A0A077ZH22_TRITR Loading...

ATP synthase subunit gamma

AlphaFold DB , UniProt , Accession A0A077ZH22, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 222 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
1M68.5Low83.7Confident42 Ų4282.4 Ų82.421%0.20742%0.422CS..  0-28.10-70-174.8178.300114.3T91 Y94 L123 P124 I125 L154 P155M1-T91 HydrophobicContact CE-CG2 3.25Å; M1-Y94 HydrophobicContact CG-CD1 4.47Å; M1-Y94 HydrophobicContact CG-CE1 4.26Å; M1-L123 HydrophobicContact CG-CD2 4.22Å; M1-L123 HydrophobicContact SD-CD2 4.35Å; M1-P124 WeakPolarHBondContact O-CA 3.47Å; M1-P124 WeakPolarHBondContact O-CB 3.34Å; M1-I125 PolarHBondContact O-N 3.18Å; M1-I125 VanDerWaalsContact O-N 3.1Å; M1-L154 HydrophobicContact CB-CB 4.21Å; M1-L154 HydrophobicContact CB-CD1 4.31Å; M1-L154 HydrophobicContact SD-CB 3.7Å; M1-P155 HydrophobicContact CE-CB 4Å; M1-P155 HydrophobicContact CE-CG 3.77Å; M1-P155 HydrophobicContact SD-CB 4.49Å; M1-P155 HydrophobicContact SD-CG 4.07Å; M1-P155 VanDerWaalsContact SD-N 3.44Å
2L71.5Confident84.8Confident86 Ų8675.9 Ų75.945%0.4539%0.389SS..  trans-98.1-19.6177.7-62.5174.2000114.4N4 I125 L128 L154L2-N4 PolarHBondContact O-N 3.31Å; L2-I125 HydrophobicContact CD2-CB 4.14Å; L2-L128 HydrophobicContact CD2-CD1 4.18Å; L2-L154 HydrophobicContact CD1-CD1 3.92Å; L2-L154 HydrophobicContact CD1-CD2 4.22Å; L2-L154 HydrophobicContact CD2-CD2 3.92Å; L2-L154 HydrophobicContact CG-CD1 3.91Å; L2-L154 HydrophobicContact CG-CD2 4.02Å
3L70.4Confident85.7Confident149 Ų14970.1 Ų70.178%0.7836%0.359SS*.  trans-77.9122.2-178.5-69.3170000110.5
4N73.6Confident86.5Confident127 Ų12765.1 Ų65.168%0.67933%0.334SS*.  trans-75.4128.8170.2-161.65.3000109.4L2L2-N4 PolarHBondContact O-N 3.31Å
5R84.2Confident87.2Confident57 Ų5761.2 Ų61.222%0.21531%0.314CS..  trans-124156.1178.166.6-176.9179.5-156.2-5.1109.6V7 Y94 F99 D100R5-V7 PolarHBondContact O-N 3.49Å; R5-Y94 PolarHBondContact NH2-O 3.49Å; R5-F99 PolarHBondContact NH2-O 3.14Å; R5-D100 WeakPolarHBondContact CD-OD1 3.45Å; R5-D100 HydrophobicContact CG-CB 4.06Å; R5-D100 IonicContact CZ-OD1 3.54Å; R5-D100 VanDerWaalsContact CZ-OD1 3.32Å; R5-D100 IonicContact NE-OD1 3.97Å; R5-D100 PolarHBondContact NE-OD1 3.27Å; R5-D100 IonicContact NH2-OD1 2.63Å
6P87.2Confident87.8Confident112 Ų11257.6 Ų57.673%0.72730%0.295SS*.  trans-55125.2176.5-24.334000110.8K8P6-K8 PolarHBondContact O-N 2.91Å
7V89Confident88.3Confident71 Ų7154.2 Ų54.243%0.4328%0.278SS..  trans-75.5114.2-176.6-172.80000109.2R5 D100 E101R5-V7 PolarHBondContact O-N 3.49Å; V7-D100 HydrophobicContact CB-CB 4.48Å; V7-D100 HydrophobicContact CG1-CB 4.33Å; V7-E101 HydrophobicContact CG1-CG 4.16Å; V7-E101 HydrophobicContact CG2-CG 3.7Å
8K90.9Very high88.6Confident170 Ų17053.3 Ų53.374%0.73927%0.274SS*.SBendtrans-105.3-34.6172.4-61.3179-179.3175.90111.5P6 D100P6-K8 PolarHBondContact O-N 2.91Å; K8-D100 WeakPolarHBondContact CA-OD2 3.25Å; K8-D100 WeakPolarHBondContact CB-OD2 3.37Å; K8-D100 PolarHBondContact N-OD2 2.96Å
9K94.4Very high88.7Confident82 Ų8252.5 Ų52.536%0.35728%0.28SS..  trans-140.1146.1174.9-67.1-168.5-174.7-153.10112.6D45 E46 F99 D100K9-D45 WeakPolarHBondContact CD-O 3.5Å; K9-D45 WeakPolarHBondContact CE-O 3.26Å; K9-D45 PolarHBondContact NZ-O 3.27Å; K9-D45 VanDerWaalsContact NZ-O 3.11Å; K9-E46 CarbonylContact C-O 3.51Å; K9-E46 WeakPolarHBondContact CA-O 3.27Å; K9-F99 HydrophobicContact CB-CB 4.26Å; K9-F99 CarbonylContact O-C 3.57Å; K9-F99 WeakPolarHBondContact O-CA 3.37Å; K9-F99 WeakPolarHBondContact O-CB 3.29Å; K9-D100 PolarHBondContact N-OD2 3.29Å; K9-D100 PolarHBondContact O-N 3.38Å
10T95.7Very high88.9Confident10 Ų1052.6 Ų52.66%0.06129%0.294CS..EExtended strand (participates in β ladder)trans-113.2127.1178.4-550000111.4Y12 E46 Y47 V48 E101 Y103T10-Y12 HydrophobicContact CG2-CD2 4.09Å; T10-Y12 HydrophobicContact CG2-CE1 4.1Å; T10-Y12 HydrophobicContact CG2-CE2 3.44Å; T10-Y12 VanDerWaalsContact CG2-CE2 3.44Å; T10-Y12 VanDerWaalsContact CG2-CZ 3.46Å; T10-E46 PolarHBondContact N-O 3Å; T10-Y47 CarbonylContact O-C 3.58Å; T10-Y47 WeakPolarHBondContact O-CA 3.36Å; T10-Y47 WeakPolarHBondContact O-CB 3.35Å; T10-V48 PolarHBondContact O-N 3.28Å; T10-E101 HydrophobicContact CG2-CB 4.4Å; T10-Y103 HydrophobicContact CG2-CD2 3.46Å; T10-Y103 VanDerWaalsContact CG2-CD2 3.46Å; T10-Y103 HydrophobicContact CG2-CE2 3.63Å
11G95.6Very high89.1Confident0 Ų056.6 Ų56.60%031%0.314CS..EExtended strand (participates in β ladder)trans-86.8135.6172.200000110.9V48 E101 L102 Y103G11-V48 CarbonylContact C-O 3.57Å; G11-V48 WeakPolarHBondContact CA-O 3.46Å; G11-E101 PolarHBondContact N-O 2.89Å; G11-L102 CarbonylContact O-C 3.54Å; G11-L102 WeakPolarHBondContact O-CA 3.45Å; G11-Y103 PolarHBondContact O-N 2.95Å
12Y96.6Very high90.3Very high5 Ų555.2 Ų55.22%0.0231%0.308CS..EExtended strand (participates in β ladder)trans-127.4124.5174.4-66.6-84.2000110.3T10 M36 L37 D40 H41 V48 L50 Y103T10-Y12 HydrophobicContact CG2-CD2 4.09Å; T10-Y12 HydrophobicContact CG2-CE1 4.1Å; T10-Y12 HydrophobicContact CG2-CE2 3.44Å; T10-Y12 VanDerWaalsContact CG2-CE2 3.44Å; T10-Y12 VanDerWaalsContact CG2-CZ 3.46Å; Y12-M36 HydrophobicContact CD1-CE 3.47Å; Y12-M36 VanDerWaalsContact CD1-CE 3.47Å; Y12-M36 HydrophobicContact CD1-SD 4.47Å; Y12-M36 HydrophobicContact CE1-CE 3.18Å; Y12-M36 HydrophobicContact CE1-SD 3.86Å; Y12-M36 HydrophobicContact CG-CE 4.29Å; Y12-L37 HydrophobicContact CD2-CD2 3.68Å; Y12-L37 HydrophobicContact CE2-CD2 3.55Å; Y12-L37 HydrophobicContact CG-CD2 4.31Å; Y12-D40 PolarHBondContact OH-OD2 3.45Å; Y12-H41 AromaticContact CE2-NE2 3.43Å; Y12-H41 WeakPolarHBondContact CE2-NE2 3.3Å; Y12-H41 AromaticContact CZ-NE2 3.62Å; Y12-H41 PolarHBondContact OH-NE2 2.91Å; Y12-V48 PolarHBondContact N-O 3.28Å; Y12-L50 PolarHBondContact O-N 3.1Å; Y12-Y103 CarbonylContact C-O 3.56Å; Y12-Y103 WeakPolarHBondContact CA-O 3.38Å; Y12-Y103 HydrophobicContact CD1-CD2 4.47Å; Y12-Y103 HydrophobicContact CD1-CG 4.43Å; Y12-Y103 HydrophobicContact CE1-CD2 4Å; Y12-Y103 HydrophobicContact CE1-CG 4.13Å
13I96.4Very high91.3Very high0 Ų053.8 Ų53.80%031%0.314CS..EExtended strand (participates in β ladder)trans-96.2120165.3-63.6168.9000107.4I15 L50 I52 T90 L102 Y103 V104 C105 I162I13-I15 HydrophobicContact CG2-CG1 4.12Å; I13-L50 CarbonylContact C-O 3.57Å; I13-L50 WeakPolarHBondContact CA-O 3.39Å; I13-L50 HydrophobicContact CG1-CB 4.15Å; I13-L50 HydrophobicContact CG1-CD1 4.42Å; I13-I52 HydrophobicContact CG2-CD1 3.7Å; I13-I52 HydrophobicContact CG2-CG1 3.98Å; I13-T90 HydrophobicContact CD1-CG2 3.98Å; I13-T90 HydrophobicContact CG1-CG2 4.48Å; I13-L102 HydrophobicContact CD1-CD1 4.17Å; I13-L102 HydrophobicContact CD1-CD2 4.26Å; I13-L102 HydrophobicContact CG1-CD1 4.09Å; I13-Y103 PolarHBondContact N-O 2.87Å; I13-V104 HydrophobicContact CB-CG1 4.46Å; I13-V104 HydrophobicContact CB-CG2 4.07Å; I13-V104 HydrophobicContact CD1-CG2 4.04Å; I13-V104 HydrophobicContact CG2-CG1 4.44Å; I13-V104 CarbonylContact O-C 3.5Å; I13-V104 WeakPolarHBondContact O-CA 3.22Å; I13-C105 PolarHBondContact O-N 3.41Å; I13-I162 HydrophobicContact CD1-CD1 4.19Å; I13-I162 HydrophobicContact CD1-CG1 4.49Å; I13-I162 HydrophobicContact CD1-CG2 4.08Å
14V97.3Very high92.4Very high1 Ų148.9 Ų48.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-107.3119.9177-171.70000109.3T16 I29 T33 L49 L50 I52 F60 C105V14-T16 HydrophobicContact CG1-CG2 4.21Å; V14-I29 HydrophobicContact CG1-CG1 3.98Å; V14-T33 HydrophobicContact CG1-CG2 4.43Å; V14-T33 HydrophobicContact CG2-CG2 3.71Å; V14-L49 HydrophobicContact CG2-CD1 3.5Å; V14-L49 HydrophobicContact CG2-CG 4.29Å; V14-L50 PolarHBondContact N-O 3.45Å; V14-I52 PolarHBondContact O-N 2.87Å; V14-F60 HydrophobicContact CB-CE2 3.93Å; V14-F60 HydrophobicContact CB-CZ 4.3Å; V14-F60 HydrophobicContact CG1-CE2 3.91Å; V14-F60 HydrophobicContact CG1-CZ 4.05Å; V14-F60 HydrophobicContact CG2-CE2 3.99Å; V14-F60 HydrophobicContact CG2-CZ 4Å; V14-C105 HydrophobicContact CG2-CB 4.36Å
15I97Very high93.4Very high6 Ų643.1 Ų43.13%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-100.5118.2-177.9-46.3-175.7000110I13 I52 V104 C105 A165 I166 A169I13-I15 HydrophobicContact CG2-CG1 4.12Å; I15-I52 HydrophobicContact CD1-CD1 4.42Å; I15-I52 HydrophobicContact CG1-CB 4.41Å; I15-I52 HydrophobicContact CG1-CD1 4.19Å; I15-I52 HydrophobicContact CG2-CB 4.27Å; I15-I52 HydrophobicContact CG2-CG2 4.22Å; I15-V104 HydrophobicContact CD1-CG1 3.62Å; I15-V104 HydrophobicContact CG1-CG1 4.05Å; I15-C105 PolarHBondContact N-O 3.39Å; I15-A165 HydrophobicContact CD1-CB 4.43Å; I15-I166 HydrophobicContact CD1-CB 4.41Å; I15-I166 HydrophobicContact CD1-CG1 3.71Å; I15-A169 HydrophobicContact CB-CB 4.12Å; I15-A169 HydrophobicContact CD1-CB 4.31Å; I15-A169 HydrophobicContact CG2-CB 3.57Å
16T97.2Very high94Very high3 Ų341 Ų412%0.01826%0.261CS..  trans-130170.3178.361.60000110.1V14 I29 L30 I52 G53 G56V14-T16 HydrophobicContact CG1-CG2 4.21Å; T16-I29 HydrophobicContact CG2-CG2 3.88Å; T16-L30 HydrophobicContact CG2-CD2 3.95Å; T16-L30 HydrophobicContact CG2-CG 4.23Å; T16-I52 PolarHBondContact N-O 3.48Å; T16-I52 PolarHBondContact OG1-O 3.34Å; T16-G53 PolarHBondContact OG1-O 3.5Å; T16-G56 WeakPolarHBondContact OG1-CA 3.45Å; T16-G56 PolarHBondContact OG1-N 3.23Å
17S95.9Very high94.3Very high0 Ų038.5 Ų38.50%025%0.246CC..  trans-79.9155.5171.664.50000111.4G19 N26 T55 E173S17-G19 PolarHBondContact OG-O 3.43Å; S17-N26 PolarHBondContact N-OD1 2.76Å; S17-N26 VanDerWaalsContact OG-CG 3.31Å; S17-N26 PolarHBondContact OG-ND2 3.23Å; S17-N26 PolarHBondContact OG-OD1 2.97Å; S17-N26 VanDerWaalsContact OG-OD1 3.09Å; S17-T55 WeakPolarHBondContact O-CB 3.4Å; S17-T55 PolarHBondContact O-N 2.98Å; S17-T55 VanDerWaalsContact O-N 3.12Å; S17-T55 PolarHBondContact O-OG1 2.9Å; S17-E173 WeakPolarHBondContact CB-OE1 3.43Å
18D94.3Very high94.6Very high39 Ų3937.1 Ų37.121%0.20924%0.239CC..SBendtrans-70.3-36.6172.8-78.2-60.2000112.7G53 G54 R72 N73 L74D18-G53 WeakPolarHBondContact OD1-CA 3.31Å; D18-G54 PolarHBondContact OD1-N 2.85Å; D18-R72 WeakPolarHBondContact OD1-CA 3.06Å; D18-N73 PolarHBondContact OD1-N 3.26Å; D18-N73 VanDerWaalsContact OD2-CA 3.31Å; D18-N73 WeakPolarHBondContact OD2-CA 3.41Å; D18-N73 PolarHBondContact OD2-N 3Å; D18-N73 VanDerWaalsContact OD2-N 3.16Å; D18-L74 PolarHBondContact OD2-N 3.45Å
19G90.4Very high94.8Very high38 Ų3829 Ų2939%0.39220%0.204SC..SBendtrans-115.2177.1-178.500000114.2S17 N26 T55S17-G19 PolarHBondContact OG-O 3.43Å; G19-N26 PolarHBondContact O-ND2 3.48Å; G19-T55 PolarHBondContact O-OG1 2.91Å
20G91.3Very high94.9Very high54 Ų5425.4 Ų25.456%0.55719%0.189SC*.SBendtrans-80.9-150.1172.300000112.9V22G20-V22 PolarHBondContact O-N 3.18Å; G20-V22 VanDerWaalsContact O-N 3.15Å
21L93.3Very high94.9Very high137 Ų13732 Ų3272%0.71722%0.217SC*.  trans64.415.9173.6-62-179.9000115.8M181L21-M181 HydrophobicContact CB-CE 3.43Å; L21-M181 VanDerWaalsContact CB-CE 3.43Å; L21-M181 HydrophobicContact CD1-CE 3.64Å; L21-M181 HydrophobicContact CD2-CE 3.72Å; L21-M181 HydrophobicContact CG-CE 3.75Å
22V94Very high94.9Very high12 Ų1235.7 Ų35.77%0.07323%0.234CC..SBendtrans-106.924.1178.9-67.30000112.8G20 G24 Y25 N26 E173G20-V22 PolarHBondContact O-N 3.18Å; G20-V22 VanDerWaalsContact O-N 3.15Å; V22-G24 PolarHBondContact O-N 3.47Å; V22-Y25 HydrophobicContact CB-CG 4.49Å; V22-Y25 HydrophobicContact CG2-CD1 4.08Å; V22-Y25 HydrophobicContact CG2-CG 4.38Å; V22-Y25 WeakPolarHBondContact O-CB 3.47Å; V22-Y25 PolarHBondContact O-N 3.29Å; V22-Y25 VanDerWaalsContact O-N 3.16Å; V22-N26 WeakPolarHBondContact CG2-ND2 3.34Å; V22-E173 HydrophobicContact CG1-CG 3.96Å
23G92.6Very high94.9Very high57 Ų5735.4 Ų35.459%0.58823%0.233SC*.THydrogen-bonded Turntrans56.3-127.8-17800000112.4Y25G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 2.89Å
24G92.9Very high94.7Very high45 Ų4537 Ų3746%0.46424%0.241SC..THydrogen-bonded Turntrans-80.6-3.7-179.100000115.5V22 N26 S27 S28V22-G24 PolarHBondContact O-N 3.47Å; G24-N26 PolarHBondContact O-N 3.38Å; G24-S27 PolarHBondContact O-N 2.89Å; G24-S27 VanDerWaalsContact O-N 3.16Å; G24-S27 PolarHBondContact O-OG 3.4Å; G24-S28 WeakPolarHBondContact O-CB 3.23Å; G24-S28 PolarHBondContact O-N 2.98Å
25Y95.2Very high94.6Very high6 Ų639.7 Ų39.72%0.02426%0.26CS..Hα-helixtrans-49.2-60.4-170.2176-98.1000113.1V22 G23 S27 S28 I29 N107 A169 A172 E173 A176V22-Y25 HydrophobicContact CB-CG 4.49Å; V22-Y25 HydrophobicContact CG2-CD1 4.08Å; V22-Y25 HydrophobicContact CG2-CG 4.38Å; V22-Y25 WeakPolarHBondContact O-CB 3.47Å; V22-Y25 PolarHBondContact O-N 3.29Å; V22-Y25 VanDerWaalsContact O-N 3.16Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 2.89Å; Y25-S27 PolarHBondContact O-N 3.21Å; Y25-S28 PolarHBondContact O-N 3.37Å; Y25-I29 WeakPolarHBondContact O-CG2 3.33Å; Y25-I29 PolarHBondContact O-N 3.39Å; Y25-N107 HydrophobicContact CD2-CB 4.12Å; Y25-N107 WeakPolarHBondContact CD2-ND2 3.45Å; Y25-N107 HydrophobicContact CE2-CB 3.56Å; Y25-N107 VanDerWaalsContact CE2-ND2 3.33Å; Y25-N107 WeakPolarHBondContact CE2-ND2 3.42Å; Y25-N107 PolarHBondContact O-ND2 2.88Å; Y25-N107 VanDerWaalsContact O-ND2 3.15Å; Y25-A169 PolarHBondContact OH-O 3.01Å; Y25-A169 VanDerWaalsContact OH-O 3.11Å; Y25-A172 HydrophobicContact CE2-CB 3.9Å; Y25-E173 HydrophobicContact CE1-CB 4.07Å; Y25-E173 HydrophobicContact CE1-CG 4.26Å; Y25-E173 HydrophobicContact CE2-CB 4.17Å; Y25-A176 HydrophobicContact CD2-CB 4.24Å; Y25-A176 HydrophobicContact CG-CB 4.4Å
26N96.4Very high94.5Very high14 Ų1440.5 Ų40.58%0.07526%0.264CS..Hα-helixtrans-65-40.6-179.9-68.3-37.7000112.6S17 G19 V22 G24 S28 I29 L30 T55S17-N26 PolarHBondContact N-OD1 2.76Å; S17-N26 VanDerWaalsContact OG-CG 3.31Å; S17-N26 PolarHBondContact OG-ND2 3.23Å; S17-N26 PolarHBondContact OG-OD1 2.97Å; S17-N26 VanDerWaalsContact OG-OD1 3.09Å; G19-N26 PolarHBondContact O-ND2 3.48Å; V22-N26 WeakPolarHBondContact CG2-ND2 3.34Å; G24-N26 PolarHBondContact O-N 3.38Å; N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.73Å; N26-I29 WeakPolarHBondContact O-CG2 3.47Å; N26-I29 PolarHBondContact O-N 2.79Å; N26-L30 HydrophobicContact CB-CD1 4.33Å; N26-L30 VanDerWaalsContact O-CB 3.28Å; N26-L30 WeakPolarHBondContact O-CB 3.33Å; N26-L30 WeakPolarHBondContact O-CD1 3.37Å; N26-L30 WeakPolarHBondContact O-CG 3.46Å; N26-L30 PolarHBondContact O-N 2.92Å; N26-T55 HydrophobicContact CB-CG2 3.88Å; N26-T55 PolarHBondContact ND2-OG1 2.86Å
27S94.7Very high94.4Very high58 Ų5840.6 Ų40.641%0.40626%0.264SS..Hα-helixtrans-65.2-34.2-177.8720000112.1G24 Y25 K31G24-S27 PolarHBondContact O-N 2.89Å; G24-S27 VanDerWaalsContact O-N 3.16Å; G24-S27 PolarHBondContact O-OG 3.4Å; Y25-S27 PolarHBondContact O-N 3.21Å; S27-K31 VanDerWaalsContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CB 3.27Å; S27-K31 WeakPolarHBondContact O-CG 3.27Å; S27-K31 PolarHBondContact O-N 3.34Å; S27-K31 VanDerWaalsContact O-N 3.1Å
28S93.8Very high94.2Very high42 Ų4247.2 Ų47.229%0.29430%0.295SS..Hα-helixtrans-67.1-52.1178.9-175.60000111.1G24 Y25 N26 Q32G24-S28 WeakPolarHBondContact O-CB 3.23Å; G24-S28 PolarHBondContact O-N 2.98Å; Y25-S28 PolarHBondContact O-N 3.37Å; N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.73Å; S28-Q32 WeakPolarHBondContact O-CB 3.49Å; S28-Q32 WeakPolarHBondContact O-CG 3.49Å; S28-Q32 PolarHBondContact O-N 3.35Å; S28-Q32 VanDerWaalsContact O-N 3.17Å; S28-Q32 PolarHBondContact O-NE2 3Å; S28-Q32 VanDerWaalsContact O-NE2 3.11Å; S28-Q32 PolarHBondContact OG-NE2 2.99Å
