-169.8178.2-177.5-168.41.8111.5Y378 I379 N380 K386Y378-R382 PolarHBondContact O-N 2.88Å; I379-R382 PolarHBondContact O-N 2.78Å; N380-R382 VanDerWaalsContact C-N 3.34Å; N380-R382 PolarHBondContact O-N 2.77Å; R382-K386 WeakPolarHBondContact O-CB 3.32Å; R382-K386 PolarHBondContact O-N 3.09Å; R382-K386 VanDerWaalsContact O-N 3.11Å
383H82.9Confident82.1Confident61 Ų6188 Ų8828%0.28239%0.388SS..Hα-helixtrans-65.6-51.9178-17583.3000112.2I379 N380 F381 Y385 K386 Q387I379-H383 PolarHBondContact O-N 3.49Å; N380-H383 WeakPolarHBondContact O-CB 3.3Å; N380-H383 PolarHBondContact O-N 3.32Å; N380-H383 VanDerWaalsContact O-N 3.17Å; F381-H383 VanDerWaalsContact C-N 3.29Å; F381-H383 PolarHBondContact O-N 3.33Å; H383-Y385 VanDerWaalsContact C-N 3.34Å; H383-Y385 PolarHBondContact O-N 2.91Å; H383-K386 WeakPolarHBondContact O-CB 3.35Å; H383-K386 PolarHBondContact O-N 2.81Å; H383-K386 VanDerWaalsContact O-N 3.14Å; H383-Q387 PolarHBondContact CD2-NE2 2.82Å; H383-Q387 PolarHBondContact NE2-NE2 3.02Å; H383-Q387 PolarHBondContact O-N 3.05Å
384L83.1Confident80.7Confident26 Ų2695 Ų9514%0.13642%0.42CS..Hα-helixtrans-64.4-38.3-179.4-69.6169.5000111.9W320 Y324 N380 F381 K386 Q387 R388W320-L384 HydrophobicContact CB-CD1 4.24Å; W320-L384 HydrophobicContact CD2-CB 3.94Å; W320-L384 HydrophobicContact CD2-CD1 3.9Å; W320-L384 HydrophobicContact CD2-CG 4.49Å; W320-L384 HydrophobicContact CE3-CB 4.08Å; W320-L384 HydrophobicContact CE3-CD1 3.88Å; W320-L384 HydrophobicContact CG-CD1 4.06Å; W320-L384 HydrophobicContact CH2-CB 4.03Å; W320-L384 HydrophobicContact CZ2-CB 3.9Å; W320-L384 HydrophobicContact CZ3-CB 4.11Å; Y324-L384 HydrophobicContact CD2-CD1 4.09Å; Y324-L384 HydrophobicContact CE2-CD1 3.75Å; N380-L384 WeakPolarHBondContact O-CB 3.34Å; N380-L384 WeakPolarHBondContact O-CG 3.42Å; N380-L384 PolarHBondContact O-N 3.09Å; F381-L384 PolarHBondContact O-N 2.84Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 2.98Å; L384-Q387 WeakPolarHBondContact O-CB 3.36Å; L384-Q387 PolarHBondContact O-N 3.18Å; L384-R388 PolarHBondContact O-N 2.88Å
385Y83.3Confident78.9Confident116 Ų11699.8 Ų99.846%0.45544%0.441SS..Hα-helixtrans-63.2-39.9173.9-165.6-95.7000111.8W320 F381 H383 R388 R389W320-Y385 HydrophobicContact CH2-CD2 4.35Å; F381-Y385 WeakPolarHBondContact O-CB 3.37Å; F381-Y385 PolarHBondContact O-N 3.11Å; H383-Y385 VanDerWaalsContact C-N 3.34Å; H383-Y385 PolarHBondContact O-N 2.91Å; Y385-R388 PolarHBondContact O-N 3.33Å; Y385-R389 HydrophobicContact CD1-CG 4.33Å; Y385-R389 HydrophobicContact CE1-CG 4.03Å; Y385-R389 PolarHBondContact O-N 3.45Å
386K84.3Confident77Confident114 Ų114105 Ų10550%0.49646%0.459SS..Hα-helixtrans-63.8-40.7173-169179.5-175179.90111.5R382 H383 L384 R389 R390R382-K386 WeakPolarHBondContact O-CB 3.32Å; R382-K386 PolarHBondContact O-N 3.09Å; R382-K386 VanDerWaalsContact O-N 3.11Å; H383-K386 WeakPolarHBondContact O-CB 3.35Å; H383-K386 PolarHBondContact O-N 2.81Å; H383-K386 VanDerWaalsContact O-N 3.14Å; L384-K386 VanDerWaalsContact C-N 3.33Å; L384-K386 PolarHBondContact O-N 2.98Å; K386-R389 PolarHBondContact O-N 3.23Å; K386-R390 WeakPolarHBondContact O-CG 3.45Å; K386-R390 PolarHBondContact O-N 3.37Å
387Q81.2Confident75.2Confident56 Ų56113.7 Ų113.726%0.26249%0.493SS..Hα-helixtrans-62.4-47.6175.4-70.4-170.4-2.400112Y317 H383 L384 R389 R390 R391Y317-Q387 HydrophobicContact CE1-CB 4.48Å; H383-Q387 PolarHBondContact CD2-NE2 2.82Å; H383-Q387 PolarHBondContact NE2-NE2 3.02Å; H383-Q387 PolarHBondContact O-N 3.05Å; L384-Q387 WeakPolarHBondContact O-CB 3.36Å; L384-Q387 PolarHBondContact O-N 3.18Å; Q387-R389 PolarHBondContact O-N 3.22Å; Q387-R390 PolarHBondContact O-N 3.02Å; Q387-R390 VanDerWaalsContact O-N 3.17Å; Q387-R391 PolarHBondContact O-N 3.44Å; Q387-R391 VanDerWaalsContact O-N 3.16Å