29I96Very high94.2Very high0 Ų051.3 Ų51.30%032%0.317CS..Hα-helixtrans-63.8-44.4-180179.261.8000111.3V14 T16 Y25 N26 T33 C105 F117V14-I29 HydrophobicContact CG1-CG1 3.98Å; T16-I29 HydrophobicContact CG2-CG2 3.88Å; Y25-I29 WeakPolarHBondContact O-CG2 3.33Å; Y25-I29 PolarHBondContact O-N 3.39Å; N26-I29 WeakPolarHBondContact O-CG2 3.47Å; N26-I29 PolarHBondContact O-N 2.79Å; I29-T33 VanDerWaalsContact O-CB 3.26Å; I29-T33 WeakPolarHBondContact O-CB 3.41Å; I29-T33 PolarHBondContact O-N 3.48Å; I29-T33 PolarHBondContact O-OG1 2.84Å; I29-C105 HydrophobicContact CD1-CB 4.04Å; I29-F117 HydrophobicContact CD1-CD2 3.35Å; I29-F117 HydrophobicContact CD1-CE2 3.34Å
30L96.4Very high94.4Very high7 Ų754.1 Ų54.14%0.03732%0.323CS..Hα-helixtrans-69.2-41.2-176.7-67.6169.2000112.9T16 N26 M34 T55 F59 F60T16-L30 HydrophobicContact CG2-CD2 3.95Å; T16-L30 HydrophobicContact CG2-CG 4.23Å; N26-L30 HydrophobicContact CB-CD1 4.33Å; N26-L30 VanDerWaalsContact O-CB 3.28Å; N26-L30 WeakPolarHBondContact O-CB 3.33Å; N26-L30 WeakPolarHBondContact O-CD1 3.37Å; N26-L30 WeakPolarHBondContact O-CG 3.46Å; N26-L30 PolarHBondContact O-N 2.92Å; L30-M34 WeakPolarHBondContact O-CB 3.38Å; L30-M34 VanDerWaalsContact O-CG 3.29Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.29Å; L30-T55 HydrophobicContact CD1-CG2 4.39Å; L30-F59 HydrophobicContact CB-CD1 4.22Å; L30-F59 HydrophobicContact CB-CD2 4.39Å; L30-F59 HydrophobicContact CB-CE1 4Å; L30-F59 HydrophobicContact CB-CE2 4.14Å; L30-F59 HydrophobicContact CB-CG 4.41Å; L30-F59 HydrophobicContact CB-CZ 3.95Å; L30-F59 HydrophobicContact CD1-CB 3.81Å; L30-F59 HydrophobicContact CD1-CD1 4.18Å; L30-F59 HydrophobicContact CD1-CD2 3.72Å; L30-F59 HydrophobicContact CD1-CE2 4.27Å; L30-F59 HydrophobicContact CD1-CG 3.66Å; L30-F59 HydrophobicContact CD2-CB 4.24Å; L30-F59 HydrophobicContact CD2-CD1 3.72Å; L30-F59 HydrophobicContact CD2-CE1 4.22Å; L30-F59 HydrophobicContact CD2-CG 4.02Å; L30-F59 HydrophobicContact CG-CD1 4.25Å; L30-F59 HydrophobicContact CG-CD2 4.49Å; L30-F59 HydrophobicContact CG-CG 4.23Å; L30-F60 HydrophobicContact CD2-CD2 4.49Å; L30-F60 HydrophobicContact CD2-CE1 4.39Å; L30-F60 HydrophobicContact CD2-CE2 3.71Å; L30-F60 HydrophobicContact CD2-CZ 3.65Å
31K95.3Very high94.5Very high148 Ų14852.7 Ų52.764%0.64330%0.302SS*.Hα-helixtrans-65.6-45177-75176.1-178.3-179.40111.9S27 M34 S35S27-K31 VanDerWaalsContact O-CB 3.29Å; S27-K31 WeakPolarHBondContact O-CB 3.27Å; S27-K31 WeakPolarHBondContact O-CG 3.27Å; S27-K31 PolarHBondContact O-N 3.34Å; S27-K31 VanDerWaalsContact O-N 3.1Å; K31-M34 PolarHBondContact O-N 3.01Å; K31-S35 PolarHBondContact O-N 3.03Å
32Q96Very high94.4Very high77 Ų7754.2 Ų54.236%0.3631%0.31SS..Hα-helixtrans-69-38.8-179.4-71.6176.686.900111.6S28 M34 S35 M36 F117S28-Q32 WeakPolarHBondContact O-CB 3.49Å; S28-Q32 WeakPolarHBondContact O-CG 3.49Å; S28-Q32 PolarHBondContact O-N 3.35Å; S28-Q32 VanDerWaalsContact O-N 3.17Å; S28-Q32 PolarHBondContact O-NE2 3Å; S28-Q32 VanDerWaalsContact O-NE2 3.11Å; S28-Q32 PolarHBondContact OG-NE2 2.99Å; Q32-M34 PolarHBondContact O-N 3.35Å; Q32-S35 PolarHBondContact O-N 3.43Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 PolarHBondContact O-N 3.32Å; Q32-F117 HydrophobicContact CB-CD1 3.69Å; Q32-F117 HydrophobicContact CB-CD2 4.02Å; Q32-F117 HydrophobicContact CB-CE1 3.65Å; Q32-F117 HydrophobicContact CB-CE2 3.99Å; Q32-F117 HydrophobicContact CB-CG 3.85Å; Q32-F117 HydrophobicContact CB-CZ 3.79Å; Q32-F117 VanDerWaalsContact CD-CB 3.45Å; Q32-F117 HydrophobicContact CG-CD1 4.2Å; Q32-F117 HydrophobicContact CG-CG 4.33Å; Q32-F117 VanDerWaalsContact NE2-CB 3.3Å
33T96Very high94.3Very high0 Ų056 Ų560%032%0.323CS..Hα-helixtrans-61.9-43.8173.4-55.40000111.3V14 I29 M36 L37 F60V14-T33 HydrophobicContact CG1-CG2 4.43Å; V14-T33 HydrophobicContact CG2-CG2 3.71Å; I29-T33 VanDerWaalsContact O-CB 3.26Å; I29-T33 WeakPolarHBondContact O-CB 3.41Å; I29-T33 PolarHBondContact O-N 3.48Å; I29-T33 PolarHBondContact O-OG1 2.84Å; T33-M36 HydrophobicContact CG2-CE 4.23Å; T33-M36 PolarHBondContact O-N 3.48Å; T33-L37 HydrophobicContact CG2-CD1 4.11Å; T33-L37 HydrophobicContact CG2-CG 4.39Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.4Å; T33-L37 PolarHBondContact O-N 3.2Å; T33-F60 HydrophobicContact CG2-CZ 4.14Å
34M93.6Very high94.1Very high34 Ų3456.5 Ų56.517%0.16732%0.322CS..Hα-helixtrans-63-45.2176.9-75.3-64-5100112.4L30 K31 Q32 M36 L37 E38 F59 F60L30-M34 WeakPolarHBondContact O-CB 3.38Å; L30-M34 VanDerWaalsContact O-CG 3.29Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.29Å; K31-M34 PolarHBondContact O-N 3.01Å; Q32-M34 PolarHBondContact O-N 3.35Å; M34-M36 VanDerWaalsContact C-N 3.33Å; M34-M36 PolarHBondContact O-N 2.93Å; M34-L37 PolarHBondContact O-N 3.43Å; M34-E38 WeakPolarHBondContact O-CG 3.33Å; M34-E38 PolarHBondContact O-N 3.08Å; M34-F59 HydrophobicContact CG-CE1 3.75Å; M34-F59 HydrophobicContact CG-CZ 4.1Å; M34-F59 HydrophobicContact SD-CE1 4.16Å; M34-F60 HydrophobicContact SD-CD1 4.31Å; M34-F60 HydrophobicContact SD-CE1 4Å
35S94.8Very high94.1Very high57 Ų5759.8 Ų59.840%0.39933%0.329SS..Hα-helixtrans-58.2-47.5176.1-167.50000111K31 Q32 L37 E38 D39K31-S35 PolarHBondContact O-N 3.03Å; Q32-S35 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.41Å; S35-E38 PolarHBondContact O-N 2.8Å; S35-D39 WeakPolarHBondContact O-CB 3.45Å; S35-D39 PolarHBondContact O-N 3.32Å; S35-D39 PolarHBondContact OG-OD2 2.97Å
36M94.7Very high94Very high23 Ų2362.9 Ų62.911%0.11334%0.344CS..Hα-helixtrans-60.1-43.2177.1177.7-159.672.800111.8Y12 Q32 T33 M34 E38 D39 D40 V119Y12-M36 HydrophobicContact CD1-CE 3.47Å; Y12-M36 VanDerWaalsContact CD1-CE 3.47Å; Y12-M36 HydrophobicContact CD1-SD 4.47Å; Y12-M36 HydrophobicContact CE1-CE 3.18Å; Y12-M36 HydrophobicContact CE1-SD 3.86Å; Y12-M36 HydrophobicContact CG-CE 4.29Å; Q32-M36 WeakPolarHBondContact O-CB 3.41Å; Q32-M36 PolarHBondContact O-N 3.32Å; T33-M36 HydrophobicContact CG2-CE 4.23Å; T33-M36 PolarHBondContact O-N 3.48Å; M34-M36 VanDerWaalsContact C-N 3.33Å; M34-M36 PolarHBondContact O-N 2.93Å; M36-E38 VanDerWaalsContact C-N 3.32Å; M36-E38 PolarHBondContact O-N 3.35Å; M36-D39 PolarHBondContact O-N 2.74Å; M36-D40 VanDerWaalsContact CG-OD2 3.28Å; M36-D40 WeakPolarHBondContact CG-OD2 3.37Å; M36-D40 WeakPolarHBondContact O-CB 3.38Å; M36-D40 VanDerWaalsContact O-CG 3.26Å; M36-D40 PolarHBondContact O-N 2.88Å; M36-V119 HydrophobicContact SD-CB 4.44Å; M36-V119 HydrophobicContact SD-CG1 3.88Å; M36-V119 HydrophobicContact SD-CG2 3.75Å
37L94.5Very high93.9Very high5 Ų563.9 Ų63.93%0.02635%0.347CS..Hα-helixtrans-65.7-34.1177.7-70.7174000112.8Y12 T33 M34 S35 H41 Y47 L49Y12-L37 HydrophobicContact CD2-CD2 3.68Å; Y12-L37 HydrophobicContact CE2-CD2 3.55Å; Y12-L37 HydrophobicContact CG-CD2 4.31Å; T33-L37 HydrophobicContact CG2-CD1 4.11Å; T33-L37 HydrophobicContact CG2-CG 4.39Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.4Å; T33-L37 PolarHBondContact O-N 3.2Å; M34-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact C-N 3.35Å; S35-L37 PolarHBondContact O-N 3.41Å; L37-H41 PolarHBondContact O-N 3.08Å; L37-Y47 HydrophobicContact CD1-CE2 4.04Å; L37-Y47 HydrophobicContact CD2-CD1 4.09Å; L37-Y47 HydrophobicContact CD2-CD2 3.94Å; L37-Y47 HydrophobicContact CD2-CE1 4.28Å; L37-Y47 HydrophobicContact CD2-CE2 4.17Å; L37-Y47 HydrophobicContact CD2-CG 3.91Å; L37-L49 HydrophobicContact CD1-CD1 4.4Å
38E92.8Very high93.9Very high138 Ų13862.1 Ų62.165%0.64533%0.333SS*.Hα-helixtrans-73.5-33.2175.5-72.7172.3-168.300112.4M34 S35 M36M34-E38 WeakPolarHBondContact O-CG 3.33Å; M34-E38 PolarHBondContact O-N 3.08Å; S35-E38 PolarHBondContact O-N 2.8Å; M36-E38 VanDerWaalsContact C-N 3.32Å; M36-E38 PolarHBondContact O-N 3.35Å
39D94.6Very high94Very high126 Ų12660.1 Ų60.167%0.67432%0.319SS*.Hα-helixtrans-79.7-35.7179.1-67.9-33.4000112.3S35 M36S35-D39 WeakPolarHBondContact O-CB 3.45Å; S35-D39 PolarHBondContact O-N 3.32Å; S35-D39 PolarHBondContact OG-OD2 2.97Å; M36-D39 PolarHBondContact O-N 2.74Å
40D93.4Very high94Very high97 Ų9760.1 Ų60.152%0.51932%0.319SS..Hα-helixtrans-89.7-22.6-173.2-71.2-12.8000114.1Y12 M36Y12-D40 PolarHBondContact OH-OD2 3.45Å; M36-D40 VanDerWaalsContact CG-OD2 3.28Å; M36-D40 WeakPolarHBondContact CG-OD2 3.37Å; M36-D40 WeakPolarHBondContact O-CB 3.38Å; M36-D40 VanDerWaalsContact O-CG 3.26Å; M36-D40 PolarHBondContact O-N 2.88Å
41H93.6Very high94Very high24 Ų2459.8 Ų59.811%0.11132%0.318CS..  trans-134.4135.6-171.3-56.8-84.8000112.5Y12 L37 E46 Y47Y12-H41 AromaticContact CE2-NE2 3.43Å; Y12-H41 WeakPolarHBondContact CE2-NE2 3.3Å; Y12-H41 AromaticContact CZ-NE2 3.62Å; Y12-H41 PolarHBondContact OH-NE2 2.91Å; L37-H41 PolarHBondContact O-N 3.08Å; H41-E46 WeakPolarHBondContact CA-OE2 3.27Å; H41-E46 HydrophobicContact CB-CB 4.24Å; H41-E46 WeakPolarHBondContact ND1-CB 3.49Å; H41-E46 IonicContact ND1-OE2 2.63Å; H41-Y47 HydrophobicContact CB-CD1 4.02Å; H41-Y47 HydrophobicContact CB-CE1 4.47Å; H41-Y47 AromaticContact CD2-CD1 3.95Å; H41-Y47 AromaticContact CG-CD1 3.78Å
42D90.9Very high94Very high168 Ų16852.9 Ų52.990%0.89829%0.287SS*.SBendtrans-82.3-21.9174.9-75.5-42.4000111.6E46D42-E46 PolarHBondContact N-OE2 3.15Å
43S91.6Very high93.9Very high50 Ų5049.2 Ų49.235%0.3527%0.27SS..SBendtrans-142.2146.8-175.1179.60000113.2D45 E46S43-D45 PolarHBondContact O-N 3.5Å; S43-D45 VanDerWaalsContact O-N 3.08Å; S43-D45 PolarHBondContact OG-N 3.38Å; S43-E46 PolarHBondContact N-OE2 2.94Å; S43-E46 WeakPolarHBondContact O-CB 3.47Å; S43-E46 PolarHBondContact O-N 3Å; S43-E46 VanDerWaalsContact O-N 3.12Å
44A89.9Confident93.9Very high67 Ų6749.4 Ų49.455%0.55427%0.273SS*.THydrogen-bonded Turntrans-64.5-10.4173.300000114.3E46 Y47A44-E46 VanDerWaalsContact C-N 3.34Å; A44-Y47 HydrophobicContact CB-CE1 4.35Å
45D91.1Very high94Very high114 Ų11449.7 Ų49.761%0.6128%0.276SS*.THydrogen-bonded Turntrans-82.1-13.2175.8-70.6-34.8000113.4K9 S43K9-D45 WeakPolarHBondContact CD-O 3.5Å; K9-D45 WeakPolarHBondContact CE-O 3.26Å; K9-D45 PolarHBondContact NZ-O 3.27Å; K9-D45 VanDerWaalsContact NZ-O 3.11Å; S43-D45 PolarHBondContact O-N 3.5Å; S43-D45 VanDerWaalsContact O-N 3.08Å; S43-D45 PolarHBondContact OG-N 3.38Å
46E93.3Very high94.1Very high72 Ų7247 Ų4734%0.33626%0.258SS..SBendtrans-86.1-10.7-177.5-62.9176.9169.100112.7K9 T10 H41 D42 S43 A44K9-E46 CarbonylContact C-O 3.51Å; K9-E46 WeakPolarHBondContact CA-O 3.27Å; T10-E46 PolarHBondContact N-O 3Å; H41-E46 WeakPolarHBondContact CA-OE2 3.27Å; H41-E46 HydrophobicContact CB-CB 4.24Å; H41-E46 WeakPolarHBondContact ND1-CB 3.49Å; H41-E46 IonicContact ND1-OE2 2.63Å; D42-E46 PolarHBondContact N-OE2 3.15Å; S43-E46 PolarHBondContact N-OE2 2.94Å; S43-E46 WeakPolarHBondContact O-CB 3.47Å; S43-E46 PolarHBondContact O-N 3Å; S43-E46 VanDerWaalsContact O-N 3.12Å; A44-E46 VanDerWaalsContact C-N 3.34Å
47Y95.3Very high94.2Very high35 Ų3546 Ų4614%0.13725%0.253CS..EExtended strand (participates in β ladder)trans-133.8158.7176.768.2-94.6000113.9T10 L37 H41 A44 L49 V65T10-Y47 CarbonylContact O-C 3.58Å; T10-Y47 WeakPolarHBondContact O-CA 3.36Å; T10-Y47 WeakPolarHBondContact O-CB 3.35Å; L37-Y47 HydrophobicContact CD1-CE2 4.04Å; L37-Y47 HydrophobicContact CD2-CD1 4.09Å; L37-Y47 HydrophobicContact CD2-CD2 3.94Å; L37-Y47 HydrophobicContact CD2-CE1 4.28Å; L37-Y47 HydrophobicContact CD2-CE2 4.17Å; L37-Y47 HydrophobicContact CD2-CG 3.91Å; H41-Y47 HydrophobicContact CB-CD1 4.02Å; H41-Y47 HydrophobicContact CB-CE1 4.47Å; H41-Y47 AromaticContact CD2-CD1 3.95Å; H41-Y47 AromaticContact CG-CD1 3.78Å; A44-Y47 HydrophobicContact CB-CE1 4.35Å; Y47-L49 HydrophobicContact CD2-CB 4.46Å; Y47-L49 HydrophobicContact CE2-CB 4.48Å; Y47-V65 HydrophobicContact CE2-CG1 4.13Å
48V94.8Very high94.3Very high20 Ų2049.7 Ų49.712%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-125.4123175.1-179.90000108.3T10 G11 Y12 L50 A68 V98 F99T10-V48 PolarHBondContact O-N 3.28Å; G11-V48 CarbonylContact C-O 3.57Å; G11-V48 WeakPolarHBondContact CA-O 3.46Å; Y12-V48 PolarHBondContact N-O 3.28Å; V48-L50 HydrophobicContact CG1-CD1 4.44Å; V48-A68 HydrophobicContact CG1-CB 3.39Å; V48-V98 HydrophobicContact CG2-CG1 4.22Å; V48-F99 HydrophobicContact CB-CD1 4.36Å
49L95.7Very high94.5Very high1 Ų145.2 Ų45.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-105.8131.4-175.3-160.869.4000111.2V14 L37 Y47 F60 V65 L67 A68V14-L49 HydrophobicContact CG2-CD1 3.5Å; V14-L49 HydrophobicContact CG2-CG 4.29Å; L37-L49 HydrophobicContact CD1-CD1 4.4Å; Y47-L49 HydrophobicContact CD2-CB 4.46Å; Y47-L49 HydrophobicContact CE2-CB 4.48Å; L49-F60 HydrophobicContact CD2-CB 4.14Å; L49-F60 HydrophobicContact CD2-CD1 3.49Å; L49-F60 VanDerWaalsContact CD2-CD1 3.49Å; L49-F60 HydrophobicContact CD2-CD2 3.57Å; L49-F60 HydrophobicContact CD2-CE1 3.68Å; L49-F60 HydrophobicContact CD2-CE2 3.76Å; L49-F60 HydrophobicContact CD2-CG 3.45Å; L49-F60 VanDerWaalsContact CD2-CG 3.45Å; L49-F60 HydrophobicContact CD2-CZ 3.82Å; L49-V65 HydrophobicContact CB-CG1 4.38Å; L49-V65 HydrophobicContact CD2-CG1 3.71Å; L49-L67 HydrophobicContact CB-CD2 3.95Å; L49-L67 HydrophobicContact CD2-CD2 3.68Å; L49-L67 HydrophobicContact CG-CD2 3.83Å; L49-L67 CarbonylContact O-C 3.56Å; L49-L67 WeakPolarHBondContact O-CA 3.22Å; L49-A68 PolarHBondContact O-N 2.9Å
50L95.5Very high94.5Very high0 Ų039.2 Ų39.20%022%0.219CC..EExtended strand (participates in β ladder)trans-117.4131.8170.8-60.990.9000108.2Y12 I13 V14 V48 Y69 I86 M89 T90 M93Y12-L50 PolarHBondContact O-N 3.1Å; I13-L50 CarbonylContact C-O 3.57Å; I13-L50 WeakPolarHBondContact CA-O 3.39Å; I13-L50 HydrophobicContact CG1-CB 4.15Å; I13-L50 HydrophobicContact CG1-CD1 4.42Å; V14-L50 PolarHBondContact N-O 3.45Å; V48-L50 HydrophobicContact CG1-CD1 4.44Å; L50-Y69 WeakPolarHBondContact CA-O 3.31Å; L50-I86 HydrophobicContact CD2-CG1 4.35Å; L50-M89 HydrophobicContact CD2-CE 3.49Å; L50-M89 VanDerWaalsContact CD2-CE 3.49Å; L50-T90 HydrophobicContact CD2-CG2 4.49Å; L50-T90 WeakPolarHBondContact CD2-OG1 3.4Å; L50-M93 HydrophobicContact CD2-SD 4.43Å
51A96Very high94.6Very high0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-108.5129.9179.900000111A57 L67 Y69 E70 L71A51-A57 HydrophobicContact CB-CB 3.92Å; A51-L67 HydrophobicContact CB-CD1 3.97Å; A51-L67 HydrophobicContact CB-CD2 4.09Å; A51-Y69 PolarHBondContact N-O 3.41Å; A51-E70 CarbonylContact O-C 3.56Å; A51-E70 VanDerWaalsContact O-CA 3.29Å; A51-E70 WeakPolarHBondContact O-CA 3.32Å; A51-L71 PolarHBondContact O-N 3.45Å
52I95.5Very high94.7Very high2 Ų242.4 Ų42.41%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-106.7122.6163.7-57.4-178.6000106.9I13 V14 I15 T16 L74 I86 I166I13-I52 HydrophobicContact CG2-CD1 3.7Å; I13-I52 HydrophobicContact CG2-CG1 3.98Å; V14-I52 PolarHBondContact O-N 2.87Å; I15-I52 HydrophobicContact CD1-CD1 4.42Å; I15-I52 HydrophobicContact CG1-CB 4.41Å; I15-I52 HydrophobicContact CG1-CD1 4.19Å; I15-I52 HydrophobicContact CG2-CB 4.27Å; I15-I52 HydrophobicContact CG2-CG2 4.22Å; T16-I52 PolarHBondContact N-O 3.48Å; T16-I52 PolarHBondContact OG1-O 3.34Å; I52-L74 HydrophobicContact CG2-CD2 4.14Å; I52-I86 HydrophobicContact CD1-CD1 3.8Å; I52-I86 HydrophobicContact CD1-CG2 4.36Å; I52-I86 HydrophobicContact CG1-CD1 3.46Å; I52-I86 VanDerWaalsContact CG1-CD1 3.46Å; I52-I166 HydrophobicContact CD1-CD1 3.66Å; I52-I166 HydrophobicContact CD1-CG1 3.8Å
53G94.8Very high94.8Very high0 Ų041 Ų410%023%0.226CC..SBendtrans101137.1-176.100000113.5T16 D18 T55 A57 L71T16-G53 PolarHBondContact OG1-O 3.5Å; D18-G53 WeakPolarHBondContact OD1-CA 3.31Å; G53-T55 PolarHBondContact O-N 2.93Å; G53-A57 WeakPolarHBondContact O-CB 3.38Å; G53-A57 PolarHBondContact O-N 3.05Å; G53-L71 PolarHBondContact N-O 3.09Å
54G95.5Very high94.7Very high5 Ų541.6 Ų41.65%0.05224%0.24CC..Hα-helixtrans-56.5-41176.700000114.3D18 G56 A57 D58D18-G54 PolarHBondContact OD1-N 2.85Å; G54-G56 PolarHBondContact O-N 2.94Å; G54-A57 PolarHBondContact O-N 3.47Å; G54-D58 WeakPolarHBondContact O-CB 3.39Å; G54-D58 PolarHBondContact O-N 3.44Å
55T96.2Very high94.8Very high40 Ų4039.5 Ų39.525%0.24522%0.221CC..Hα-helixtrans-62.6-47.4-176.3-54.70000111.9S17 G19 N26 L30 G53 F59S17-T55 WeakPolarHBondContact O-CB 3.4Å; S17-T55 PolarHBondContact O-N 2.98Å; S17-T55 VanDerWaalsContact O-N 3.12Å; S17-T55 PolarHBondContact O-OG1 2.9Å; G19-T55 PolarHBondContact O-OG1 2.91Å; N26-T55 HydrophobicContact CB-CG2 3.88Å; N26-T55 PolarHBondContact ND2-OG1 2.86Å; L30-T55 HydrophobicContact CD1-CG2 4.39Å; G53-T55 PolarHBondContact O-N 2.93Å; T55-F59 VanDerWaalsContact O-CB 3.29Å; T55-F59 WeakPolarHBondContact O-CB 3.45Å; T55-F59 PolarHBondContact O-N 3.31Å
56G96.4Very high94.7Very high1 Ų142.9 Ų42.91%0.0123%0.23CC..Hα-helixtrans-67.7-42.6178.300000112T16 G54 D58 F59 F60T16-G56 WeakPolarHBondContact OG1-CA 3.45Å; T16-G56 PolarHBondContact OG1-N 3.23Å; G54-G56 PolarHBondContact O-N 2.94Å; G56-D58 VanDerWaalsContact C-N 3.33Å; G56-D58 PolarHBondContact O-N 2.94Å; G56-F59 WeakPolarHBondContact O-CB 3.31Å; G56-F59 PolarHBondContact O-N 3.09Å; G56-F60 WeakPolarHBondContact O-CD2 3.42Å; G56-F60 PolarHBondContact O-N 3.13Å
57A96.2Very high94.8Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-58.3-45.5178.100000112.3A51 G53 G54 K61 L67 E70A51-A57 HydrophobicContact CB-CB 3.92Å; G53-A57 WeakPolarHBondContact O-CB 3.38Å; G53-A57 PolarHBondContact O-N 3.05Å; G54-A57 PolarHBondContact O-N 3.47Å; A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 VanDerWaalsContact O-CG 3.25Å; A57-K61 WeakPolarHBondContact O-CG 3.46Å; A57-K61 PolarHBondContact O-N 2.96Å; A57-K61 VanDerWaalsContact O-N 3.13Å; A57-L67 HydrophobicContact CB-CD1 4.05Å; A57-E70 HydrophobicContact CB-CB 4.08Å; A57-E70 WeakPolarHBondContact CB-OE2 3.38Å
58D96.6Very high94.7Very high84 Ų8441.5 Ų41.545%0.44923%0.234SC..Hα-helixtrans-67.3-40176.8-68.8-24.2000111.8G54 G56 F60 A62 R72G54-D58 WeakPolarHBondContact O-CB 3.39Å; G54-D58 PolarHBondContact O-N 3.44Å; G56-D58 VanDerWaalsContact C-N 3.33Å; G56-D58 PolarHBondContact O-N 2.94Å; D58-F60 PolarHBondContact O-N 2.93Å; D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 3.49Å; D58-R72 IonicContact OD1-CZ 3.22Å; D58-R72 VanDerWaalsContact OD1-CZ 3.25Å; D58-R72 IonicContact OD1-NH1 3.25Å; D58-R72 PolarHBondContact OD1-NH1 3.43Å; D58-R72 IonicContact OD1-NH2 4Å; D58-R72 PolarHBondContact OD1-NH2 2.93Å; D58-R72 IonicContact OD2-NH1 3.39Å; D58-R72 PolarHBondContact OD2-NH1 3.49Å
59F96.8Very high94.6Very high44 Ų4443.7 Ų43.719%0.19324%0.24CC..Hα-helixtrans-60.2-45.7178.3176.2-85.9000113.1L30 M34 T55 G56 R63L30-F59 HydrophobicContact CB-CD1 4.22Å; L30-F59 HydrophobicContact CB-CD2 4.39Å; L30-F59 HydrophobicContact CB-CE1 4Å; L30-F59 HydrophobicContact CB-CE2 4.14Å; L30-F59 HydrophobicContact CB-CG 4.41Å; L30-F59 HydrophobicContact CB-CZ 3.95Å; L30-F59 HydrophobicContact CD1-CB 3.81Å; L30-F59 HydrophobicContact CD1-CD1 4.18Å; L30-F59 HydrophobicContact CD1-CD2 3.72Å; L30-F59 HydrophobicContact CD1-CE2 4.27Å; L30-F59 HydrophobicContact CD1-CG 3.66Å; L30-F59 HydrophobicContact CD2-CB 4.24Å; L30-F59 HydrophobicContact CD2-CD1 3.72Å; L30-F59 HydrophobicContact CD2-CE1 4.22Å; L30-F59 HydrophobicContact CD2-CG 4.02Å; L30-F59 HydrophobicContact CG-CD1 4.25Å; L30-F59 HydrophobicContact CG-CD2 4.49Å; L30-F59 HydrophobicContact CG-CG 4.23Å; M34-F59 HydrophobicContact CG-CE1 3.75Å; M34-F59 HydrophobicContact CG-CZ 4.1Å; M34-F59 HydrophobicContact SD-CE1 4.16Å; T55-F59 VanDerWaalsContact O-CB 3.29Å; T55-F59 WeakPolarHBondContact O-CB 3.45Å; T55-F59 PolarHBondContact O-N 3.31Å; G56-F59 WeakPolarHBondContact O-CB 3.31Å; G56-F59 PolarHBondContact O-N 3.09Å; F59-R63 PolarHBondContact O-NH1 2.93Å
60F95.6Very high94.5Very high0 Ų046.9 Ų46.90%026%0.255CS..Hα-helixtrans-72.1-43.1-179-70.5-56.8000111.7V14 L30 T33 M34 L49 G56 D58 A62 R63 G64 V65 L67V14-F60 HydrophobicContact CB-CE2 3.93Å; V14-F60 HydrophobicContact CB-CZ 4.3Å; V14-F60 HydrophobicContact CG1-CE2 3.91Å; V14-F60 HydrophobicContact CG1-CZ 4.05Å; V14-F60 HydrophobicContact CG2-CE2 3.99Å; V14-F60 HydrophobicContact CG2-CZ 4Å; L30-F60 HydrophobicContact CD2-CD2 4.49Å; L30-F60 HydrophobicContact CD2-CE1 4.39Å; L30-F60 HydrophobicContact CD2-CE2 3.71Å; L30-F60 HydrophobicContact CD2-CZ 3.65Å; T33-F60 HydrophobicContact CG2-CZ 4.14Å; M34-F60 HydrophobicContact SD-CD1 4.31Å; M34-F60 HydrophobicContact SD-CE1 4Å; L49-F60 HydrophobicContact CD2-CB 4.14Å; L49-F60 HydrophobicContact CD2-CD1 3.49Å; L49-F60 VanDerWaalsContact CD2-CD1 3.49Å; L49-F60 HydrophobicContact CD2-CD2 3.57Å; L49-F60 HydrophobicContact CD2-CE1 3.68Å; L49-F60 HydrophobicContact CD2-CE2 3.76Å; L49-F60 HydrophobicContact CD2-CG 3.45Å; L49-F60 VanDerWaalsContact CD2-CG 3.45Å; L49-F60 HydrophobicContact CD2-CZ 3.82Å; G56-F60 WeakPolarHBondContact O-CD2 3.42Å; G56-F60 PolarHBondContact O-N 3.13Å; D58-F60 PolarHBondContact O-N 2.93Å; F60-A62 VanDerWaalsContact C-N 3.32Å; F60-A62 PolarHBondContact O-N 3.38Å; F60-R63 PolarHBondContact O-N 3.1Å; F60-G64 PolarHBondContact O-N 3.26Å; F60-V65 HydrophobicContact CB-CB 4.11Å; F60-V65 HydrophobicContact CD1-CG2 4.48Å; F60-V65 PolarHBondContact O-N 3.44Å; F60-V65 VanDerWaalsContact O-N 3.09Å; F60-L67 HydrophobicContact CB-CD1 4.48Å; F60-L67 HydrophobicContact CB-CD2 3.98Å; F60-L67 HydrophobicContact CB-CG 4.39Å; F60-L67 HydrophobicContact CD2-CD2 4.19Å; F60-L67 HydrophobicContact CG-CD2 4.35Å
61K95.3Very high94.3Very high100 Ų10048.1 Ų48.144%0.43526%0.261SS..Hα-helixtrans-59.5-41.5175.3-76.2174.7173.3179.10112.2A57 R63 G64 L67 E70A57-K61 WeakPolarHBondContact O-CB 3.43Å; A57-K61 VanDerWaalsContact O-CG 3.25Å; A57-K61 WeakPolarHBondContact O-CG 3.46Å; A57-K61 PolarHBondContact O-N 2.96Å; A57-K61 VanDerWaalsContact O-N 3.13Å; K61-R63 PolarHBondContact O-N 3.37Å; K61-G64 PolarHBondContact O-N 3.09Å; K61-L67 HydrophobicContact CD-CD1 4.48Å; K61-L67 HydrophobicContact CG-CD1 4.06Å; K61-E70 WeakPolarHBondContact CE-OE2 3.31Å; K61-E70 IonicContact NZ-OE1 3.35Å; K61-E70 PolarHBondContact NZ-OE1 3.34Å; K61-E70 IonicContact NZ-OE2 2.69Å; K61-E70 PolarHBondContact NZ-OE2 2.94Å
62A95.7Very high94.2Very high87 Ų8752.2 Ų52.272%0.71928%0.277SS*.Hα-helixtrans-62.3-21.2177.200000113.5D58 F60D58-A62 VanDerWaalsContact O-CB 3.29Å; D58-A62 WeakPolarHBondContact O-CB 3.48Å; D58-A62 PolarHBondContact O-N 3.49Å; F60-A62 VanDerWaalsContact C-N 3.32Å; F60-A62 PolarHBondContact O-N 3.38Å
63R92.7Very high94.1Very high138 Ų13859 Ų5952%0.52131%0.313SS..THydrogen-bonded Turntrans-97.44.7175.8-74.2173.3174.967.13.5113.7F59 F60 K61 V65F59-R63 PolarHBondContact O-NH1 2.93Å; F60-R63 PolarHBondContact O-N 3.1Å; K61-R63 PolarHBondContact O-N 3.37Å; R63-V65 VanDerWaalsContact C-N 3.27Å; R63-V65 HydrophobicContact CB-CG2 4.33Å; R63-V65 PolarHBondContact O-N 3.41Å
64G90.8Very high93.9Very high63 Ų6359.6 Ų59.665%0.64932%0.316SS*.THydrogen-bonded Turntrans75.112.1-178.700000114.5F60 K61F60-G64 PolarHBondContact O-N 3.26Å; K61-G64 PolarHBondContact O-N 3.09Å
65V91.1Very high93.7Very high23 Ų2361.4 Ų61.414%0.13933%0.328CS..  trans-74128.2174.7-178.60000109Y47 L49 F60 R63 L67Y47-V65 HydrophobicContact CE2-CG1 4.13Å; L49-V65 HydrophobicContact CB-CG1 4.38Å; L49-V65 HydrophobicContact CD2-CG1 3.71Å; F60-V65 HydrophobicContact CB-CB 4.11Å; F60-V65 HydrophobicContact CD1-CG2 4.48Å; F60-V65 PolarHBondContact O-N 3.44Å; F60-V65 VanDerWaalsContact O-N 3.09Å; R63-V65 VanDerWaalsContact C-N 3.27Å; R63-V65 HydrophobicContact CB-CG2 4.33Å; R63-V65 PolarHBondContact O-N 3.41Å; V65-L67 PolarHBondContact O-N 3.5Å
66K90.1Very high93.4Very high185 Ų18564.6 Ų64.680%0.80434%0.343SS*.  trans-81113.1179.6-67.3178.7-175.6168.80110
67L94.1Very high93.2Very high34 Ų3472.9 Ų72.918%0.17838%0.382CS..EExtended strand (participates in β ladder)trans-82.6128.5172-61.1175.6000109.9L49 A51 A57 F60 K61 V65 Y69 E70L49-L67 HydrophobicContact CB-CD2 3.95Å; L49-L67 HydrophobicContact CD2-CD2 3.68Å; L49-L67 HydrophobicContact CG-CD2 3.83Å; L49-L67 CarbonylContact O-C 3.56Å; L49-L67 WeakPolarHBondContact O-CA 3.22Å; A51-L67 HydrophobicContact CB-CD1 3.97Å; A51-L67 HydrophobicContact CB-CD2 4.09Å; A57-L67 HydrophobicContact CB-CD1 4.05Å; F60-L67 HydrophobicContact CB-CD1 4.48Å; F60-L67 HydrophobicContact CB-CD2 3.98Å; F60-L67 HydrophobicContact CB-CG 4.39Å; F60-L67 HydrophobicContact CD2-CD2 4.19Å; F60-L67 HydrophobicContact CG-CD2 4.35Å; K61-L67 HydrophobicContact CD-CD1 4.48Å; K61-L67 HydrophobicContact CG-CD1 4.06Å; V65-L67 PolarHBondContact O-N 3.5Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-E70 HydrophobicContact CD1-CB 4.48Å
68A92.9Very high93Very high45 Ų4573.3 Ų73.337%0.37239%0.385SS..EExtended strand (participates in β ladder)trans-72.5-28.7170.700000111.9V48 L49 M93V48-A68 HydrophobicContact CG1-CB 3.39Å; L49-A68 PolarHBondContact O-N 2.9Å; A68-M93 HydrophobicContact CB-CE 4.14Å; A68-M93 HydrophobicContact CB-SD 4.48Å
69Y92.6Very high92.8Very high66 Ų6671.6 Ų71.626%0.25938%0.379SS..EExtended strand (participates in β ladder)trans-157.7152.4175.8-170.3-100.2000111.3L50 A51 L67 L71 I86 M89L50-Y69 WeakPolarHBondContact CA-O 3.31Å; A51-Y69 PolarHBondContact N-O 3.41Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; Y69-L71 HydrophobicContact CE1-CB 4.06Å; Y69-I86 HydrophobicContact CD1-CB 4.18Å; Y69-I86 HydrophobicContact CD1-CD1 3.78Å; Y69-I86 HydrophobicContact CD1-CG1 3.77Å; Y69-I86 HydrophobicContact CE1-CB 3.8Å; Y69-I86 HydrophobicContact CE1-CD1 4.11Å; Y69-I86 HydrophobicContact CE1-CG1 3.94Å; Y69-M89 HydrophobicContact CD1-CE 3.83Å; Y69-M89 HydrophobicContact CD2-CE 3.59Å; Y69-M89 HydrophobicContact CD2-SD 3.32Å; Y69-M89 WeakPolarHBondContact CD2-SD 3.33Å; Y69-M89 HydrophobicContact CE2-CE 4.35Å; Y69-M89 HydrophobicContact CE2-SD 3.83Å; Y69-M89 HydrophobicContact CG-CE 3.28Å; Y69-M89 HydrophobicContact CG-SD 3.74Å
70E93.8Very high92.5Very high67 Ų6772.4 Ų72.431%0.31338%0.383SS..EExtended strand (participates in β ladder)trans-133.2134.8169.469.1-174.4156.900110A51 A57 K61 L67 R72A51-E70 CarbonylContact O-C 3.56Å; A51-E70 VanDerWaalsContact O-CA 3.29Å; A51-E70 WeakPolarHBondContact O-CA 3.32Å; A57-E70 HydrophobicContact CB-CB 4.08Å; A57-E70 WeakPolarHBondContact CB-OE2 3.38Å; K61-E70 WeakPolarHBondContact CE-OE2 3.31Å; K61-E70 IonicContact NZ-OE1 3.35Å; K61-E70 PolarHBondContact NZ-OE1 3.34Å; K61-E70 IonicContact NZ-OE2 2.69Å; K61-E70 PolarHBondContact NZ-OE2 2.94Å; L67-E70 HydrophobicContact CD1-CB 4.48Å; E70-R72 IonicContact OE1-NE 3.58Å; E70-R72 IonicContact OE2-CZ 3.48Å; E70-R72 IonicContact OE2-NE 2.62Å; E70-R72 PolarHBondContact OE2-NE 3.35Å; E70-R72 IonicContact OE2-NH2 3.02Å; E70-R72 PolarHBondContact OE2-NH2 3.13Å
71L92.8Very high92.2Very high26 Ų2677.3 Ų77.314%0.13641%0.409CS..EExtended strand (participates in β ladder)trans-110.3122.1167.8-174.261.6000108.3A51 G53 Y69 L74 I86A51-L71 PolarHBondContact O-N 3.45Å; G53-L71 PolarHBondContact N-O 3.09Å; Y69-L71 HydrophobicContact CE1-CB 4.06Å; L71-L74 HydrophobicContact CD2-CD1 4.21Å; L71-I86 HydrophobicContact CB-CD1 4.45Å; L71-I86 HydrophobicContact CD2-CG2 4Å
72R93.6Very high91.8Very high87 Ų8776 Ų7633%0.32841%0.405SS..  trans-118.8158.9178.5-61.8-174.4-179.9-128.7-3.4110.7D18 D58 E70D18-R72 WeakPolarHBondContact OD1-CA 3.06Å; D58-R72 IonicContact OD1-CZ 3.22Å; D58-R72 VanDerWaalsContact OD1-CZ 3.25Å; D58-R72 IonicContact OD1-NH1 3.25Å; D58-R72 PolarHBondContact OD1-NH1 3.43Å; D58-R72 IonicContact OD1-NH2 4Å; D58-R72 PolarHBondContact OD1-NH2 2.93Å; D58-R72 IonicContact OD2-NH1 3.39Å; D58-R72 PolarHBondContact OD2-NH1 3.49Å; E70-R72 IonicContact OE1-NE 3.58Å; E70-R72 IonicContact OE2-CZ 3.48Å; E70-R72 IonicContact OE2-NE 2.62Å; E70-R72 PolarHBondContact OE2-NE 3.35Å; E70-R72 IonicContact OE2-NH2 3.02Å; E70-R72 PolarHBondContact OE2-NH2 3.13Å
73N92.1Very high91.4Very high144 Ų14471.9 Ų71.977%0.7737%0.37SS*.  trans57.347.6177.4-52.5-52.1000112.3D18D18-N73 PolarHBondContact OD1-N 3.26Å; D18-N73 VanDerWaalsContact OD2-CA 3.31Å; D18-N73 WeakPolarHBondContact OD2-CA 3.41Å; D18-N73 PolarHBondContact OD2-N 3Å; D18-N73 VanDerWaalsContact OD2-N 3.16Å
74L90.9Very high91.1Very high13 Ų1370.9 Ų70.97%0.06837%0.367CS..  trans-70.7134.6172.7-172.164.8000108.8D18 I52 L71 P78 E82 V83 I166D18-L74 PolarHBondContact OD2-N 3.45Å; I52-L74 HydrophobicContact CG2-CD2 4.14Å; L71-L74 HydrophobicContact CD2-CD1 4.21Å; L74-P78 HydrophobicContact CD1-CB 3.72Å; L74-P78 HydrophobicContact CD2-CB 4.03Å; L74-P78 HydrophobicContact CD2-CG 4.25Å; L74-P78 HydrophobicContact CG-CB 3.85Å; L74-P78 HydrophobicContact CG-CG 4.46Å; L74-E82 HydrophobicContact CD1-CB 4.12Å; L74-V83 HydrophobicContact CD1-CG1 3.93Å; L74-V83 HydrophobicContact CD2-CG1 4.45Å; L74-I166 HydrophobicContact CD2-CG2 3.68Å
75S92.3Very high90.8Very high43 Ų4375.2 Ų75.230%0.30137%0.368SS..  trans-62158.5178.566.70000111.9Q77 P78 E82 K170S75-Q77 PolarHBondContact O-N 3.32Å; S75-Q77 PolarHBondContact OG-O 3.38Å; S75-P78 WeakPolarHBondContact O-CD 3.47Å; S75-P78 VanDerWaalsContact OG-CA 3.31Å; S75-P78 WeakPolarHBondContact OG-CA 3.42Å; S75-E82 VanDerWaalsContact CB-OE2 3.27Å; S75-E82 WeakPolarHBondContact CB-OE2 3.48Å; S75-E82 PolarHBondContact N-OE2 3.28Å; S75-E82 PolarHBondContact OG-OE1 3.44Å; S75-E82 PolarHBondContact OG-OE2 3.25Å; S75-K170 WeakPolarHBondContact O-CE 3.41Å
76D90.1Very high90.7Very high106 Ų10674.2 Ų74.257%0.56736%0.361SS*.SBendtrans-61.3-31177.1-69.1-29.5000112P78 H174D76-P78 WeakPolarHBondContact O-CD 3.41Å; D76-H174 PolarHBondContact O-NE2 2.83Å; D76-H174 IonicContact OD1-CE1 3.45Å; D76-H174 PolarHBondContact OD1-CE1 3.22Å; D76-H174 IonicContact OD1-NE2 3.94Å
77Q91.7Very high90.4Very high176 Ų17665.4 Ų65.482%0.82232%0.323SS*.SBendtrans-121.776.4176.2-66.6-176-1300109.2S75 S79S75-Q77 PolarHBondContact O-N 3.32Å; S75-Q77 PolarHBondContact OG-O 3.38Å; Q77-S79 PolarHBondContact O-N 3.45Å
78P92Very high90Very high8 Ų865.6 Ų65.65%0.05233%0.327CS..  trans-63.8124.9-172.226.5-34.3000111.4L74 S75 D76 V83 Y163 I166 K170L74-P78 HydrophobicContact CD1-CB 3.72Å; L74-P78 HydrophobicContact CD2-CB 4.03Å; L74-P78 HydrophobicContact CD2-CG 4.25Å; L74-P78 HydrophobicContact CG-CB 3.85Å; L74-P78 HydrophobicContact CG-CG 4.46Å; S75-P78 WeakPolarHBondContact O-CD 3.47Å; S75-P78 VanDerWaalsContact OG-CA 3.31Å; S75-P78 WeakPolarHBondContact OG-CA 3.42Å; D76-P78 WeakPolarHBondContact O-CD 3.41Å; P78-V83 HydrophobicContact CB-CG1 4.26Å; P78-Y163 WeakPolarHBondContact O-CE2 3.21Å; P78-Y163 PolarHBondContact O-OH 2.96Å; P78-I166 HydrophobicContact CG-CG2 4.13Å; P78-K170 HydrophobicContact CG-CG 4.11Å
79S92Very high89.8Confident48 Ų4865.7 Ų65.734%0.33632%0.321SS..  trans-70.1155.5166.763.80000110.7Q77 D81 E82Q77-S79 PolarHBondContact O-N 3.45Å; S79-D81 PolarHBondContact O-N 3.31Å; S79-E82 PolarHBondContact N-OE1 2.78Å; S79-E82 VanDerWaalsContact N-OE1 3.17Å; S79-E82 PolarHBondContact O-N 2.63Å; S79-E82 WeakPolarHBondContact OG-CG 3.33Å; S79-E82 PolarHBondContact OG-N 3.09Å; S79-E82 PolarHBondContact OG-OE1 3.36Å
80F90Very high89.7Confident62 Ų6262.5 Ų62.527%0.27231%0.308SS..Hα-helixtrans-56.7-35172.9-176.9-101.9000111.7E82 V83 R84 E159 Y163F80-E82 VanDerWaalsContact C-N 3.34Å; F80-E82 PolarHBondContact O-N 2.96Å; F80-V83 HydrophobicContact CD2-CG2 4.48Å; F80-V83 VanDerWaalsContact O-CG2 3.29Å; F80-V83 WeakPolarHBondContact O-CG2 3.5Å; F80-V83 PolarHBondContact O-N 3.39Å; F80-R84 HydrophobicContact CE1-CB 4.49Å; F80-R84 HydrophobicContact CE1-CG 4.23Å; F80-R84 WeakPolarHBondContact O-CB 3.48Å; F80-R84 PolarHBondContact O-N 3.28Å; F80-E159 HydrophobicContact CE2-CB 4.19Å; F80-E159 HydrophobicContact CZ-CB 3.98Å; F80-E159 WeakPolarHBondContact CZ-OE2 3.44Å; F80-Y163 HydrophobicContact CD2-CD1 4.01Å; F80-Y163 HydrophobicContact CD2-CD2 4.33Å; F80-Y163 AromaticContact CD2-CG 3.86Å; F80-Y163 HydrophobicContact CD2-CG 3.86Å