388R83.1Confident73.2Confident78 Ų78121.5 Ų121.529%0.29453%0.525SS..Hα-helixtrans-59.2-45.1177.1-173.8-178.5-178.4-164.31.4111.6Y317 I321 L384 Y385 R390 R391 Y392Y317-R388 WeakPolarHBondContact O-CD 3.46Å; I321-R388 VanDerWaalsContact CD1-NH1 3.27Å; L384-R388 PolarHBondContact O-N 2.88Å; Y385-R388 PolarHBondContact O-N 3.33Å; R388-R390 VanDerWaalsContact C-N 3.33Å; R388-R390 PolarHBondContact O-N 3.01Å; R388-R391 PolarHBondContact O-N 3.01Å; R388-Y392 HydrophobicContact CG-CD2 4.07Å; R388-Y392 PolarHBondContact O-N 3.01Å
389R82.9Confident71.3Confident159 Ų159121.5 Ų121.560%0.653%0.534SS*.Hα-helixtrans-63.1-35.2176.5-79.3-155.4-72.8-162-4.6113Y385 K386 Q387 G393Y385-R389 HydrophobicContact CD1-CG 4.33Å; Y385-R389 HydrophobicContact CE1-CG 4.03Å; Y385-R389 PolarHBondContact O-N 3.45Å; K386-R389 PolarHBondContact O-N 3.23Å; Q387-R389 PolarHBondContact O-N 3.22Å; R389-G393 WeakPolarHBondContact O-CA 3.45Å; R389-G393 PolarHBondContact O-N 3.3Å
390R80.1Confident69Low158 Ų158129.1 Ų129.160%0.59657%0.567SS**Hα-helixtrans-65.1-42.3175.4-75.6172.8173.1-178-6.5112.1K386 Q387 R388K386-R390 WeakPolarHBondContact O-CG 3.45Å; K386-R390 PolarHBondContact O-N 3.37Å; Q387-R390 PolarHBondContact O-N 3.02Å; Q387-R390 VanDerWaalsContact O-N 3.17Å; R388-R390 VanDerWaalsContact C-N 3.33Å; R388-R390 PolarHBondContact O-N 3.01Å
391R75.3Confident68.3Low145 Ų145134.7 Ų134.755%0.54759%0.591SS.*Hα-helixtrans-73.3-41.1-178.5-166.867.7169.8-177.8-2.3113.2Y317 Q387 R388Y317-R391 HydrophobicContact CE2-CG 4.24Å; Q387-R391 PolarHBondContact O-N 3.44Å; Q387-R391 VanDerWaalsContact O-N 3.16Å; R388-R391 PolarHBondContact O-N 3.01Å
392Y73.4Confident67.5Low102 Ų102138.8 Ų138.840%0.461%0.608SS.*Hα-helixtrans-106.5-16.5-174.1-67-72.5000115W314 Y317 R388W314-Y392 WeakPolarHBondContact CA-OH 3.25Å; Y317-Y392 HydrophobicContact CD2-CE2 4.14Å; Y317-Y392 HydrophobicContact CG-CE2 4.31Å; R388-Y392 HydrophobicContact CG-CD2 4.07Å; R388-Y392 PolarHBondContact O-N 3.01Å
393G61.3Low66.5Low50 Ų50136.2 Ų136.252%0.51560%0.603SS.*G310 helixtrans-84.8-14.8-173.900000115.5R389 K395R389-G393 WeakPolarHBondContact O-CA 3.45Å; R389-G393 PolarHBondContact O-N 3.3Å; G393-K395 VanDerWaalsContact C-N 3.32Å; G393-K395 PolarHBondContact O-N 2.96Å
394Q56.6Low65.6Low165 Ų165140.6 Ų140.677%0.77162%0.622SS**G310 helixtrans-79.3-6.7-177.3-75.3-170-20.100114.9K396Q394-K396 PolarHBondContact O-N 3.13Å; Q394-K396 VanDerWaalsContact O-N 3.14Å
395K50.3Low64.5Low204 Ų204147.8 Ų147.889%0.88765%0.653SS**G310 helixtrans-72.2-0.3-179.9-83.8-170.6174.4-173.40115.7G393G393-K395 VanDerWaalsContact C-N 3.32Å; G393-K395 PolarHBondContact O-N 2.96Å
396K47.4Very low63.2Low199 Ų199149.9 Ų149.987%0.86567%0.666SS**G310 helixtrans-106.48.1-175.3-82.5-167.6174.3-171.10116.7Q394Q394-K396 PolarHBondContact O-N 3.13Å; Q394-K396 VanDerWaalsContact O-N 3.14Å
397K46.6Very low61.7Low199 Ų199152.5 Ų152.587%0.86568%0.678SS**SBendtrans-127.261.3178.1-81.1-169.7172.9-172.60113.3
398K42.4Very low60.2Low206 Ų206159.9 Ų159.990%0.89671%0.71SS**  trans-155.964.1154.1-76.9-158.6-179.1-177.90109.4
399I45.7Very low58.3Low155 Ų155166.8 Ų166.880%0.79575%0.745SS**  trans-142.996.9156.1-58.3179.8000104.8
400H37.8Very low56.1Low259 Ų259167.5 Ų167.5100%1.19976%0.758SS**  trans-171.20139-98.6-56.6000108.7

Retrieved 400 of 400 residues in 455.1 ms (Link to these results)

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