81D89.2Confident89.3Confident102 Ų10259.6 Ų59.655%0.54530%0.295SS..Hα-helixtrans-65.9-33.5-179.6-70.9-13.6000113.4S79 R84S79-D81 PolarHBondContact O-N 3.31Å; D81-R84 IonicContact OD1-CZ 3.42Å; D81-R84 VanDerWaalsContact OD1-CZ 3.22Å; D81-R84 IonicContact OD1-NE 2.69Å; D81-R84 PolarHBondContact OD1-NE 3.08Å; D81-R84 IonicContact OD1-NH2 3.67Å; D81-R84 PolarHBondContact OD1-NH2 3.15Å
82E86.7Confident89.1Confident74 Ų7460.8 Ų60.835%0.34631%0.305SS..Hα-helixtrans-65.3-41.1175.8-78.5164.4-11200111.9L74 S75 S79 F80L74-E82 HydrophobicContact CD1-CB 4.12Å; S75-E82 VanDerWaalsContact CB-OE2 3.27Å; S75-E82 WeakPolarHBondContact CB-OE2 3.48Å; S75-E82 PolarHBondContact N-OE2 3.28Å; S75-E82 PolarHBondContact OG-OE1 3.44Å; S75-E82 PolarHBondContact OG-OE2 3.25Å; S79-E82 PolarHBondContact N-OE1 2.78Å; S79-E82 VanDerWaalsContact N-OE1 3.17Å; S79-E82 PolarHBondContact O-N 2.63Å; S79-E82 WeakPolarHBondContact OG-CG 3.33Å; S79-E82 PolarHBondContact OG-N 3.09Å; S79-E82 PolarHBondContact OG-OE1 3.36Å; F80-E82 VanDerWaalsContact C-N 3.34Å; F80-E82 PolarHBondContact O-N 2.96Å
83V87.2Confident89Confident0 Ų058.2 Ų58.20%030%0.298CS..Hα-helixtrans-88.6-16.2-178-56.70000112.9L74 P78 F80 K85 I86 V87 Y163 I166L74-V83 HydrophobicContact CD1-CG1 3.93Å; L74-V83 HydrophobicContact CD2-CG1 4.45Å; P78-V83 HydrophobicContact CB-CG1 4.26Å; F80-V83 HydrophobicContact CD2-CG2 4.48Å; F80-V83 VanDerWaalsContact O-CG2 3.29Å; F80-V83 WeakPolarHBondContact O-CG2 3.5Å; F80-V83 PolarHBondContact O-N 3.39Å; V83-K85 PolarHBondContact O-N 3.03Å; V83-K85 VanDerWaalsContact O-N 3.07Å; V83-I86 HydrophobicContact CB-CG2 4.43Å; V83-I86 WeakPolarHBondContact O-CG2 3.16Å; V83-I86 PolarHBondContact O-N 3.04Å; V83-I86 VanDerWaalsContact O-N 3.1Å; V83-V87 HydrophobicContact CB-CG2 4.42Å; V83-V87 HydrophobicContact CG2-CG2 4.33Å; V83-V87 VanDerWaalsContact O-CG2 3.31Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.44Å; V83-V87 VanDerWaalsContact O-N 3.1Å; V83-Y163 HydrophobicContact CG2-CD2 3.45Å; V83-Y163 VanDerWaalsContact CG2-CD2 3.45Å; V83-Y163 HydrophobicContact CG2-CE2 4.11Å; V83-Y163 HydrophobicContact CG2-CG 4.25Å; V83-I166 HydrophobicContact CB-CD1 3.81Å; V83-I166 HydrophobicContact CG1-CD1 3.67Å; V83-I166 HydrophobicContact CG1-CG2 4.08Å; V83-I166 HydrophobicContact CG2-CD1 4.36Å
84R87.2Confident88.9Confident117 Ų11751.9 Ų51.944%0.44226%0.263SS..Hα-helixtrans-51.6-40.1-176-169.9-174.8-63.1-167.3-1.8112F80 D81 I86 V87 S88F80-R84 HydrophobicContact CE1-CB 4.49Å; F80-R84 HydrophobicContact CE1-CG 4.23Å; F80-R84 WeakPolarHBondContact O-CB 3.48Å; F80-R84 PolarHBondContact O-N 3.28Å; D81-R84 IonicContact OD1-CZ 3.42Å; D81-R84 VanDerWaalsContact OD1-CZ 3.22Å; D81-R84 IonicContact OD1-NE 2.69Å; D81-R84 PolarHBondContact OD1-NE 3.08Å; D81-R84 IonicContact OD1-NH2 3.67Å; D81-R84 PolarHBondContact OD1-NH2 3.15Å; R84-I86 PolarHBondContact O-N 3.32Å; R84-V87 PolarHBondContact O-N 2.86Å; R84-S88 WeakPolarHBondContact O-CB 3.31Å; R84-S88 PolarHBondContact O-N 3.2Å; R84-S88 PolarHBondContact O-OG 3.17Å
85K85.5Confident88.7Confident154 Ų15456.2 Ų56.267%0.6728%0.283SS*.Hα-helixtrans-60.1-48.1-179.5-68.7-178-176.2173.60113.1V83 V87 M89V83-K85 PolarHBondContact O-N 3.03Å; V83-K85 VanDerWaalsContact O-N 3.07Å; K85-V87 VanDerWaalsContact C-N 3.32Å; K85-M89 WeakPolarHBondContact O-CB 3.5Å; K85-M89 PolarHBondContact O-N 2.87Å
86I87.4Confident88.6Confident1 Ų160 Ų601%0.00530%0.3CS..Hα-helixtrans-68.8-39.8-180-173.9170.6000110.3L50 I52 Y69 L71 V83 R84 M89 T90L50-I86 HydrophobicContact CD2-CG1 4.35Å; I52-I86 HydrophobicContact CD1-CD1 3.8Å; I52-I86 HydrophobicContact CD1-CG2 4.36Å; I52-I86 HydrophobicContact CG1-CD1 3.46Å; I52-I86 VanDerWaalsContact CG1-CD1 3.46Å; Y69-I86 HydrophobicContact CD1-CB 4.18Å; Y69-I86 HydrophobicContact CD1-CD1 3.78Å; Y69-I86 HydrophobicContact CD1-CG1 3.77Å; Y69-I86 HydrophobicContact CE1-CB 3.8Å; Y69-I86 HydrophobicContact CE1-CD1 4.11Å; Y69-I86 HydrophobicContact CE1-CG1 3.94Å; L71-I86 HydrophobicContact CB-CD1 4.45Å; L71-I86 HydrophobicContact CD2-CG2 4Å; V83-I86 HydrophobicContact CB-CG2 4.43Å; V83-I86 WeakPolarHBondContact O-CG2 3.16Å; V83-I86 PolarHBondContact O-N 3.04Å; V83-I86 VanDerWaalsContact O-N 3.1Å; R84-I86 PolarHBondContact O-N 3.32Å; I86-M89 PolarHBondContact O-N 3.16Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 PolarHBondContact O-N 3.48Å; I86-T90 PolarHBondContact O-OG1 3.47Å
87V84.7Confident88.6Confident0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-62.7-55.7-179.6170.30000111.1V83 R84 K85 M89 T90 T91 E159 I162V83-V87 HydrophobicContact CB-CG2 4.42Å; V83-V87 HydrophobicContact CG2-CG2 4.33Å; V83-V87 VanDerWaalsContact O-CG2 3.31Å; V83-V87 WeakPolarHBondContact O-CG2 3.39Å; V83-V87 PolarHBondContact O-N 3.44Å; V83-V87 VanDerWaalsContact O-N 3.1Å; R84-V87 PolarHBondContact O-N 2.86Å; K85-V87 VanDerWaalsContact C-N 3.32Å; V87-M89 VanDerWaalsContact C-N 3.31Å; V87-M89 PolarHBondContact O-N 2.88Å; V87-T90 PolarHBondContact O-N 2.94Å; V87-T91 PolarHBondContact O-N 3.37Å; V87-T91 PolarHBondContact O-OG1 2.81Å; V87-E159 HydrophobicContact CG1-CB 3.28Å; V87-E159 HydrophobicContact CG1-CG 3.29Å; V87-I162 HydrophobicContact CG1-CD1 4.45Å; V87-I162 HydrophobicContact CG2-CB 4.06Å; V87-I162 HydrophobicContact CG2-CG2 3.74Å
88S85.9Confident88.6Confident39 Ų3956.1 Ų56.127%0.27328%0.282SS..Hα-helixtrans-62.8-38.6179.3-53.80000111.6R84 T91 S92 E159R84-S88 WeakPolarHBondContact O-CB 3.31Å; R84-S88 PolarHBondContact O-N 3.2Å; R84-S88 PolarHBondContact O-OG 3.17Å; S88-T91 PolarHBondContact O-N 3.24Å; S88-S92 WeakPolarHBondContact O-CB 3.29Å; S88-S92 PolarHBondContact O-N 3.48Å; S88-S92 PolarHBondContact O-OG 3.42Å; S88-S92 VanDerWaalsContact O-OG 3.05Å; S88-E159 PolarHBondContact OG-OE1 3Å
89M88.8Confident88.6Confident46 Ų4655.8 Ų55.823%0.22728%0.28CS..Hα-helixtrans-64.1-42.5175.7-176.1-161.671.100111.9L50 Y69 K85 I86 V87 T91 S92 M93L50-M89 HydrophobicContact CD2-CE 3.49Å; L50-M89 VanDerWaalsContact CD2-CE 3.49Å; Y69-M89 HydrophobicContact CD1-CE 3.83Å; Y69-M89 HydrophobicContact CD2-CE 3.59Å; Y69-M89 HydrophobicContact CD2-SD 3.32Å; Y69-M89 WeakPolarHBondContact CD2-SD 3.33Å; Y69-M89 HydrophobicContact CE2-CE 4.35Å; Y69-M89 HydrophobicContact CE2-SD 3.83Å; Y69-M89 HydrophobicContact CG-CE 3.28Å; Y69-M89 HydrophobicContact CG-SD 3.74Å; K85-M89 WeakPolarHBondContact O-CB 3.5Å; K85-M89 PolarHBondContact O-N 2.87Å; I86-M89 PolarHBondContact O-N 3.16Å; V87-M89 VanDerWaalsContact C-N 3.31Å; V87-M89 PolarHBondContact O-N 2.88Å; M89-T91 VanDerWaalsContact C-N 3.34Å; M89-S92 PolarHBondContact O-N 2.62Å; M89-M93 HydrophobicContact CE-CE 3.73Å; M89-M93 HydrophobicContact CE-SD 4.19Å; M89-M93 HydrophobicContact CG-CE 3.96Å; M89-M93 WeakPolarHBondContact O-CG 3.24Å; M89-M93 PolarHBondContact O-N 3.16Å; M89-M93 HydrophobicContact SD-CE 3.79Å
90T89.5Confident88.6Confident0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-63.6-43.8178-53.40000110.5I13 L50 I86 V87 S92 M93 Y94 F99 L102I13-T90 HydrophobicContact CD1-CG2 3.98Å; I13-T90 HydrophobicContact CG1-CG2 4.48Å; L50-T90 HydrophobicContact CD2-CG2 4.49Å; L50-T90 WeakPolarHBondContact CD2-OG1 3.4Å; I86-T90 WeakPolarHBondContact O-CB 3.44Å; I86-T90 PolarHBondContact O-N 3.48Å; I86-T90 PolarHBondContact O-OG1 3.47Å; V87-T90 PolarHBondContact O-N 2.94Å; T90-S92 PolarHBondContact O-N 3.39Å; T90-M93 WeakPolarHBondContact O-CB 3.22Å; T90-M93 PolarHBondContact O-N 2.82Å; T90-Y94 PolarHBondContact O-N 3.31Å; T90-F99 HydrophobicContact CG2-CE1 4.5Å; T90-F99 HydrophobicContact CG2-CE2 4.48Å; T90-F99 HydrophobicContact CG2-CZ 3.69Å; T90-F99 WeakPolarHBondContact O-CZ 3.42Å; T90-L102 HydrophobicContact CG2-CD1 3.51Å; T90-L102 HydrophobicContact CG2-CD2 3.42Å; T90-L102 VanDerWaalsContact CG2-CD2 3.42Å; T90-L102 HydrophobicContact CG2-CG 4.11Å
91T86.2Confident88.8Confident5 Ų552.1 Ų52.13%0.03126%0.259CS..Hα-helixtrans-57.7-47.1172.9-66.50000111.9M1 V87 S88 M89 M93 Y94 E95 P155M1-T91 HydrophobicContact CE-CG2 3.25Å; V87-T91 PolarHBondContact O-N 3.37Å; V87-T91 PolarHBondContact O-OG1 2.81Å; S88-T91 PolarHBondContact O-N 3.24Å; M89-T91 VanDerWaalsContact C-N 3.34Å; T91-M93 VanDerWaalsContact C-N 3.33Å; T91-M93 PolarHBondContact O-N 2.6Å; T91-Y94 WeakPolarHBondContact O-CB 3.37Å; T91-Y94 PolarHBondContact O-N 3.15Å; T91-E95 WeakPolarHBondContact O-CG 3.31Å; T91-E95 PolarHBondContact O-N 2.82Å; T91-P155 HydrophobicContact CG2-CB 4.3Å
92S88.5Confident89Confident51 Ų5147.3 Ų47.336%0.35723%0.233SC..Hα-helixtrans-63.6-35.3175.6-62.10000112.9S88 M89 T90 Y94 E95 N96S88-S92 WeakPolarHBondContact O-CB 3.29Å; S88-S92 PolarHBondContact O-N 3.48Å; S88-S92 PolarHBondContact O-OG 3.42Å; S88-S92 VanDerWaalsContact O-OG 3.05Å; M89-S92 PolarHBondContact O-N 2.62Å; T90-S92 PolarHBondContact O-N 3.39Å; S92-Y94 VanDerWaalsContact C-N 3.34Å; S92-E95 PolarHBondContact O-N 2.83Å; S92-N96 WeakPolarHBondContact O-CB 3.1Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.87Å; S92-N96 PolarHBondContact O-ND2 3.02Å
93M91.5Very high89.4Confident34 Ų3446.1 Ų46.117%0.16723%0.226CC..Hα-helixtrans-64.3-40.3174.7-74.7178.617600111.5L50 A68 M89 T90 T91 N96 Q97 V98 F99L50-M93 HydrophobicContact CD2-SD 4.43Å; A68-M93 HydrophobicContact CB-CE 4.14Å; A68-M93 HydrophobicContact CB-SD 4.48Å; M89-M93 HydrophobicContact CE-CE 3.73Å; M89-M93 HydrophobicContact CE-SD 4.19Å; M89-M93 HydrophobicContact CG-CE 3.96Å; M89-M93 WeakPolarHBondContact O-CG 3.24Å; M89-M93 PolarHBondContact O-N 3.16Å; M89-M93 HydrophobicContact SD-CE 3.79Å; T90-M93 WeakPolarHBondContact O-CB 3.22Å; T90-M93 PolarHBondContact O-N 2.82Å; T91-M93 VanDerWaalsContact C-N 3.33Å; T91-M93 PolarHBondContact O-N 2.6Å; M93-N96 PolarHBondContact O-N 3.12Å; M93-Q97 PolarHBondContact O-N 3.48Å; M93-V98 HydrophobicContact CB-CB 4.06Å; M93-V98 HydrophobicContact CB-CG2 4.14Å; M93-V98 HydrophobicContact CG-CG2 4.38Å; M93-V98 VanDerWaalsContact O-CB 3.29Å; M93-V98 WeakPolarHBondContact O-CB 3.48Å; M93-V98 WeakPolarHBondContact O-CG2 3.29Å; M93-V98 PolarHBondContact O-N 2.96Å; M93-F99 HydrophobicContact CB-CD1 4.29Å; M93-F99 HydrophobicContact CB-CE1 3.41Å; M93-F99 VanDerWaalsContact CB-CE1 3.41Å; M93-F99 HydrophobicContact CB-CZ 3.79Å; M93-F99 HydrophobicContact CG-CE1 4.39Å; M93-F99 HydrophobicContact SD-CE1 4.19Å
94Y89.9Confident89.9Confident10 Ų1046.1 Ų46.14%0.03923%0.226CC..Hα-helixtrans-62.9-47.4175.2-179.3-94.7000112.3M1 R5 T90 T91 S92 N96 Q97 F99 D100 L123M1-Y94 HydrophobicContact CG-CD1 4.47Å; M1-Y94 HydrophobicContact CG-CE1 4.26Å; R5-Y94 PolarHBondContact NH2-O 3.49Å; T90-Y94 PolarHBondContact O-N 3.31Å; T91-Y94 WeakPolarHBondContact O-CB 3.37Å; T91-Y94 PolarHBondContact O-N 3.15Å; S92-Y94 VanDerWaalsContact C-N 3.34Å; Y94-N96 VanDerWaalsContact C-N 3.32Å; Y94-N96 PolarHBondContact O-N 3.09Å; Y94-Q97 PolarHBondContact O-N 2.74Å; Y94-F99 AromaticContact CD2-CD2 3.96Å; Y94-F99 HydrophobicContact CD2-CD2 3.96Å; Y94-F99 AromaticContact CD2-CE2 3.86Å; Y94-F99 HydrophobicContact CD2-CE2 3.86Å; Y94-F99 HydrophobicContact CG-CE2 4.25Å; Y94-D100 VanDerWaalsContact CE2-O 3.29Å; Y94-D100 WeakPolarHBondContact CE2-O 3.37Å; Y94-L123 HydrophobicContact CD1-CD1 4.1Å; Y94-L123 HydrophobicContact CD2-CB 3.85Å; Y94-L123 HydrophobicContact CD2-CD1 4Å; Y94-L123 HydrophobicContact CE2-CB 3.75Å; Y94-L123 HydrophobicContact CG-CB 4.32Å; Y94-L123 HydrophobicContact CG-CD1 3.7Å
95E86.9Confident90.3Very high105 Ų10540.6 Ų40.649%0.49121%0.205SC..Hα-helixtrans-59.6-41.8177.3-72.6174.7177.400111.8T91 S92 Q97T91-E95 WeakPolarHBondContact O-CG 3.31Å; T91-E95 PolarHBondContact O-N 2.82Å; S92-E95 PolarHBondContact O-N 2.83Å; E95-Q97 PolarHBondContact O-N 3.28Å
96N90.4Very high90.9Very high123 Ų12333.5 Ų33.566%0.65817%0.174SC*.THydrogen-bonded Turntrans-76.57.7176.1-70.6-51.2000114.3S92 M93 Y94 V98S92-N96 WeakPolarHBondContact O-CB 3.1Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.87Å; S92-N96 PolarHBondContact O-ND2 3.02Å; M93-N96 PolarHBondContact O-N 3.12Å; Y94-N96 VanDerWaalsContact C-N 3.32Å; Y94-N96 PolarHBondContact O-N 3.09Å; N96-V98 VanDerWaalsContact C-N 3.26Å; N96-V98 HydrophobicContact CB-CG2 4.34Å; N96-V98 PolarHBondContact O-N 2.93Å
97Q89.4Confident91.3Very high141 Ų14133.4 Ų33.466%0.65917%0.173SC*.THydrogen-bonded Turntrans60.831.2177.3-34.2-167.3-8.400114.2M93 Y94 E95 F99M93-Q97 PolarHBondContact O-N 3.48Å; Y94-Q97 PolarHBondContact O-N 2.74Å; E95-Q97 PolarHBondContact O-N 3.28Å; Q97-F99 VanDerWaalsContact C-N 3.32Å
98V91.7Very high91.8Very high59 Ų5936.1 Ų36.136%0.35819%0.186SC..SBendtrans-68.4-37.3172.9178.90000110.6V48 M93 N96V48-V98 HydrophobicContact CG2-CG1 4.22Å; M93-V98 HydrophobicContact CB-CB 4.06Å; M93-V98 HydrophobicContact CB-CG2 4.14Å; M93-V98 HydrophobicContact CG-CG2 4.38Å; M93-V98 VanDerWaalsContact O-CB 3.29Å; M93-V98 WeakPolarHBondContact O-CB 3.48Å; M93-V98 WeakPolarHBondContact O-CG2 3.29Å; M93-V98 PolarHBondContact O-N 2.96Å; N96-V98 VanDerWaalsContact C-N 3.26Å; N96-V98 HydrophobicContact CB-CG2 4.34Å; N96-V98 PolarHBondContact O-N 2.93Å
99F92.7Very high92.3Very high0 Ų036.8 Ų36.80%018%0.184CC..  trans-143.3155.7171.550-100.8000110R5 K9 V48 T90 M93 Y94 Q97 E101 L102R5-F99 PolarHBondContact NH2-O 3.14Å; K9-F99 HydrophobicContact CB-CB 4.26Å; K9-F99 CarbonylContact O-C 3.57Å; K9-F99 WeakPolarHBondContact O-CA 3.37Å; K9-F99 WeakPolarHBondContact O-CB 3.29Å; V48-F99 HydrophobicContact CB-CD1 4.36Å; T90-F99 HydrophobicContact CG2-CE1 4.5Å; T90-F99 HydrophobicContact CG2-CE2 4.48Å; T90-F99 HydrophobicContact CG2-CZ 3.69Å; T90-F99 WeakPolarHBondContact O-CZ 3.42Å; M93-F99 HydrophobicContact CB-CD1 4.29Å; M93-F99 HydrophobicContact CB-CE1 3.41Å; M93-F99 VanDerWaalsContact CB-CE1 3.41Å; M93-F99 HydrophobicContact CB-CZ 3.79Å; M93-F99 HydrophobicContact CG-CE1 4.39Å; M93-F99 HydrophobicContact SD-CE1 4.19Å; Y94-F99 AromaticContact CD2-CD2 3.96Å; Y94-F99 HydrophobicContact CD2-CD2 3.96Å; Y94-F99 AromaticContact CD2-CE2 3.86Å; Y94-F99 HydrophobicContact CD2-CE2 3.86Å; Y94-F99 HydrophobicContact CG-CE2 4.25Å; Q97-F99 VanDerWaalsContact C-N 3.32Å; F99-E101 WeakPolarHBondContact CD2-O 3.34Å; F99-L102 HydrophobicContact CD2-CB 4.45Å; F99-L102 HydrophobicContact CE2-CB 3.94Å; F99-L102 HydrophobicContact CE2-CD1 4Å; F99-L102 HydrophobicContact CE2-CG 4.43Å; F99-L102 HydrophobicContact CZ-CD1 4.08Å
100D92.5Very high92.5Very high12 Ų1238.1 Ų38.16%0.06420%0.195CC..SBendtrans-101-19.1-173.5-54.1-66.4000113R5 V7 K8 K9 Y94R5-D100 WeakPolarHBondContact CD-OD1 3.45Å; R5-D100 HydrophobicContact CG-CB 4.06Å; R5-D100 IonicContact CZ-OD1 3.54Å; R5-D100 VanDerWaalsContact CZ-OD1 3.32Å; R5-D100 IonicContact NE-OD1 3.97Å; R5-D100 PolarHBondContact NE-OD1 3.27Å; R5-D100 IonicContact NH2-OD1 2.63Å; V7-D100 HydrophobicContact CB-CB 4.48Å; V7-D100 HydrophobicContact CG1-CB 4.33Å; K8-D100 WeakPolarHBondContact CA-OD2 3.25Å; K8-D100 WeakPolarHBondContact CB-OD2 3.37Å; K8-D100 PolarHBondContact N-OD2 2.96Å; K9-D100 PolarHBondContact N-OD2 3.29Å; K9-D100 PolarHBondContact O-N 3.38Å; Y94-D100 VanDerWaalsContact CE2-O 3.29Å; Y94-D100 WeakPolarHBondContact CE2-O 3.37Å
101E93.2Very high92.6Very high22 Ų2241.4 Ų41.410%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-136.3151.8173.1-58-164.614800110.2V7 T10 G11 F99 Y103 K121 L123V7-E101 HydrophobicContact CG1-CG 4.16Å; V7-E101 HydrophobicContact CG2-CG 3.7Å; T10-E101 HydrophobicContact CG2-CB 4.4Å; G11-E101 PolarHBondContact N-O 2.89Å; F99-E101 WeakPolarHBondContact CD2-O 3.34Å; E101-Y103 HydrophobicContact CB-CD2 4.48Å; E101-Y103 HydrophobicContact CB-CE2 3.82Å; E101-Y103 VanDerWaalsContact OE2-CE2 3.31Å; E101-Y103 WeakPolarHBondContact OE2-CE2 3.29Å; E101-Y103 PolarHBondContact OE2-OH 3.03Å; E101-K121 VanDerWaalsContact CD-NZ 3.27Å; E101-K121 IonicContact OE1-NZ 2.73Å; E101-K121 PolarHBondContact OE1-NZ 3.07Å; E101-K121 IonicContact OE2-NZ 2.68Å; E101-L123 CarbonylContact C-O 3.47Å; E101-L123 VanDerWaalsContact CA-O 3.31Å; E101-L123 WeakPolarHBondContact CA-O 3.37Å
102L94.2Very high92.6Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-127.6125.7175.1-179.167.8000109.6G11 I13 T90 F99 M122 L123 I162G11-L102 CarbonylContact O-C 3.54Å; G11-L102 WeakPolarHBondContact O-CA 3.45Å; I13-L102 HydrophobicContact CD1-CD1 4.17Å; I13-L102 HydrophobicContact CD1-CD2 4.26Å; I13-L102 HydrophobicContact CG1-CD1 4.09Å; T90-L102 HydrophobicContact CG2-CD1 3.51Å; T90-L102 HydrophobicContact CG2-CD2 3.42Å; T90-L102 VanDerWaalsContact CG2-CD2 3.42Å; T90-L102 HydrophobicContact CG2-CG 4.11Å; F99-L102 HydrophobicContact CD2-CB 4.45Å; F99-L102 HydrophobicContact CE2-CB 3.94Å; F99-L102 HydrophobicContact CE2-CD1 4Å; F99-L102 HydrophobicContact CE2-CG 4.43Å; F99-L102 HydrophobicContact CZ-CD1 4.08Å; L102-M122 HydrophobicContact CD2-CB 3.98Å; L102-M122 HydrophobicContact CG-CB 4.26Å; L102-M122 PolarHBondContact O-N 2.94Å; L102-L123 HydrophobicContact CB-CB 3.83Å; L102-L123 HydrophobicContact CB-CD1 4.33Å; L102-L123 HydrophobicContact CB-CG 4.3Å; L102-L123 HydrophobicContact CD2-CD1 3.89Å; L102-L123 HydrophobicContact CD2-CG 4.2Å; L102-L123 PolarHBondContact N-O 3.16Å; L102-L123 PolarHBondContact O-N 3.01Å; L102-I162 HydrophobicContact CD2-CD1 3.95Å
103Y95.2Very high92.3Very high50 Ų5049.6 Ų49.620%0.19626%0.258CS..EExtended strand (participates in β ladder)trans-114.9146.3171.3-64.1-92.4000111T10 G11 Y12 I13 E101 V119 E120 K121T10-Y103 HydrophobicContact CG2-CD2 3.46Å; T10-Y103 VanDerWaalsContact CG2-CD2 3.46Å; T10-Y103 HydrophobicContact CG2-CE2 3.63Å; G11-Y103 PolarHBondContact O-N 2.95Å; Y12-Y103 CarbonylContact C-O 3.56Å; Y12-Y103 WeakPolarHBondContact CA-O 3.38Å; Y12-Y103 HydrophobicContact CD1-CD2 4.47Å; Y12-Y103 HydrophobicContact CD1-CG 4.43Å; Y12-Y103 HydrophobicContact CE1-CD2 4Å; Y12-Y103 HydrophobicContact CE1-CG 4.13Å; I13-Y103 PolarHBondContact N-O 2.87Å; E101-Y103 HydrophobicContact CB-CD2 4.48Å; E101-Y103 HydrophobicContact CB-CE2 3.82Å; E101-Y103 VanDerWaalsContact OE2-CE2 3.31Å; E101-Y103 WeakPolarHBondContact OE2-CE2 3.29Å; E101-Y103 PolarHBondContact OE2-OH 3.03Å; Y103-V119 HydrophobicContact CD1-CG1 3.79Å; Y103-V119 HydrophobicContact CG-CG1 4.15Å; Y103-E120 CarbonylContact C-O 3.57Å; Y103-E120 WeakPolarHBondContact CA-O 3.28Å; Y103-K121 HydrophobicContact CD1-CB 3.92Å; Y103-K121 HydrophobicContact CD1-CG 4.39Å; Y103-K121 HydrophobicContact CE1-CB 3.61Å; Y103-K121 HydrophobicContact CE1-CD 4.23Å; Y103-K121 HydrophobicContact CE1-CG 3.91Å
104V95.8Very high92.2Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-110.9119.2169.1-179.10000108.2I13 I15 Y106 V119 E120 M122 I162 A165I13-V104 HydrophobicContact CB-CG1 4.46Å; I13-V104 HydrophobicContact CB-CG2 4.07Å; I13-V104 HydrophobicContact CD1-CG2 4.04Å; I13-V104 HydrophobicContact CG2-CG1 4.44Å; I13-V104 CarbonylContact O-C 3.5Å; I13-V104 WeakPolarHBondContact O-CA 3.22Å; I15-V104 HydrophobicContact CD1-CG1 3.62Å; I15-V104 HydrophobicContact CG1-CG1 4.05Å; V104-Y106 HydrophobicContact CG1-CD1 3.89Å; V104-V119 WeakPolarHBondContact O-CA 3.42Å; V104-E120 PolarHBondContact N-O 2.86Å; V104-E120 PolarHBondContact O-N 2.91Å; V104-M122 HydrophobicContact CB-CE 3.72Å; V104-M122 HydrophobicContact CB-CG 4.19Å; V104-M122 HydrophobicContact CG2-CE 3.72Å; V104-M122 HydrophobicContact CG2-CG 3.36Å; V104-M122 HydrophobicContact CG2-SD 4.32Å; V104-I162 HydrophobicContact CG2-CG1 4.34Å; V104-A165 HydrophobicContact CG1-CB 3.88Å
105C97Very high92.3Very high0 Ų052.2 Ų52.20%028%0.281CS..EExtended strand (participates in β ladder)trans-98.8114.8175.9-57.10000108.4I13 V14 I15 I29 F117 R118I13-C105 PolarHBondContact O-N 3.41Å; V14-C105 HydrophobicContact CG2-CB 4.36Å; I15-C105 PolarHBondContact N-O 3.39Å; I29-C105 HydrophobicContact CD1-CB 4.04Å; C105-F117 HydrophobicContact CB-CE2 4.12Å; C105-R118 WeakPolarHBondContact CA-O 3.15Å
106Y97Very high92.6Very high5 Ų553.2 Ų53.22%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-152.9170.4-179.275.2-78.5000111.4V104 H108 R118 E120 A165 D168 A169V104-Y106 HydrophobicContact CG1-CD1 3.89Å; Y106-H108 HydrophobicContact CE2-CB 4.07Å; Y106-R118 HydrophobicContact CE1-CB 4.25Å; Y106-R118 PolarHBondContact N-O 2.93Å; Y106-R118 PolarHBondContact O-N 3.35Å; Y106-E120 HydrophobicContact CE1-CG 4.14Å; Y106-E120 PolarHBondContact OH-OE1 3.24Å; Y106-A165 HydrophobicContact CD1-CB 4.06Å; Y106-A165 HydrophobicContact CE1-CB 3.88Å; Y106-A165 HydrophobicContact CG-CB 4.47Å; Y106-D168 HydrophobicContact CE2-CB 3.89Å; Y106-D168 VanDerWaalsContact CE2-OD2 3.22Å; Y106-D168 WeakPolarHBondContact CE2-OD2 3.4Å; Y106-D168 PolarHBondContact OH-OD2 2.81Å; Y106-D168 VanDerWaalsContact OH-OD2 3.14Å; Y106-A169 HydrophobicContact CD2-CB 3.99Å; Y106-A169 HydrophobicContact CG-CB 4.45Å
107N96.2Very high92.8Very high0 Ų049.2 Ų49.20%026%0.262CS..EExtended strand (participates in β ladder)trans-95.4112.3173.1-78.9-33.5000108.9Y25 Q116 A172Y25-N107 HydrophobicContact CD2-CB 4.12Å; Y25-N107 WeakPolarHBondContact CD2-ND2 3.45Å; Y25-N107 HydrophobicContact CE2-CB 3.56Å; Y25-N107 VanDerWaalsContact CE2-ND2 3.33Å; Y25-N107 WeakPolarHBondContact CE2-ND2 3.42Å; Y25-N107 PolarHBondContact O-ND2 2.88Å; Y25-N107 VanDerWaalsContact O-ND2 3.15Å; N107-Q116 CarbonylContact C-O 3.52Å; N107-Q116 WeakPolarHBondContact CA-O 3.38Å; N107-A172 HydrophobicContact CB-CB 4.15Å; N107-A172 WeakPolarHBondContact O-CB 3.47Å
108H96.1Very high93.1Very high57 Ų5748.1 Ų48.126%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-71.6130.5173.1173.156.5000110.6Y106 V110 S115 Q116 R118 D168Y106-H108 HydrophobicContact CE2-CB 4.07Å; H108-V110 PolarHBondContact O-N 2.82Å; H108-S115 CarbonylContact O-C 3.53Å; H108-S115 WeakPolarHBondContact O-CA 3.18Å; H108-S115 WeakPolarHBondContact O-CB 3.44Å; H108-Q116 PolarHBondContact N-O 3.16Å; H108-Q116 PolarHBondContact O-N 2.97Å; H108-R118 HydrophobicContact CB-CB 4.27Å; H108-D168 IonicContact CE1-OD2 3.28Å; H108-D168 IonicContact CG-OD2 2.65Å; H108-D168 IonicContact ND1-OD1 2.82Å; H108-D168 PolarHBondContact ND1-OD1 2.91Å; H108-D168 IonicContact ND1-OD2 2.96Å; H108-D168 PolarHBondContact ND1-OD2 3.13Å
109H95Very high93.2Very high52 Ų5247.8 Ų47.824%0.24125%0.25CS..EExtended strand (participates in β ladder)trans-76.2104.8175.4173-86.7000110.6N111 D168 T171 A172H109-N111 VanDerWaalsContact NE2-C 3.27Å; H109-N111 PolarHBondContact NE2-O 3.42Å; H109-D168 WeakPolarHBondContact CB-OD1 3.49Å; H109-D168 PolarHBondContact N-OD1 3.06Å; H109-T171 HydrophobicContact CB-CG2 4.01Å; H109-A172 HydrophobicContact CB-CB 4.05Å
110V93.7Very high93.2Very high74 Ų7449.7 Ų49.745%0.44826%0.259SS..  trans-82-49.8173.7-179.10000110.3H108 S114 Q116H108-V110 PolarHBondContact O-N 2.82Å; V110-S114 WeakPolarHBondContact CB-O 3.14Å; V110-S114 PolarHBondContact N-O 2.9Å; V110-Q116 HydrophobicContact CG2-CB 3.99Å
111N91.4Very high93.2Very high70 Ų7051.5 Ų51.537%0.37427%0.266SS..SBendtrans-159.7180174.86258.1000109.8H109 L113 S114H109-N111 VanDerWaalsContact NE2-C 3.27Å; H109-N111 PolarHBondContact NE2-O 3.42Å; N111-L113 PolarHBondContact O-N 3.38Å; N111-L113 WeakPolarHBondContact OD1-CA 3.48Å; N111-L113 PolarHBondContact OD1-N 3.48Å; N111-S114 VanDerWaalsContact CG-OG 3.28Å; N111-S114 PolarHBondContact N-O 3.11Å; N111-S114 VanDerWaalsContact N-O 3.14Å; N111-S114 PolarHBondContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 3.49Å; N111-S114 PolarHBondContact OD1-N 2.8Å; N111-S114 PolarHBondContact OD1-OG 3.33Å
112S85.3Confident93.1Very high79 Ų7950.6 Ų50.655%0.55226%0.262SS*.SBendtrans-61.4-17-175.8-49.10000115.7T179S112-T179 PolarHBondContact O-OG1 2.86Å
113L84.2Confident92.9Very high149 Ų14950.6 Ų50.678%0.7826%0.262SS*.SBendtrans-107-26.1-179-67.2170.8000113N111 T179N111-L113 PolarHBondContact O-N 3.38Å; N111-L113 WeakPolarHBondContact OD1-CA 3.48Å; N111-L113 PolarHBondContact OD1-N 3.48Å; L113-T179 HydrophobicContact CD2-CG2 4.4Å
114S89Confident92.6Very high51 Ų5148.4 Ų48.436%0.35725%0.254SS..  trans-129.8131.2-173.566.20000112.2V110 N111V110-S114 WeakPolarHBondContact CB-O 3.14Å; V110-S114 PolarHBondContact N-O 2.9Å; N111-S114 VanDerWaalsContact CG-OG 3.28Å; N111-S114 PolarHBondContact N-O 3.11Å; N111-S114 VanDerWaalsContact N-O 3.14Å; N111-S114 PolarHBondContact ND2-OG 3.15Å; N111-S114 PolarHBondContact O-N 3.49Å; N111-S114 PolarHBondContact OD1-N 2.8Å; N111-S114 PolarHBondContact OD1-OG 3.33Å
115S91.4Very high92Very high47 Ų4749 Ų4933%0.32926%0.257SS..EExtended strand (participates in β ladder)trans-115.6149.516462.30000109.8H108H108-S115 CarbonylContact O-C 3.53Å; H108-S115 WeakPolarHBondContact O-CA 3.18Å; H108-S115 WeakPolarHBondContact O-CB 3.44Å
116Q93.1Very high91.1Very high126 Ų12652.3 Ų52.359%0.58928%0.28SS*.EExtended strand (participates in β ladder)trans-114.3133.9177.5-175.3174.34.200110N107 H108 V110 R118N107-Q116 CarbonylContact C-O 3.52Å; N107-Q116 WeakPolarHBondContact CA-O 3.38Å; H108-Q116 PolarHBondContact N-O 3.16Å; H108-Q116 PolarHBondContact O-N 2.97Å; V110-Q116 HydrophobicContact CG2-CB 3.99Å; Q116-R118 PolarHBondContact O-N 3.39Å
117F95.2Very high89.9Confident39 Ų3958 Ų5817%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-64.4126.1170.2170.6-109000109.5I29 Q32 C105 V119I29-F117 HydrophobicContact CD1-CD2 3.35Å; I29-F117 HydrophobicContact CD1-CE2 3.34Å; Q32-F117 HydrophobicContact CB-CD1 3.69Å; Q32-F117 HydrophobicContact CB-CD2 4.02Å; Q32-F117 HydrophobicContact CB-CE1 3.65Å; Q32-F117 HydrophobicContact CB-CE2 3.99Å; Q32-F117 HydrophobicContact CB-CG 3.85Å; Q32-F117 HydrophobicContact CB-CZ 3.79Å; Q32-F117 VanDerWaalsContact CD-CB 3.45Å; Q32-F117 HydrophobicContact CG-CD1 4.2Å; Q32-F117 HydrophobicContact CG-CG 4.33Å; Q32-F117 VanDerWaalsContact NE2-CB 3.3Å; C105-F117 HydrophobicContact CB-CE2 4.12Å; F117-V119 HydrophobicContact CD1-CG2 4.34Å; F117-V119 HydrophobicContact CE1-CG2 3.42Å; F117-V119 VanDerWaalsContact CE1-CG2 3.42Å; F117-V119 HydrophobicContact CE2-CG2 4.02Å; F117-V119 HydrophobicContact CZ-CG2 3.23Å
118R94.5Very high88.9Confident118 Ų11862.8 Ų62.845%0.44534%0.336SS..EExtended strand (participates in β ladder)trans-127.5138.2179-158.7176.6177.9-172.1-3109.3C105 Y106 H108 Q116 E120C105-R118 WeakPolarHBondContact CA-O 3.15Å; Y106-R118 HydrophobicContact CE1-CB 4.25Å; Y106-R118 PolarHBondContact N-O 2.93Å; Y106-R118 PolarHBondContact O-N 3.35Å; H108-R118 HydrophobicContact CB-CB 4.27Å; Q116-R118 PolarHBondContact O-N 3.39Å; R118-E120 WeakPolarHBondContact CD-OE1 3.19Å; R118-E120 HydrophobicContact CG-CG 3.87Å; R118-E120 IonicContact CZ-OE1 2.87Å; R118-E120 IonicContact NE-OE1 3.32Å; R118-E120 PolarHBondContact NE-OE1 3.3Å; R118-E120 IonicContact NH1-OE1 2.64Å; R118-E120 PolarHBondContact NH1-OE1 3.1Å; R118-E120 IonicContact NH2-OE1 3.67Å; R118-E120 PolarHBondContact NH2-OE1 3.1Å
119V95.2Very high87.6Confident53 Ų5363.8 Ų63.832%0.32134%0.343SS..EExtended strand (participates in β ladder)trans-117.7108.3171.7-175.80000105.9M36 Y103 V104 F117M36-V119 HydrophobicContact SD-CB 4.44Å; M36-V119 HydrophobicContact SD-CG1 3.88Å; M36-V119 HydrophobicContact SD-CG2 3.75Å; Y103-V119 HydrophobicContact CD1-CG1 3.79Å; Y103-V119 HydrophobicContact CG-CG1 4.15Å; V104-V119 WeakPolarHBondContact O-CA 3.42Å; F117-V119 HydrophobicContact CD1-CG2 4.34Å; F117-V119 HydrophobicContact CE1-CG2 3.42Å; F117-V119 VanDerWaalsContact CE1-CG2 3.42Å; F117-V119 HydrophobicContact CE2-CG2 4.02Å; F117-V119 HydrophobicContact CZ-CG2 3.23Å
120E92.7Very high86.5Confident39 Ų3966.6 Ų66.618%0.18237%0.366CS..EExtended strand (participates in β ladder)trans-109.9132.6-177.9-75.2-171.9-161.400110.7Y103 V104 Y106 R118 M122Y103-E120 CarbonylContact C-O 3.57Å; Y103-E120 WeakPolarHBondContact CA-O 3.28Å; V104-E120 PolarHBondContact N-O 2.86Å; V104-E120 PolarHBondContact O-N 2.91Å; Y106-E120 HydrophobicContact CE1-CG 4.14Å; Y106-E120 PolarHBondContact OH-OE1 3.24Å; R118-E120 WeakPolarHBondContact CD-OE1 3.19Å; R118-E120 HydrophobicContact CG-CG 3.87Å; R118-E120 IonicContact CZ-OE1 2.87Å; R118-E120 IonicContact NE-OE1 3.32Å; R118-E120 PolarHBondContact NE-OE1 3.3Å; R118-E120 IonicContact NH1-OE1 2.64Å; R118-E120 PolarHBondContact NH1-OE1 3.1Å; R118-E120 IonicContact NH2-OE1 3.67Å; R118-E120 PolarHBondContact NH2-OE1 3.1Å; E120-M122 HydrophobicContact CB-CE 3.57Å; E120-M122 HydrophobicContact CG-CE 4.49Å; E120-M122 PolarHBondContact O-N 2.78Å; E120-M122 WeakPolarHBondContact OE2-CE 3.29Å
121K92.3Very high85.3Confident51 Ų5167.7 Ų67.722%0.22238%0.377CS..EExtended strand (participates in β ladder)trans-78.1118173.1-170.2174.1-174161.60109.6E101 Y103E101-K121 VanDerWaalsContact CD-NZ 3.27Å; E101-K121 IonicContact OE1-NZ 2.73Å; E101-K121 PolarHBondContact OE1-NZ 3.07Å; E101-K121 IonicContact OE2-NZ 2.68Å; Y103-K121 HydrophobicContact CD1-CB 3.92Å; Y103-K121 HydrophobicContact CD1-CG 4.39Å; Y103-K121 HydrophobicContact CE1-CB 3.61Å; Y103-K121 HydrophobicContact CE1-CD 4.23Å; Y103-K121 HydrophobicContact CE1-CG 3.91Å
122M90.7Very high84.3Confident2 Ų271.9 Ų71.91%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-97-37.3178.7-62.3-57.8168.300112.4L102 V104 E120 L161 I162 A165L102-M122 HydrophobicContact CD2-CB 3.98Å; L102-M122 HydrophobicContact CG-CB 4.26Å; L102-M122 PolarHBondContact O-N 2.94Å; V104-M122 HydrophobicContact CB-CE 3.72Å; V104-M122 HydrophobicContact CB-CG 4.19Å; V104-M122 HydrophobicContact CG2-CE 3.72Å; V104-M122 HydrophobicContact CG2-CG 3.36Å; V104-M122 HydrophobicContact CG2-SD 4.32Å; E120-M122 HydrophobicContact CB-CE 3.57Å; E120-M122 HydrophobicContact CG-CE 4.49Å; E120-M122 PolarHBondContact O-N 2.78Å; E120-M122 WeakPolarHBondContact OE2-CE 3.29Å; M122-L161 HydrophobicContact SD-CB 3.7Å; M122-L161 HydrophobicContact SD-CD1 4.35Å; M122-I162 HydrophobicContact CB-CG1 4.42Å; M122-I162 HydrophobicContact CG-CG1 4.11Å; M122-A165 HydrophobicContact CE-CB 4.06Å
123L89.4Confident83.3Confident0 Ų071.1 Ų71.10%039%0.393CS..EExtended strand (participates in β ladder)trans-138.3145.6179.4-61.9171.4000110.9M1 Y94 E101 L102 I125 A158M1-L123 HydrophobicContact CG-CD2 4.22Å; M1-L123 HydrophobicContact SD-CD2 4.35Å; Y94-L123 HydrophobicContact CD1-CD1 4.1Å; Y94-L123 HydrophobicContact CD2-CB 3.85Å; Y94-L123 HydrophobicContact CD2-CD1 4Å; Y94-L123 HydrophobicContact CE2-CB 3.75Å; Y94-L123 HydrophobicContact CG-CB 4.32Å; Y94-L123 HydrophobicContact CG-CD1 3.7Å; E101-L123 CarbonylContact C-O 3.47Å; E101-L123 VanDerWaalsContact CA-O 3.31Å; E101-L123 WeakPolarHBondContact CA-O 3.37Å; L102-L123 HydrophobicContact CB-CB 3.83Å; L102-L123 HydrophobicContact CB-CD1 4.33Å; L102-L123 HydrophobicContact CB-CG 4.3Å; L102-L123 HydrophobicContact CD2-CD1 3.89Å; L102-L123 HydrophobicContact CD2-CG 4.2Å; L102-L123 PolarHBondContact N-O 3.16Å; L102-L123 PolarHBondContact O-N 3.01Å; L123-I125 HydrophobicContact CD2-CG1 4.23Å; L123-A158 HydrophobicContact CD2-CB 3.81Å
124P89.2Confident82.5Confident4 Ų470.9 Ų70.93%0.02639%0.388CS..SBendcis-57.5152.2-18.126.6-34.7000111.2M1 S126M1-P124 WeakPolarHBondContact O-CA 3.47Å; M1-P124 WeakPolarHBondContact O-CB 3.34Å; P124-S126 PolarHBondContact O-N 3.43Å
125I83.7Confident81.2Confident14 Ų1474.8 Ų74.87%0.07241%0.409CS..  trans-7197.4176.3-60.8154.2000107M1 L2 L123 L128 L154 Y157M1-I125 PolarHBondContact O-N 3.18Å; M1-I125 VanDerWaalsContact O-N 3.1Å; L2-I125 HydrophobicContact CD2-CB 4.14Å; L123-I125 HydrophobicContact CD2-CG1 4.23Å; I125-L128 HydrophobicContact CG2-CD1 3.84Å; I125-L128 HydrophobicContact CG2-CD2 4.12Å; I125-L128 HydrophobicContact CG2-CG 3.75Å; I125-L154 HydrophobicContact CD1-CD2 3.84Å; I125-Y157 HydrophobicContact CD1-CD1 3.66Å; I125-Y157 HydrophobicContact CD1-CE1 4.28Å; I125-Y157 HydrophobicContact CG1-CD1 4.2Å; I125-Y157 HydrophobicContact CG1-CE1 4.38Å; I125-Y157 HydrophobicContact CG2-CD1 4.36Å; I125-Y157 HydrophobicContact CG2-CE1 3.89Å
126S77.1Confident80Confident68 Ų6879.9 Ų79.948%0.47642%0.423SS..  trans-103.3-22.6-178.152.30000113.8P124 L128P124-S126 PolarHBondContact O-N 3.43Å; S126-L128 PolarHBondContact O-N 3.48Å; S126-L128 VanDerWaalsContact O-N 3.12Å
127D71.8Confident78.4Confident125 Ų12585.4 Ų85.467%0.66844%0.438SS*.  trans-91.730.4-165.4-62.5-0.1000112.4D129D127-D129 PolarHBondContact O-N 2.9Å
128L75.2Confident77.4Confident101 Ų10190.5 Ų90.553%0.52946%0.462SS..  trans-81.995.4173-63.7172000108.3L2 I125 S126 P130L2-L128 HydrophobicContact CD2-CD1 4.18Å; I125-L128 HydrophobicContact CG2-CD1 3.84Å; I125-L128 HydrophobicContact CG2-CD2 4.12Å; I125-L128 HydrophobicContact CG2-CG 3.75Å; S126-L128 PolarHBondContact O-N 3.48Å; S126-L128 VanDerWaalsContact O-N 3.12Å; L128-P130 VanDerWaalsContact O-CD 3.28Å; L128-P130 WeakPolarHBondContact O-CD 3.15Å
129D70.2Confident76.5Confident78 Ų7894.1 Ų94.142%0.41749%0.485SS..  trans-80.6114.3172.3-173-3.8000110.3D127 S131 E132D127-D129 PolarHBondContact O-N 2.9Å; D129-S131 PolarHBondContact O-N 2.83Å; D129-S131 VanDerWaalsContact O-N 3.11Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.19Å; D129-S131 PolarHBondContact OD1-OG 3.43Å; D129-S131 PolarHBondContact OD2-OG 3.45Å; D129-E132 HydrophobicContact CB-CG 4.12Å; D129-E132 PolarHBondContact O-N 3.35Å; D129-E132 VanDerWaalsContact O-N 3.12Å
130P71Confident76Confident110 Ų11098.9 Ų98.971%0.71450%0.498SS*.THydrogen-bonded Turntrans-59.8-20.6174.5-20.834000113.3L128 E132 A133L128-P130 VanDerWaalsContact O-CD 3.28Å; L128-P130 WeakPolarHBondContact O-CD 3.15Å; P130-E132 VanDerWaalsContact C-N 3.29Å; P130-A133 WeakPolarHBondContact O-CB 3.47Å; P130-A133 PolarHBondContact O-N 2.94Å
131S69.5Low75.6Confident98 Ų98105.7 Ų105.769%0.68553%0.534SS*.THydrogen-bonded Turntrans-71.2-24.8178.492.90000113.1D129 A133D129-S131 PolarHBondContact O-N 2.83Å; D129-S131 VanDerWaalsContact O-N 3.11Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.19Å; D129-S131 PolarHBondContact OD1-OG 3.43Å; D129-S131 PolarHBondContact OD2-OG 3.45Å; S131-A133 VanDerWaalsContact C-N 3.34Å
132E68.8Low75.4Confident158 Ų158108 Ų10874%0.73855%0.545SS*.THydrogen-bonded Turntrans-82.9-14174.1-64.5-170.6165.600112.5D129 P130 Q134D129-E132 HydrophobicContact CB-CG 4.12Å; D129-E132 PolarHBondContact O-N 3.35Å; D129-E132 VanDerWaalsContact O-N 3.12Å; P130-E132 VanDerWaalsContact C-N 3.29Å; E132-Q134 PolarHBondContact O-N 3.47Å; E132-Q134 VanDerWaalsContact O-N 3.15Å
133A66.1Low75.1Confident63 Ų63116.5 Ų116.552%0.52158%0.584SS.*SBendtrans-68.1115.1178.200000110.1P130 S131 T135P130-A133 WeakPolarHBondContact O-CB 3.47Å; P130-A133 PolarHBondContact O-N 2.94Å; S131-A133 VanDerWaalsContact C-N 3.34Å; A133-T135 PolarHBondContact O-N 3Å; A133-T135 VanDerWaalsContact O-N 3.13Å
134Q67.1Low75Confident143 Ų143121.7 Ų121.767%0.66862%0.618SS**  trans-64.3116.3163.7-73.4-172.26.500108.2E132 Y136E132-Q134 PolarHBondContact O-N 3.47Å; E132-Q134 VanDerWaalsContact O-N 3.15Å; Q134-Y136 VanDerWaalsContact C-N 3.32Å; Q134-Y136 HydrophobicContact CB-CE2 3.99Å; Q134-Y136 WeakPolarHBondContact O-CD2 3Å; Q134-Y136 PolarHBondContact O-N 2.82Å
135T62.2Low75.1Confident133 Ų133123.5 Ų123.582%0.81663%0.631SS**  trans-66.392.7175-51.10000109.4A133A133-T135 PolarHBondContact O-N 3Å; A133-T135 VanDerWaalsContact O-N 3.13Å
136Y64.4Low75.3Confident154 Ų154128.1 Ų128.160%0.60465%0.65SS**  trans-69.6128.7165-64-81000108.1Q134 E138Q134-Y136 VanDerWaalsContact C-N 3.32Å; Q134-Y136 HydrophobicContact CB-CE2 3.99Å; Q134-Y136 WeakPolarHBondContact O-CD2 3Å; Q134-Y136 PolarHBondContact O-N 2.82Å; Y136-E138 PolarHBondContact O-N 2.68Å
137R59.8Low75.9Confident242 Ų242130.6 Ų130.691%0.91365%0.654SS**  trans-78.30.3178-73.4-175.3179.7170.80.5113.3
138E75.3Confident76.7Confident146 Ų146126.4 Ų126.468%0.68264%0.637SS**PPolyproline II helixtrans-87.9123.1-177.2-62.1-174.7-179.100109.7Y136Y136-E138 PolarHBondContact O-N 2.68Å
139E76.3Confident77.4Confident195 Ų195124.2 Ų124.291%0.91163%0.626SS**PPolyproline II helixtrans-79.4121.8170.6-68.3-177.1175.200108.9
140Y83Confident78.2Confident153 Ų153123.5 Ų123.560%0.662%0.621SS**PPolyproline II helixtrans-80.6131175.7-67.6-84.7000110.5F142Y140-F142 WeakPolarHBondContact O-CE2 3.32Å
141L84.6Confident79Confident181 Ų181123.9 Ų123.995%0.94862%0.617SS**PPolyproline II helixtrans-81.4123.5162.4-111.1120.8000108.6
142F87.9Confident79.8Confident101 Ų101125.5 Ų125.544%0.44361%0.614SS.*PPolyproline II helixtrans-97.3127.7-177.9-57.6-72.3000110.7Y140 K146 I149Y140-F142 WeakPolarHBondContact O-CE2 3.32Å; F142-K146 HydrophobicContact CD2-CB 4.11Å; F142-K146 HydrophobicContact CE2-CB 4.41Å; F142-K146 HydrophobicContact CE2-CD 4.46Å; F142-K146 HydrophobicContact CE2-CG 4.47Å; F142-K146 HydrophobicContact CG-CB 4.16Å; F142-K146 HydrophobicContact CZ-CG 4.43Å; F142-I149 HydrophobicContact CB-CD1 3.85Å; F142-I149 HydrophobicContact CD1-CD1 3.71Å; F142-I149 HydrophobicContact CG-CD1 4.26Å
143E85.6Confident80.7Confident180 Ų180122.5 Ų122.584%0.84160%0.602SS**SBendtrans-132.6121.5170.2-172.5174.1-176.100107.6
144P87.4Confident81.6Confident108 Ų108120.7 Ų120.770%0.70158%0.584SS**SBendcis-85.4-33.28.631-32.8000115.8A148P144-A148 HydrophobicContact CG-CB 3.77Å
145S89.8Confident82.5Confident42 Ų42115.1 Ų115.129%0.29456%0.56SS.*  trans-157.9164.7168.487.90000109.7E147 A148 I149S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 2.73Å; S145-E147 PolarHBondContact OG-N 3.13Å; S145-E147 PolarHBondContact OG-OE2 3.48Å; S145-A148 PolarHBondContact O-N 2.95Å; S145-A148 PolarHBondContact OG-N 2.63Å; S145-I149 VanDerWaalsContact O-CG1 3.31Å; S145-I149 WeakPolarHBondContact O-CG1 3.49Å; S145-I149 PolarHBondContact O-N 3.38Å
146K89.1Confident83.7Confident112 Ų112113.5 Ų113.549%0.48754%0.543SS..Hα-helixtrans-59.8-43177.2-178.6-178.7176.5-178.50111.6F142 I149 L150F142-K146 HydrophobicContact CD2-CB 4.11Å; F142-K146 HydrophobicContact CE2-CB 4.41Å; F142-K146 HydrophobicContact CE2-CD 4.46Å; F142-K146 HydrophobicContact CE2-CG 4.47Å; F142-K146 HydrophobicContact CG-CB 4.16Å; F142-K146 HydrophobicContact CZ-CG 4.43Å; K146-I149 PolarHBondContact O-N 3.18Å; K146-L150 HydrophobicContact CG-CD1 4.15Å; K146-L150 WeakPolarHBondContact O-CG 3.34Å; K146-L150 PolarHBondContact O-N 2.97Å
147E88.8Confident84.8Confident119 Ų119110.8 Ų110.856%0.55653%0.533SS*.Hα-helixtrans-63.9-47.2-180-60.869.7-150.200110.6S145 I149 L150 D151S145-E147 VanDerWaalsContact C-N 3.31Å; S145-E147 PolarHBondContact O-N 2.73Å; S145-E147 PolarHBondContact OG-N 3.13Å; S145-E147 PolarHBondContact OG-OE2 3.48Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.69Å; E147-L150 PolarHBondContact O-N 3.42Å; E147-L150 VanDerWaalsContact O-N 3.16Å; E147-D151 VanDerWaalsContact O-CG 3.32Å; E147-D151 PolarHBondContact O-N 3.22Å
148A89.2Confident86.1Confident38 Ų3899.2 Ų99.231%0.31449%0.489SS..Hα-helixtrans-62.9-37.717900000112.6P144 S145 Q152P144-A148 HydrophobicContact CG-CB 3.77Å; S145-A148 PolarHBondContact O-N 2.95Å; S145-A148 PolarHBondContact OG-N 2.63Å; A148-Q152 PolarHBondContact O-N 2.87Å
149I90.4Very high86.7Confident55 Ų5593.6 Ų93.628%0.28246%0.463SS..Hα-helixtrans-66.5-44.9174.6-67.9165.2000110.3F142 S145 K146 E147 D151 Q152 L153F142-I149 HydrophobicContact CB-CD1 3.85Å; F142-I149 HydrophobicContact CD1-CD1 3.71Å; F142-I149 HydrophobicContact CG-CD1 4.26Å; S145-I149 VanDerWaalsContact O-CG1 3.31Å; S145-I149 WeakPolarHBondContact O-CG1 3.49Å; S145-I149 PolarHBondContact O-N 3.38Å; K146-I149 PolarHBondContact O-N 3.18Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.69Å; I149-D151 VanDerWaalsContact C-N 3.35Å; I149-D151 PolarHBondContact O-N 2.67Å; I149-Q152 PolarHBondContact O-N 3.21Å; I149-L153 VanDerWaalsContact O-CB 3.23Å; I149-L153 WeakPolarHBondContact O-CB 3.23Å; I149-L153 PolarHBondContact O-N 3.43Å
150L87.2Confident87.3Confident63 Ų6387 Ų8733%0.3344%0.438SS..Hα-helixtrans-62.7-40.8177.6-75.8171.8000112K146 E147 Q152 L153 L154K146-L150 HydrophobicContact CG-CD1 4.15Å; K146-L150 WeakPolarHBondContact O-CG 3.34Å; K146-L150 PolarHBondContact O-N 2.97Å; E147-L150 PolarHBondContact O-N 3.42Å; E147-L150 VanDerWaalsContact O-N 3.16Å; L150-Q152 PolarHBondContact O-N 3.43Å; L150-L153 PolarHBondContact O-N 3.3Å; L150-L154 HydrophobicContact CB-CD1 4.48Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 2.93Å
151D86.2Confident87.7Confident118 Ų11882.2 Ų82.263%0.63142%0.423SS*.Hα-helixtrans-60.7-31.4177-73.7-22000112.2E147 I149 P155E147-D151 VanDerWaalsContact O-CG 3.32Å; E147-D151 PolarHBondContact O-N 3.22Å; I149-D151 VanDerWaalsContact C-N 3.35Å; I149-D151 PolarHBondContact O-N 2.67Å; D151-P155 WeakPolarHBondContact O-CD 3.43Å; D151-P155 WeakPolarHBondContact O-CG 3.07Å
152Q86.4Confident88Confident131 Ų13173.6 Ų73.661%0.61238%0.378SS*.Hα-helixtrans-84.8-36.1174.6-173.1175.82.400113.1A148 I149 L150 Q156A148-Q152 PolarHBondContact O-N 2.87Å; I149-Q152 PolarHBondContact O-N 3.21Å; L150-Q152 PolarHBondContact O-N 3.43Å; Q152-Q156 WeakPolarHBondContact O-CG 3.48Å
153L88.1Confident88.2Confident95 Ų9572 Ų7250%0.49737%0.369SS..Hα-helixtrans-77.5-37.5-174.5-17070.5000112.2I149 L150 Q156 Y157I149-L153 VanDerWaalsContact O-CB 3.23Å; I149-L153 WeakPolarHBondContact O-CB 3.23Å; I149-L153 PolarHBondContact O-N 3.43Å; L150-L153 PolarHBondContact O-N 3.3Å; L153-Q156 PolarHBondContact O-N 2.82Å; L153-Y157 WeakPolarHBondContact O-CB 3.13Å; L153-Y157 PolarHBondContact O-N 3.14Å
154L85.9Confident88.6Confident25 Ų2565.2 Ų65.213%0.13135%0.348CS..Hα-helixtrans-60.8-45.5-177.6-71.8169.2000112.6M1 L2 I125 L150 Y157 A158M1-L154 HydrophobicContact CB-CB 4.21Å; M1-L154 HydrophobicContact CB-CD1 4.31Å; M1-L154 HydrophobicContact SD-CB 3.7Å; L2-L154 HydrophobicContact CD1-CD1 3.92Å; L2-L154 HydrophobicContact CD1-CD2 4.22Å; L2-L154 HydrophobicContact CD2-CD2 3.92Å; L2-L154 HydrophobicContact CG-CD1 3.91Å; L2-L154 HydrophobicContact CG-CD2 4.02Å; I125-L154 HydrophobicContact CD1-CD2 3.84Å; L150-L154 HydrophobicContact CB-CD1 4.48Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 2.93Å; L154-Y157 PolarHBondContact O-N 3.33Å; L154-A158 PolarHBondContact O-N 2.89Å
155P84.9Confident88.9Confident26 Ų2660.2 Ų60.217%0.16932%0.316CS..Hα-helixtrans-55.6-54.4170.4-25.733.5000111.4M1 T91 D151 Y157 A158 E159M1-P155 HydrophobicContact CE-CB 4Å; M1-P155 HydrophobicContact CE-CG 3.77Å; M1-P155 HydrophobicContact SD-CB 4.49Å; M1-P155 HydrophobicContact SD-CG 4.07Å; M1-P155 VanDerWaalsContact SD-N 3.44Å; T91-P155 HydrophobicContact CG2-CB 4.3Å; D151-P155 WeakPolarHBondContact O-CD 3.43Å; D151-P155 WeakPolarHBondContact O-CG 3.07Å; P155-Y157 PolarHBondContact O-N 2.94Å; P155-A158 CarbonylContact O-C 3.55Å; P155-A158 WeakPolarHBondContact O-CA 3.39Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 3.1Å; P155-E159 WeakPolarHBondContact O-CG 3.34Å; P155-E159 PolarHBondContact O-N 3.48Å
156Q87Confident89.1Confident99 Ų9958.2 Ų58.246%0.46330%0.302SS..Hα-helixtrans-57.6-37.3-178.2-67.5179.924.600112.9Q152 L153 E159 S160Q152-Q156 WeakPolarHBondContact O-CG 3.48Å; L153-Q156 PolarHBondContact O-N 2.82Å; Q156-E159 WeakPolarHBondContact O-CB 3.38Å; Q156-E159 PolarHBondContact O-N 2.77Å; Q156-S160 WeakPolarHBondContact O-CB 3.06Å; Q156-S160 PolarHBondContact O-N 3.44Å
157Y88.2Confident89.4Confident97 Ų9755.5 Ų55.538%0.3829%0.294SS..Hα-helixtrans-65.2-49.1175-178.1-104.9000111.2I125 L153 L154 P155 E159 S160 L161I125-Y157 HydrophobicContact CD1-CD1 3.66Å; I125-Y157 HydrophobicContact CD1-CE1 4.28Å; I125-Y157 HydrophobicContact CG1-CD1 4.2Å; I125-Y157 HydrophobicContact CG1-CE1 4.38Å; I125-Y157 HydrophobicContact CG2-CD1 4.36Å; I125-Y157 HydrophobicContact CG2-CE1 3.89Å; L153-Y157 WeakPolarHBondContact O-CB 3.13Å; L153-Y157 PolarHBondContact O-N 3.14Å; L154-Y157 PolarHBondContact O-N 3.33Å; P155-Y157 PolarHBondContact O-N 2.94Å; Y157-E159 PolarHBondContact O-N 3.36Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 VanDerWaalsContact O-N 3.1Å; Y157-S160 PolarHBondContact O-OG 3.03Å; Y157-L161 HydrophobicContact CD1-CD1 3.98Å; Y157-L161 HydrophobicContact CD1-CG 4.4Å; Y157-L161 HydrophobicContact CE1-CD1 3.51Å; Y157-L161 HydrophobicContact CE1-CD2 4.46Å; Y157-L161 HydrophobicContact CE1-CG 4.06Å; Y157-L161 WeakPolarHBondContact O-CG 3.35Å; Y157-L161 PolarHBondContact O-N 3.33Å
158A86.7Confident89.7Confident0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-58.9-38.4173.700000111.7L123 L154 P155 S160 L161 I162L123-A158 HydrophobicContact CD2-CB 3.81Å; L154-A158 PolarHBondContact O-N 2.89Å; P155-A158 CarbonylContact O-C 3.55Å; P155-A158 WeakPolarHBondContact O-CA 3.39Å; P155-A158 WeakPolarHBondContact O-CB 3.49Å; P155-A158 PolarHBondContact O-N 3.1Å; A158-S160 VanDerWaalsContact C-N 3.34Å; A158-S160 PolarHBondContact O-N 3.36Å; A158-L161 PolarHBondContact O-N 3Å; A158-I162 WeakPolarHBondContact O-CG1 3.48Å; A158-I162 PolarHBondContact O-N 3.05Å; A158-I162 VanDerWaalsContact O-N 3.12Å
159E87.8Confident90.1Very high27 Ų2749.5 Ų49.513%0.12626%0.261CS..Hα-helixtrans-61.5-43.1175.3-57.3-153144.300111.9F80 V87 S88 P155 Q156 Y157 Y163F80-E159 HydrophobicContact CE2-CB 4.19Å; F80-E159 HydrophobicContact CZ-CB 3.98Å; F80-E159 WeakPolarHBondContact CZ-OE2 3.44Å; V87-E159 HydrophobicContact CG1-CB 3.28Å; V87-E159 HydrophobicContact CG1-CG 3.29Å; S88-E159 PolarHBondContact OG-OE1 3Å; P155-E159 WeakPolarHBondContact O-CG 3.34Å; P155-E159 PolarHBondContact O-N 3.48Å; Q156-E159 WeakPolarHBondContact O-CB 3.38Å; Q156-E159 PolarHBondContact O-N 2.77Å; Y157-E159 PolarHBondContact O-N 3.36Å; E159-Y163 WeakPolarHBondContact O-CB 3.42Å; E159-Y163 PolarHBondContact O-N 2.86Å
160S89.6Confident90.3Very high57 Ų5747.5 Ų47.540%0.39925%0.25SC..Hα-helixtrans-66.9-36.8178.376.60000113Q156 Y157 A158 Y163 G164Q156-S160 WeakPolarHBondContact O-CB 3.06Å; Q156-S160 PolarHBondContact O-N 3.44Å; Y157-S160 PolarHBondContact O-N 3.12Å; Y157-S160 VanDerWaalsContact O-N 3.1Å; Y157-S160 PolarHBondContact O-OG 3.03Å; A158-S160 VanDerWaalsContact C-N 3.34Å; A158-S160 PolarHBondContact O-N 3.36Å; S160-Y163 PolarHBondContact O-N 2.98Å; S160-G164 PolarHBondContact O-N 3.17Å
161L90.5Very high90.7Very high53 Ų5347.5 Ų47.528%0.27725%0.252SS..Hα-helixtrans-65.5-47.7177-71177.9000111.3M122 Y157 A158 Y163 G164 A165M122-L161 HydrophobicContact SD-CB 3.7Å; M122-L161 HydrophobicContact SD-CD1 4.35Å; Y157-L161 HydrophobicContact CD1-CD1 3.98Å; Y157-L161 HydrophobicContact CD1-CG 4.4Å; Y157-L161 HydrophobicContact CE1-CD1 3.51Å; Y157-L161 HydrophobicContact CE1-CD2 4.46Å; Y157-L161 HydrophobicContact CE1-CG 4.06Å; Y157-L161 WeakPolarHBondContact O-CG 3.35Å; Y157-L161 PolarHBondContact O-N 3.33Å; A158-L161 PolarHBondContact O-N 3Å; L161-Y163 VanDerWaalsContact C-N 3.31Å; L161-Y163 PolarHBondContact O-N 2.92Å; L161-G164 PolarHBondContact O-N 3.2Å; L161-A165 PolarHBondContact O-N 2.93Å
162I91Very high91.1Very high0 Ų041.9 Ų41.90%022%0.223CC..Hα-helixtrans-63.2-41.4177.6-61.9166.9000110.1I13 V87 L102 V104 M122 A158 A165 I166I13-I162 HydrophobicContact CD1-CD1 4.19Å; I13-I162 HydrophobicContact CD1-CG1 4.49Å; I13-I162 HydrophobicContact CD1-CG2 4.08Å; V87-I162 HydrophobicContact CG1-CD1 4.45Å; V87-I162 HydrophobicContact CG2-CB 4.06Å; V87-I162 HydrophobicContact CG2-CG2 3.74Å; L102-I162 HydrophobicContact CD2-CD1 3.95Å; V104-I162 HydrophobicContact CG2-CG1 4.34Å; M122-I162 HydrophobicContact CB-CG1 4.42Å; M122-I162 HydrophobicContact CG-CG1 4.11Å; A158-I162 WeakPolarHBondContact O-CG1 3.48Å; A158-I162 PolarHBondContact O-N 3.05Å; A158-I162 VanDerWaalsContact O-N 3.12Å; I162-A165 PolarHBondContact O-N 2.86Å; I162-I166 HydrophobicContact CG2-CD1 4.07Å; I162-I166 VanDerWaalsContact O-CG1 3.31Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 2.85Å
163Y92.6Very high91.6Very high67 Ų6736.5 Ų36.526%0.26320%0.198SC..Hα-helixtrans-61.3-43.7174.7179.1-122.5000112.3P78 F80 V83 E159 S160 L161 A165 I166 V167P78-Y163 WeakPolarHBondContact O-CE2 3.21Å; P78-Y163 PolarHBondContact O-OH 2.96Å; F80-Y163 HydrophobicContact CD2-CD1 4.01Å; F80-Y163 HydrophobicContact CD2-CD2 4.33Å; F80-Y163 AromaticContact CD2-CG 3.86Å; F80-Y163 HydrophobicContact CD2-CG 3.86Å; V83-Y163 HydrophobicContact CG2-CD2 3.45Å; V83-Y163 VanDerWaalsContact CG2-CD2 3.45Å; V83-Y163 HydrophobicContact CG2-CE2 4.11Å; V83-Y163 HydrophobicContact CG2-CG 4.25Å; E159-Y163 WeakPolarHBondContact O-CB 3.42Å; E159-Y163 PolarHBondContact O-N 2.86Å; S160-Y163 PolarHBondContact O-N 2.98Å; L161-Y163 VanDerWaalsContact C-N 3.31Å; L161-Y163 PolarHBondContact O-N 2.92Å; Y163-A165 VanDerWaalsContact C-N 3.33Å; Y163-A165 PolarHBondContact O-N 2.73Å; Y163-I166 WeakPolarHBondContact O-CB 3.39Å; Y163-I166 PolarHBondContact O-N 3Å; Y163-I166 VanDerWaalsContact O-N 3.13Å; Y163-V167 HydrophobicContact CD1-CG2 4.47Å; Y163-V167 HydrophobicContact CD2-CG2 4.04Å; Y163-V167 HydrophobicContact CE1-CG2 4.05Å; Y163-V167 HydrophobicContact CE2-CG2 3.62Å; Y163-V167 HydrophobicContact CG-CG2 4.48Å; Y163-V167 WeakPolarHBondContact O-CG2 3.49Å; Y163-V167 PolarHBondContact O-N 2.99Å
164G93.5Very high91.9Very high38 Ų3835.6 Ų35.639%0.39219%0.191SC..Hα-helixtrans-55.9-46.417500000112.3S160 L161 I166 V167 D168S160-G164 PolarHBondContact O-N 3.17Å; L161-G164 PolarHBondContact O-N 3.2Å; G164-I166 VanDerWaalsContact C-N 3.34Å; G164-I166 PolarHBondContact O-N 3.37Å; G164-V167 PolarHBondContact O-N 3.33Å; G164-D168 WeakPolarHBondContact O-CB 3.37Å; G164-D168 PolarHBondContact O-N 3.17Å
165A94.7Very high92.4Very high3 Ų334.8 Ų34.83%0.02519%0.187CC..Hα-helixtrans-62.7-37.417600000112.8I15 V104 Y106 M122 L161 I162 Y163 A169I15-A165 HydrophobicContact CD1-CB 4.43Å; V104-A165 HydrophobicContact CG1-CB 3.88Å; Y106-A165 HydrophobicContact CD1-CB 4.06Å; Y106-A165 HydrophobicContact CE1-CB 3.88Å; Y106-A165 HydrophobicContact CG-CB 4.47Å; M122-A165 HydrophobicContact CE-CB 4.06Å; L161-A165 PolarHBondContact O-N 2.93Å; I162-A165 PolarHBondContact O-N 2.86Å; Y163-A165 VanDerWaalsContact C-N 3.33Å; Y163-A165 PolarHBondContact O-N 2.73Å; A165-A169 VanDerWaalsContact O-CB 3.24Å; A165-A169 WeakPolarHBondContact O-CB 3.35Å; A165-A169 PolarHBondContact O-N 2.65Å
166I94.3Very high92.8Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-65-44.6175.5-67164.9000111.4I15 I52 L74 P78 V83 I162 Y163 G164 A169 K170I15-I166 HydrophobicContact CD1-CB 4.41Å; I15-I166 HydrophobicContact CD1-CG1 3.71Å; I52-I166 HydrophobicContact CD1-CD1 3.66Å; I52-I166 HydrophobicContact CD1-CG1 3.8Å; L74-I166 HydrophobicContact CD2-CG2 3.68Å; P78-I166 HydrophobicContact CG-CG2 4.13Å; V83-I166 HydrophobicContact CB-CD1 3.81Å; V83-I166 HydrophobicContact CG1-CD1 3.67Å; V83-I166 HydrophobicContact CG1-CG2 4.08Å; V83-I166 HydrophobicContact CG2-CD1 4.36Å; I162-I166 HydrophobicContact CG2-CD1 4.07Å; I162-I166 VanDerWaalsContact O-CG1 3.31Å; I162-I166 WeakPolarHBondContact O-CG1 3.26Å; I162-I166 PolarHBondContact O-N 2.85Å; Y163-I166 WeakPolarHBondContact O-CB 3.39Å; Y163-I166 PolarHBondContact O-N 3Å; Y163-I166 VanDerWaalsContact O-N 3.13Å; G164-I166 VanDerWaalsContact C-N 3.34Å; G164-I166 PolarHBondContact O-N 3.37Å; I166-A169 PolarHBondContact O-N 2.88Å; I166-K170 WeakPolarHBondContact O-CG 3.33Å; I166-K170 PolarHBondContact O-N 3.1Å
167V94.7Very high93.2Very high54 Ų5430.5 Ų30.533%0.32717%0.172SC..Hα-helixtrans-66.8-40.3179.4174.20000111.3Y163 G164 K170 T171Y163-V167 HydrophobicContact CD1-CG2 4.47Å; Y163-V167 HydrophobicContact CD2-CG2 4.04Å; Y163-V167 HydrophobicContact CE1-CG2 4.05Å; Y163-V167 HydrophobicContact CE2-CG2 3.62Å; Y163-V167 HydrophobicContact CG-CG2 4.48Å; Y163-V167 WeakPolarHBondContact O-CG2 3.49Å; Y163-V167 PolarHBondContact O-N 2.99Å; G164-V167 PolarHBondContact O-N 3.33Å; V167-K170 PolarHBondContact O-N 3.49Å; V167-T171 PolarHBondContact O-N 3.39Å; V167-T171 PolarHBondContact O-OG1 3.01Å
168D95.4Very high93.6Very high32 Ų3231.9 Ų31.917%0.17118%0.184CC..Hα-helixtrans-63.4-45.7174.8-171.66.5000111.2Y106 H108 H109 G164 K170 T171 A172Y106-D168 HydrophobicContact CE2-CB 3.89Å; Y106-D168 VanDerWaalsContact CE2-OD2 3.22Å; Y106-D168 WeakPolarHBondContact CE2-OD2 3.4Å; Y106-D168 PolarHBondContact OH-OD2 2.81Å; Y106-D168 VanDerWaalsContact OH-OD2 3.14Å; H108-D168 IonicContact CE1-OD2 3.28Å; H108-D168 IonicContact CG-OD2 2.65Å; H108-D168 IonicContact ND1-OD1 2.82Å; H108-D168 PolarHBondContact ND1-OD1 2.91Å; H108-D168 IonicContact ND1-OD2 2.96Å; H108-D168 PolarHBondContact ND1-OD2 3.13Å; H109-D168 WeakPolarHBondContact CB-OD1 3.49Å; H109-D168 PolarHBondContact N-OD1 3.06Å; G164-D168 WeakPolarHBondContact O-CB 3.37Å; G164-D168 PolarHBondContact O-N 3.17Å; D168-K170 VanDerWaalsContact C-N 3.35Å; D168-K170 PolarHBondContact O-N 3.36Å; D168-T171 WeakPolarHBondContact O-CA 3.38Å; D168-T171 WeakPolarHBondContact O-CB 3.29Å; D168-T171 PolarHBondContact O-N 2.99Å; D168-T171 VanDerWaalsContact O-N 3.09Å; D168-A172 PolarHBondContact O-N 3.49Å
169A96.1Very high93.9Very high0 Ų034.1 Ų34.10%020%0.198CC..Hα-helixtrans-59.1-42.5173.900000112.6I15 Y25 Y106 A165 I166 T171 A172 E173I15-A169 HydrophobicContact CB-CB 4.12Å; I15-A169 HydrophobicContact CD1-CB 4.31Å; I15-A169 HydrophobicContact CG2-CB 3.57Å; Y25-A169 PolarHBondContact OH-O 3.01Å; Y25-A169 VanDerWaalsContact OH-O 3.11Å; Y106-A169 HydrophobicContact CD2-CB 3.99Å; Y106-A169 HydrophobicContact CG-CB 4.45Å; A165-A169 VanDerWaalsContact O-CB 3.24Å; A165-A169 WeakPolarHBondContact O-CB 3.35Å; A165-A169 PolarHBondContact O-N 2.65Å; I166-A169 PolarHBondContact O-N 2.88Å; A169-T171 VanDerWaalsContact C-N 3.3Å; A169-T171 PolarHBondContact O-N 3.29Å; A169-A172 PolarHBondContact O-N 3.17Å; A169-E173 WeakPolarHBondContact O-CB 3.13Å; A169-E173 PolarHBondContact O-N 3.09Å
170K95Very high94.3Very high12 Ų1234 Ų345%0.05220%0.201CC..Hα-helixtrans-62.9-37.1174.7-81.5-73.6175.2-165.30112.2S75 P78 I166 V167 D168 E173 H174S75-K170 WeakPolarHBondContact O-CE 3.41Å; P78-K170 HydrophobicContact CG-CG 4.11Å; I166-K170 WeakPolarHBondContact O-CG 3.33Å; I166-K170 PolarHBondContact O-N 3.1Å; V167-K170 PolarHBondContact O-N 3.49Å; D168-K170 VanDerWaalsContact C-N 3.35Å; D168-K170 PolarHBondContact O-N 3.36Å; K170-E173 WeakPolarHBondContact CD-OE2 3.31Å; K170-E173 WeakPolarHBondContact CE-OE2 3.37Å; K170-E173 IonicContact NZ-OE1 2.87Å; K170-E173 IonicContact NZ-OE2 3.62Å; K170-E173 PolarHBondContact NZ-OE2 3.35Å; K170-E173 WeakPolarHBondContact O-CB 3.47Å; K170-E173 PolarHBondContact O-N 3.34Å; K170-H174 PolarHBondContact O-CD2 2.81Å; K170-H174 PolarHBondContact O-N 3.05Å
171T95.3Very high94.6Very high63 Ų6335.1 Ų35.139%0.38720%0.201SC..Hα-helixtrans-63.7-45.1174.4-54.90000110.9H109 V167 D168 A169 H174 A175H109-T171 HydrophobicContact CB-CG2 4.01Å; V167-T171 PolarHBondContact O-N 3.39Å; V167-T171 PolarHBondContact O-OG1 3.01Å; D168-T171 WeakPolarHBondContact O-CA 3.38Å; D168-T171 WeakPolarHBondContact O-CB 3.29Å; D168-T171 PolarHBondContact O-N 2.99Å; D168-T171 VanDerWaalsContact O-N 3.09Å; A169-T171 VanDerWaalsContact C-N 3.3Å; A169-T171 PolarHBondContact O-N 3.29Å; T171-H174 PolarHBondContact O-N 2.65Å; T171-A175 WeakPolarHBondContact O-CB 3.18Å; T171-A175 PolarHBondContact O-N 3.33Å
172A96Very high94.8Very high1 Ų139.3 Ų39.31%0.00822%0.217CC..Hα-helixtrans-64.6-39.1175.100000112.7Y25 N107 H109 D168 A169 A175 A176Y25-A172 HydrophobicContact CE2-CB 3.9Å; N107-A172 HydrophobicContact CB-CB 4.15Å; N107-A172 WeakPolarHBondContact O-CB 3.47Å; H109-A172 HydrophobicContact CB-CB 4.05Å; D168-A172 PolarHBondContact O-N 3.49Å; A169-A172 PolarHBondContact O-N 3.17Å; A172-A175 PolarHBondContact O-N 2.78Å; A172-A176 VanDerWaalsContact O-CB 3.32Å; A172-A176 WeakPolarHBondContact O-CB 3.33Å; A172-A176 PolarHBondContact O-N 3.03Å
173E95.9Very high95Very high18 Ų1842.8 Ų42.88%0.08424%0.239CC..Hα-helixtrans-57.8-51175.2-178.8-175.2164.500111S17 V22 Y25 A169 K170 A176 G177S17-E173 WeakPolarHBondContact CB-OE1 3.43Å; V22-E173 HydrophobicContact CG1-CG 3.96Å; Y25-E173 HydrophobicContact CE1-CB 4.07Å; Y25-E173 HydrophobicContact CE1-CG 4.26Å; Y25-E173 HydrophobicContact CE2-CB 4.17Å; A169-E173 WeakPolarHBondContact O-CB 3.13Å; A169-E173 PolarHBondContact O-N 3.09Å; K170-E173 WeakPolarHBondContact CD-OE2 3.31Å; K170-E173 WeakPolarHBondContact CE-OE2 3.37Å; K170-E173 IonicContact NZ-OE1 2.87Å; K170-E173 IonicContact NZ-OE2 3.62Å; K170-E173 PolarHBondContact NZ-OE2 3.35Å; K170-E173 WeakPolarHBondContact O-CB 3.47Å; K170-E173 PolarHBondContact O-N 3.34Å; E173-A176 PolarHBondContact O-N 3Å; E173-G177 PolarHBondContact O-N 3.39Å
174H94.8Very high95.3Very high75 Ų7542 Ų4235%0.34725%0.246SC..Hα-helixtrans-65.9-41.1179.3-72.9-53.7000112.6D76 K170 T171 A176 G177 M178D76-H174 PolarHBondContact O-NE2 2.83Å; D76-H174 IonicContact OD1-CE1 3.45Å; D76-H174 PolarHBondContact OD1-CE1 3.22Å; D76-H174 IonicContact OD1-NE2 3.94Å; K170-H174 PolarHBondContact O-CD2 2.81Å; K170-H174 PolarHBondContact O-N 3.05Å; T171-H174 PolarHBondContact O-N 2.65Å; H174-A176 VanDerWaalsContact C-N 3.35Å; H174-A176 PolarHBondContact O-N 2.87Å; H174-G177 PolarHBondContact O-N 3.21Å; H174-M178 WeakPolarHBondContact O-CG 3.28Å; H174-M178 PolarHBondContact O-N 2.77Å
175A95.2Very high95.5Very high8 Ų844.8 Ų44.87%0.06626%0.256CS..Hα-helixtrans-60.5-44.1175.500000112T171 A172 M178 T179T171-A175 WeakPolarHBondContact O-CB 3.18Å; T171-A175 PolarHBondContact O-N 3.33Å; A172-A175 PolarHBondContact O-N 2.78Å; A175-M178 PolarHBondContact O-N 2.84Å; A175-T179 PolarHBondContact O-N 3Å; A175-T179 VanDerWaalsContact O-N 3.09Å; A175-T179 PolarHBondContact O-OG1 3.05Å; A175-T179 VanDerWaalsContact O-OG1 3.08Å
176A95.4Very high95.6Very high22 Ų2249.3 Ų49.318%0.18228%0.279CS..Hα-helixtrans-65.9-41.5176.200000112.1Y25 A172 E173 H174 T179 A180Y25-A176 HydrophobicContact CD2-CB 4.24Å; Y25-A176 HydrophobicContact CG-CB 4.4Å; A172-A176 VanDerWaalsContact O-CB 3.32Å; A172-A176 WeakPolarHBondContact O-CB 3.33Å; A172-A176 PolarHBondContact O-N 3.03Å; E173-A176 PolarHBondContact O-N 3Å; H174-A176 VanDerWaalsContact C-N 3.35Å; H174-A176 PolarHBondContact O-N 2.87Å; A176-T179 PolarHBondContact O-N 3.37Å; A176-A180 VanDerWaalsContact O-CB 3.31Å; A176-A180 WeakPolarHBondContact O-CB 3.21Å; A176-A180 PolarHBondContact O-N 3.21Å
177G95.2Very high95.8Very high13 Ų1354 Ų5413%0.13430%0.304CS..Hα-helixtrans-59.8-47.6174.500000113E173 H174 T179 A180 M181E173-G177 PolarHBondContact O-N 3.39Å; H174-G177 PolarHBondContact O-N 3.21Å; G177-T179 VanDerWaalsContact C-N 3.35Å; G177-T179 PolarHBondContact O-N 3.41Å; G177-A180 PolarHBondContact O-N 3.02Å; G177-M181 WeakPolarHBondContact O-CB 3.44Å; G177-M181 WeakPolarHBondContact O-CG 3.37Å; G177-M181 PolarHBondContact O-N 3.11Å
178M94.9Very high95.9Very high126 Ų12653.5 Ų53.562%0.62131%0.306SS*.Hα-helixtrans-59.5-45.2176.1-73.6-172.3-69.200111.8H174 A175 M181 K182H174-M178 WeakPolarHBondContact O-CG 3.28Å; H174-M178 PolarHBondContact O-N 2.77Å; A175-M178 PolarHBondContact O-N 2.84Å; M178-M181 PolarHBondContact O-N 2.67Å; M178-K182 WeakPolarHBondContact O-CB 3.39Å; M178-K182 PolarHBondContact O-N 2.9Å
179T94.4Very high96.1Very high48 Ų4853.4 Ų53.429%0.29431%0.312SS..Hα-helixtrans-65.5-42.5179.1-61.40000111.7S112 L113 A175 A176 G177 M181 K182 T183S112-T179 PolarHBondContact O-OG1 2.86Å; L113-T179 HydrophobicContact CD2-CG2 4.4Å; A175-T179 PolarHBondContact O-N 3Å; A175-T179 VanDerWaalsContact O-N 3.09Å; A175-T179 PolarHBondContact O-OG1 3.05Å; A175-T179 VanDerWaalsContact O-OG1 3.08Å; A176-T179 PolarHBondContact O-N 3.37Å; G177-T179 VanDerWaalsContact C-N 3.35Å; G177-T179 PolarHBondContact O-N 3.41Å; T179-M181 PolarHBondContact O-N 3.48Å; T179-K182 PolarHBondContact O-N 3.02Å; T179-T183 PolarHBondContact O-N 2.84Å; T179-T183 VanDerWaalsContact O-N 3.09Å; T179-T183 PolarHBondContact O-OG1 3.19Å; T179-T183 VanDerWaalsContact O-OG1 3.13Å
180A95Very high96.1Very high24 Ų2455.8 Ų55.820%0.19833%0.332CS..Hα-helixtrans-62.7-42.2176.900000112A176 G177 T183 A184A176-A180 VanDerWaalsContact O-CB 3.31Å; A176-A180 WeakPolarHBondContact O-CB 3.21Å; A176-A180 PolarHBondContact O-N 3.21Å; G177-A180 PolarHBondContact O-N 3.02Å; A180-T183 PolarHBondContact O-N 3.01Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 2.88Å
181M96.2Very high96.2Very high81 Ų8160 Ų6040%0.39935%0.354SS..Hα-helixtrans-69.7-37178.5-75.4-65.1158.600113.3L21 G177 M178 T179 A184 T185L21-M181 HydrophobicContact CB-CE 3.43Å; L21-M181 VanDerWaalsContact CB-CE 3.43Å; L21-M181 HydrophobicContact CD1-CE 3.64Å; L21-M181 HydrophobicContact CD2-CE 3.72Å; L21-M181 HydrophobicContact CG-CE 3.75Å; G177-M181 WeakPolarHBondContact O-CB 3.44Å; G177-M181 WeakPolarHBondContact O-CG 3.37Å; G177-M181 PolarHBondContact O-N 3.11Å; M178-M181 PolarHBondContact O-N 2.67Å; T179-M181 PolarHBondContact O-N 3.48Å; M181-A184 PolarHBondContact O-N 3.27Å; M181-T185 WeakPolarHBondContact O-CB 3.44Å; M181-T185 PolarHBondContact O-N 3.42Å; M181-T185 PolarHBondContact O-OG1 2.83Å
182K96.1Very high96.4Very high141 Ų14161.8 Ų61.861%0.61336%0.361SS*.Hα-helixtrans-59.4-51.2172.5-175.3-178.2176.7-175.60110.5M178 T179 A184 T185 D186M178-K182 WeakPolarHBondContact O-CB 3.39Å; M178-K182 PolarHBondContact O-N 2.9Å; T179-K182 PolarHBondContact O-N 3.02Å; K182-A184 VanDerWaalsContact C-N 3.3Å; K182-A184 PolarHBondContact O-N 2.79Å; K182-T185 WeakPolarHBondContact O-CB 3.43Å; K182-T185 PolarHBondContact O-N 3.4Å; K182-T185 VanDerWaalsContact O-N 3.09Å; K182-D186 PolarHBondContact O-N 3.15Å
183T95.2Very high96.5Very high73 Ų7366.7 Ų66.745%0.44839%0.387SS..Hα-helixtrans-59.8-39.5176.4-58.10000112.1T179 A180 T185 D186 N187T179-T183 PolarHBondContact O-N 2.84Å; T179-T183 VanDerWaalsContact O-N 3.09Å; T179-T183 PolarHBondContact O-OG1 3.19Å; T179-T183 VanDerWaalsContact O-OG1 3.13Å; A180-T183 PolarHBondContact O-N 3.01Å; T183-T185 VanDerWaalsContact C-N 3.33Å; T183-T185 PolarHBondContact O-N 3.43Å; T183-D186 PolarHBondContact O-N 3.4Å; T183-N187 WeakPolarHBondContact O-CB 3.22Å; T183-N187 PolarHBondContact O-N 3.43Å; T183-N187 PolarHBondContact O-ND2 2.86Å
184A97.4Very high96.5Very high51 Ų5170.9 Ų70.942%0.42141%0.41SS..Hα-helixtrans-63.6-38.6175.500000112.4A180 M181 K182 A188A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 2.88Å; M181-A184 PolarHBondContact O-N 3.27Å; K182-A184 VanDerWaalsContact C-N 3.3Å; K182-A184 PolarHBondContact O-N 2.79Å; A184-A188 WeakPolarHBondContact O-CB 3.13Å; A184-A188 PolarHBondContact O-N 2.98Å
185T97.8Very high96.7Very high96 Ų9672.6 Ų72.659%0.58942%0.421SS*.Hα-helixtrans-66.6-45.2176.5-56.30000111.2M181 K182 T183 N187 A188 G189M181-T185 WeakPolarHBondContact O-CB 3.44Å; M181-T185 PolarHBondContact O-N 3.42Å; M181-T185 PolarHBondContact O-OG1 2.83Å; K182-T185 WeakPolarHBondContact O-CB 3.43Å; K182-T185 PolarHBondContact O-N 3.4Å; K182-T185 VanDerWaalsContact O-N 3.09Å; T183-T185 VanDerWaalsContact C-N 3.33Å; T183-T185 PolarHBondContact O-N 3.43Å; T185-N187 VanDerWaalsContact C-N 3.34Å; T185-N187 PolarHBondContact O-N 3.06Å; T185-A188 PolarHBondContact O-N 3.43Å; T185-G189 PolarHBondContact O-N 3.35Å
186D97.5Very high96.8Very high98 Ų9875.5 Ų75.552%0.52444%0.437SS..Hα-helixtrans-62.1-42.7177.4-64.8-20.5000110.9K182 T183 G189 A190K182-D186 PolarHBondContact O-N 3.15Å; T183-D186 PolarHBondContact O-N 3.4Å; D186-G189 PolarHBondContact O-N 3.22Å; D186-A190 PolarHBondContact O-N 3.49Å; D186-A190 VanDerWaalsContact O-N 3.1Å
187N97.6Very high96.9Very high97 Ų9779 Ų7952%0.51945%0.453SS..Hα-helixtrans-63.9-40.2175.1-71.4-20.2000112.4T183 T185 G189 A190 I191T183-N187 WeakPolarHBondContact O-CB 3.22Å; T183-N187 PolarHBondContact O-N 3.43Å; T183-N187 PolarHBondContact O-ND2 2.86Å; T185-N187 VanDerWaalsContact C-N 3.34Å; T185-N187 PolarHBondContact O-N 3.06Å; N187-G189 VanDerWaalsContact C-N 3.32Å; N187-A190 PolarHBondContact O-N 2.84Å; N187-I191 WeakPolarHBondContact O-CG1 3.35Å; N187-I191 PolarHBondContact O-N 3.16Å; N187-I191 VanDerWaalsContact O-N 3.13Å
188A98.1Very high97Very high45 Ų4581.5 Ų81.537%0.37247%0.468SS..Hα-helixtrans-64.1-39.3175.500000111.4A184 T185 I191 I192A184-A188 WeakPolarHBondContact O-CB 3.13Å; A184-A188 PolarHBondContact O-N 2.98Å; T185-A188 PolarHBondContact O-N 3.43Å; A188-I191 PolarHBondContact O-N 3.19Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.38Å
189G98Very high97.2Very high29 Ų2982.7 Ų82.730%0.29947%0.466SS..Hα-helixtrans-56.8-48.5173.300000112.3T185 D186 N187 I191 I192 D193T185-G189 PolarHBondContact O-N 3.35Å; D186-G189 PolarHBondContact O-N 3.22Å; N187-G189 VanDerWaalsContact C-N 3.32Å; G189-I191 VanDerWaalsContact C-N 3.33Å; G189-I191 PolarHBondContact O-N 3.29Å; G189-I192 WeakPolarHBondContact O-CB 3.28Å; G189-I192 PolarHBondContact O-N 2.88Å; G189-I192 VanDerWaalsContact O-N 3.15Å; G189-D193 PolarHBondContact O-N 3.27Å
190A97.5Very high97.4Very high51 Ų5182.9 Ų82.942%0.42147%0.465SS..Hα-helixtrans-59.5-42176.800000112.7D186 N187 I192 D193 D194D186-A190 PolarHBondContact O-N 3.49Å; D186-A190 VanDerWaalsContact O-N 3.1Å; N187-A190 PolarHBondContact O-N 2.84Å; A190-I192 PolarHBondContact O-N 3.34Å; A190-D193 PolarHBondContact O-N 2.79Å; A190-D194 PolarHBondContact O-N 2.86Å; A190-D194 VanDerWaalsContact O-N 3.1Å
191I97.7Very high97.5Very high100 Ų10089.8 Ų89.851%0.51349%0.486SS..Hα-helixtrans-64.8-40.3176.7-67167.9000111.2N187 A188 G189 D193 D194 L195N187-I191 WeakPolarHBondContact O-CG1 3.35Å; N187-I191 PolarHBondContact O-N 3.16Å; N187-I191 VanDerWaalsContact O-N 3.13Å; A188-I191 PolarHBondContact O-N 3.19Å; G189-I191 VanDerWaalsContact C-N 3.33Å; G189-I191 PolarHBondContact O-N 3.29Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 2.85Å; I191-D194 PolarHBondContact O-N 3.29Å; I191-L195 HydrophobicContact CG2-CD1 3.81Å; I191-L195 HydrophobicContact CG2-CG 4.23Å; I191-L195 WeakPolarHBondContact O-CB 3.4Å; I191-L195 VanDerWaalsContact O-CG 3.27Å; I191-L195 WeakPolarHBondContact O-CG 3.29Å; I191-L195 PolarHBondContact O-N 2.92Å
192I97.7Very high97.5Very high101 Ų10188.8 Ų88.852%0.51849%0.491SS..Hα-helixtrans-62.3-42.2177.3-71.8164.5000110.6A188 G189 A190 L195 T196A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.38Å; G189-I192 WeakPolarHBondContact O-CB 3.28Å; G189-I192 PolarHBondContact O-N 2.88Å; G189-I192 VanDerWaalsContact O-N 3.15Å; A190-I192 PolarHBondContact O-N 3.34Å; I192-L195 PolarHBondContact O-N 3.45Å; I192-T196 WeakPolarHBondContact O-CB 3.33Å; I192-T196 PolarHBondContact O-N 3.4Å; I192-T196 PolarHBondContact O-OG1 3.5Å
193D97.9Very high97.6Very high104 Ų10487.8 Ų87.856%0.55648%0.483SS*.Hα-helixtrans-61.9-47.1177.8-70.1-22.3000111.2G189 A190 I191 L195 T196 I197G189-D193 PolarHBondContact O-N 3.27Å; A190-D193 PolarHBondContact O-N 2.79Å; I191-D193 VanDerWaalsContact C-N 3.32Å; I191-D193 PolarHBondContact O-N 2.85Å; D193-L195 PolarHBondContact O-N 2.84Å; D193-T196 WeakPolarHBondContact O-CB 3.22Å; D193-T196 PolarHBondContact O-N 3.39Å; D193-I197 WeakPolarHBondContact O-CG1 3.33Å; D193-I197 PolarHBondContact O-N 3.47Å; D193-I197 VanDerWaalsContact O-N 3.08Å
194D97.8Very high97.7Very high106 Ų10690 Ų9057%0.56749%0.489SS*.Hα-helixtrans-62.3-42.8177.5-76.6-18.5000112.7A190 I191 T196 I197 S198A190-D194 PolarHBondContact O-N 2.86Å; A190-D194 VanDerWaalsContact O-N 3.1Å; I191-D194 PolarHBondContact O-N 3.29Å; D194-T196 VanDerWaalsContact C-N 3.32Å; D194-I197 PolarHBondContact O-N 3.02Å; D194-S198 PolarHBondContact O-N 3.48Å; D194-S198 VanDerWaalsContact O-N 3.08Å; D194-S198 PolarHBondContact O-OG 3.05Å; D194-S198 VanDerWaalsContact O-OG 3.05Å
195L97.9Very high97.7Very high111 Ų11190.4 Ų90.458%0.58149%0.492SS*.Hα-helixtrans-66.8-34.5176.3-73.2175.8000111.7I191 I192 D193 S198 Y199I191-L195 HydrophobicContact CG2-CD1 3.81Å; I191-L195 HydrophobicContact CG2-CG 4.23Å; I191-L195 WeakPolarHBondContact O-CB 3.4Å; I191-L195 VanDerWaalsContact O-CG 3.27Å; I191-L195 WeakPolarHBondContact O-CG 3.29Å; I191-L195 PolarHBondContact O-N 2.92Å; I192-L195 PolarHBondContact O-N 3.45Å; D193-L195 PolarHBondContact O-N 2.84Å; L195-S198 PolarHBondContact O-N 2.93Å; L195-Y199 VanDerWaalsContact O-CB 3.23Å; L195-Y199 WeakPolarHBondContact O-CB 3.28Å; L195-Y199 PolarHBondContact O-N 3.46Å
196T97.7Very high97.7Very high68 Ų6888 Ų8842%0.41748%0.482SS..Hα-helixtrans-66.2-40.8176.9-62.30000111.3I192 D193 D194 N200I192-T196 WeakPolarHBondContact O-CB 3.33Å; I192-T196 PolarHBondContact O-N 3.4Å; I192-T196 PolarHBondContact O-OG1 3.5Å; D193-T196 WeakPolarHBondContact O-CB 3.22Å; D193-T196 PolarHBondContact O-N 3.39Å; D194-T196 VanDerWaalsContact C-N 3.32Å; T196-N200 WeakPolarHBondContact O-CB 3.15Å; T196-N200 PolarHBondContact O-N 3.21Å; T196-N200 PolarHBondContact O-ND2 2.97Å
197I97.7Very high97.7Very high97 Ų9787.2 Ų87.250%0.49748%0.477SS..Hα-helixtrans-62.5-47.2174-66.1167.8000110.3D193 D194 N200 R201D193-I197 WeakPolarHBondContact O-CG1 3.33Å; D193-I197 PolarHBondContact O-N 3.47Å; D193-I197 VanDerWaalsContact O-N 3.08Å; D194-I197 PolarHBondContact O-N 3.02Å; I197-N200 PolarHBondContact O-N 2.76Å; I197-R201 PolarHBondContact O-N 3.44Å
198S97.7Very high97.6Very high65 Ų6586.7 Ų86.746%0.45548%0.477SS..Hα-helixtrans-63.1-42.6179.7-61.40000112.2D194 L195 R201 A202D194-S198 PolarHBondContact O-N 3.48Å; D194-S198 VanDerWaalsContact O-N 3.08Å; D194-S198 PolarHBondContact O-OG 3.05Å; D194-S198 VanDerWaalsContact O-OG 3.05Å; L195-S198 PolarHBondContact O-N 2.93Å; S198-R201 PolarHBondContact O-N 3.43Å; S198-A202 WeakPolarHBondContact O-CB 3.22Å; S198-A202 PolarHBondContact O-N 2.91Å
199Y98.3Very high97.6Very high151 Ų15189.5 Ų89.559%0.59248%0.482SS*.Hα-helixtrans-59.9-47.5175.1173.5-96.6000111.7L195 R201 A202 R203L195-Y199 VanDerWaalsContact O-CB 3.23Å; L195-Y199 WeakPolarHBondContact O-CB 3.28Å; L195-Y199 PolarHBondContact O-N 3.46Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 3.24Å; Y199-A202 PolarHBondContact O-N 3.44Å; Y199-R203 WeakPolarHBondContact O-CB 3.31Å; Y199-R203 PolarHBondContact O-N 3Å
200N97.7Very high97.5Very high51 Ų5193.7 Ų93.727%0.27349%0.494SS..Hα-helixtrans-64.1-38.2179-78.1-51.7000112.3T196 I197 R203 Q204T196-N200 WeakPolarHBondContact O-CB 3.15Å; T196-N200 PolarHBondContact O-N 3.21Å; T196-N200 PolarHBondContact O-ND2 2.97Å; I197-N200 PolarHBondContact O-N 2.76Å; N200-R203 PolarHBondContact O-N 2.83Å; N200-R203 PolarHBondContact OD1-NH2 2.81Å; N200-Q204 WeakPolarHBondContact O-CG 3.31Å; N200-Q204 PolarHBondContact O-N 3.2Å
201R97.3Very high97.4Very high170 Ų17095.7 Ų95.764%0.64250%0.497SS*.Hα-helixtrans-63.8-47174.1-172.9-177.1-65.5157.51.4111.5I197 S198 Y199 R203 Q204 A205I197-R201 PolarHBondContact O-N 3.44Å; S198-R201 PolarHBondContact O-N 3.43Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 3.24Å; R201-R203 VanDerWaalsContact C-N 3.34Å; R201-R203 PolarHBondContact O-N 2.89Å; R201-Q204 PolarHBondContact O-N 2.98Å; R201-A205 PolarHBondContact O-N 3.46Å
202A97.7Very high97.3Very high60 Ų6094.9 Ų94.950%0.49650%0.496SS..Hα-helixtrans-62.6-40.8177.300000111.8S198 Y199 A205 A206S198-A202 WeakPolarHBondContact O-CB 3.22Å; S198-A202 PolarHBondContact O-N 2.91Å; Y199-A202 PolarHBondContact O-N 3.44Å; A202-A205 PolarHBondContact O-N 2.95Å; A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.31Å
203R97.9Very high97.2Very high120 Ų12095.6 Ų95.645%0.45350%0.498SS..Hα-helixtrans-61-45.4175.1-172.1-173.171.1-175.4-1.3111.9Y199 N200 R201 A206 I207Y199-R203 WeakPolarHBondContact O-CB 3.31Å; Y199-R203 PolarHBondContact O-N 3Å; N200-R203 PolarHBondContact O-N 2.83Å; N200-R203 PolarHBondContact OD1-NH2 2.81Å; R201-R203 VanDerWaalsContact C-N 3.34Å; R201-R203 PolarHBondContact O-N 2.89Å; R203-A206 PolarHBondContact O-N 3.3Å; R203-I207 HydrophobicContact CG-CD1 4.08Å; R203-I207 VanDerWaalsContact O-CG1 3.3Å; R203-I207 WeakPolarHBondContact O-CG1 3.35Å; R203-I207 PolarHBondContact O-N 2.66Å
204Q97.6Very high97Very high120 Ų12096.4 Ų96.456%0.56150%0.501SS*.Hα-helixtrans-64.6-40.2177-73.5174.69.600112N200 R201 T208N200-Q204 WeakPolarHBondContact O-CG 3.31Å; N200-Q204 PolarHBondContact O-N 3.2Å; R201-Q204 PolarHBondContact O-N 2.98Å; Q204-T208 WeakPolarHBondContact O-CB 3.38Å; Q204-T208 PolarHBondContact O-N 2.81Å; Q204-T208 PolarHBondContact O-OG1 3.12Å
205A97.5Very high96.8Very high59 Ų5995.3 Ų95.349%0.48850%0.498SS..Hα-helixtrans-63.3-43.6175.100000111.7R201 A202 T208 Q209R201-A205 PolarHBondContact O-N 3.46Å; A202-A205 PolarHBondContact O-N 2.95Å; A205-T208 PolarHBondContact O-N 3.11Å; A205-Q209 VanDerWaalsContact O-CB 3.31Å; A205-Q209 WeakPolarHBondContact O-CB 3.43Å; A205-Q209 PolarHBondContact O-N 3.01Å
206A97.5Very high96.7Very high45 Ų4592.1 Ų92.137%0.37249%0.492SS..Hα-helixtrans-62.5-48176.600000112.3A202 R203 T208 Q209 E210A202-A206 WeakPolarHBondContact O-CB 3.29Å; A202-A206 PolarHBondContact O-N 3.31Å; R203-A206 PolarHBondContact O-N 3.3Å; A206-T208 VanDerWaalsContact C-N 3.3Å; A206-T208 PolarHBondContact O-N 3.13Å; A206-Q209 PolarHBondContact O-N 3.28Å; A206-E210 WeakPolarHBondContact O-CG 3.38Å; A206-E210 PolarHBondContact O-N 3.12Å
207I96.6Very high96.5Very high82 Ų8290.8 Ų90.842%0.42149%0.492SS..Hα-helixtrans-58.6-43.8175.7-67.9165.8000110.8R203 E210 I211R203-I207 HydrophobicContact CG-CD1 4.08Å; R203-I207 VanDerWaalsContact O-CG1 3.3Å; R203-I207 WeakPolarHBondContact O-CG1 3.35Å; R203-I207 PolarHBondContact O-N 2.66Å; I207-E210 PolarHBondContact O-N 3.15Å; I207-I211 HydrophobicContact CG2-CD1 3.81Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 2.64Å
208T96.6Very high96.3Very high85 Ų8589 Ų8952%0.52149%0.491SS..Hα-helixtrans-65.8-40.7179.1-54.30000111.6Q204 A205 A206 I211 T212Q204-T208 WeakPolarHBondContact O-CB 3.38Å; Q204-T208 PolarHBondContact O-N 2.81Å; Q204-T208 PolarHBondContact O-OG1 3.12Å; A205-T208 PolarHBondContact O-N 3.11Å; A206-T208 VanDerWaalsContact C-N 3.3Å; A206-T208 PolarHBondContact O-N 3.13Å; T208-I211 PolarHBondContact O-N 2.68Å; T208-T212 WeakPolarHBondContact O-CB 3.46Å; T208-T212 PolarHBondContact O-N 2.99Å; T208-T212 PolarHBondContact O-OG1 3.21Å
209Q96.7Very high96Very high104 Ų10489.4 Ų89.449%0.48649%0.494SS..Hα-helixtrans-62.4-48.8176.5-176.963.129.100110.9A205 A206 I211 T212 E213A205-Q209 VanDerWaalsContact O-CB 3.31Å; A205-Q209 WeakPolarHBondContact O-CB 3.43Å; A205-Q209 PolarHBondContact O-N 3.01Å; A206-Q209 PolarHBondContact O-N 3.28Å; Q209-I211 PolarHBondContact O-N 2.63Å; Q209-T212 PolarHBondContact O-N 2.79Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.44Å; Q209-E213 PolarHBondContact NE2-OE1 3.1Å; Q209-E213 WeakPolarHBondContact O-CG 3.2Å; Q209-E213 PolarHBondContact O-N 3.4Å
210E96.3Very high95.7Very high118 Ų11886 Ų8655%0.55150%0.497SS*.Hα-helixtrans-58.5-44.6176.4-73.6175.4-159.200111.9A206 I207 E213 I214A206-E210 WeakPolarHBondContact O-CG 3.38Å; A206-E210 PolarHBondContact O-N 3.12Å; I207-E210 PolarHBondContact O-N 3.15Å; E210-E213 PolarHBondContact O-N 2.94Å; E210-I214 VanDerWaalsContact O-CG1 3.27Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.9Å
211I95.7Very high95.2Very high93 Ų9391.1 Ų91.148%0.47752%0.524SS..Hα-helixtrans-63.9-42.6176.4-68.3168.3000111I207 T208 Q209 E213 I214 V215I207-I211 HydrophobicContact CG2-CD1 3.81Å; I207-I211 VanDerWaalsContact O-CG1 3.26Å; I207-I211 WeakPolarHBondContact O-CG1 3.4Å; I207-I211 PolarHBondContact O-N 2.64Å; T208-I211 PolarHBondContact O-N 2.68Å; Q209-I211 PolarHBondContact O-N 2.63Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.7Å; I211-I214 PolarHBondContact O-N 2.73Å; I211-V215 HydrophobicContact CG2-CG2 4.25Å; I211-V215 WeakPolarHBondContact O-CG2 3.17Å; I211-V215 PolarHBondContact O-N 3.31Å
212T95.8Very high93.9Very high82 Ų8294 Ų9450%0.50355%0.545SS..Hα-helixtrans-63.6-39.3179.2-56.90000111.1T208 Q209 G216T208-T212 WeakPolarHBondContact O-CB 3.46Å; T208-T212 PolarHBondContact O-N 2.99Å; T208-T212 PolarHBondContact O-OG1 3.21Å; Q209-T212 PolarHBondContact O-N 2.79Å; T212-G216 PolarHBondContact O-N 2.87Å
213E95.2Very high93.7Very high117 Ų11795.8 Ų95.855%0.54755%0.547SS..Hα-helixtrans-65.7-42.6174.6-73.1172.7-168.900112.1Q209 E210 I211 G217Q209-E213 WeakPolarHBondContact CG-OE1 3.44Å; Q209-E213 PolarHBondContact NE2-OE1 3.1Å; Q209-E213 WeakPolarHBondContact O-CG 3.2Å; Q209-E213 PolarHBondContact O-N 3.4Å; E210-E213 PolarHBondContact O-N 2.94Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.7Å; E213-G217 PolarHBondContact O-N 3.32Å
214I93.6Very high93.5Very high121 Ų12194.5 Ų94.562%0.62155%0.552SS**Hα-helixtrans-64-48.2176.5-68.2165.2000111.2E210 I211 G217 A218E210-I214 VanDerWaalsContact O-CG1 3.27Å; E210-I214 WeakPolarHBondContact O-CG1 3.46Å; E210-I214 PolarHBondContact O-N 2.9Å; I211-I214 PolarHBondContact O-N 2.73Å; I214-G217 PolarHBondContact O-N 3.19Å; I214-A218 WeakPolarHBondContact O-CB 3.08Å; I214-A218 PolarHBondContact O-N 3.49Å
215V94.7Very high93.3Very high82 Ų8293.1 Ų93.150%0.49755%0.552SS.*Hα-helixtrans-66.7-44.6-179.71740000110.8I211 G217 A218 S219I211-V215 HydrophobicContact CG2-CG2 4.25Å; I211-V215 WeakPolarHBondContact O-CG2 3.17Å; I211-V215 PolarHBondContact O-N 3.31Å; V215-G217 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.12Å; V215-A218 PolarHBondContact O-N 2.94Å; V215-S219 PolarHBondContact O-N 3.28Å; V215-S219 PolarHBondContact O-OG 3.46Å
216G94.7Very high93Very high44 Ų4495.1 Ų95.145%0.45456%0.555SS.*Hα-helixtrans-62.7-38176.700000113.1T212 A220T212-G216 PolarHBondContact O-N 2.87Å; G216-A220 WeakPolarHBondContact O-CB 3.42Å; G216-A220 PolarHBondContact O-N 3.2Å
217G94.2Very high92.7Very high41 Ų4198.2 Ų98.242%0.42357%0.567SS.*Hα-helixtrans-67.6-39174.300000113.4E213 I214 V215 A220E213-G217 PolarHBondContact O-N 3.32Å; I214-G217 PolarHBondContact O-N 3.19Å; V215-G217 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.12Å; G217-A220 PolarHBondContact O-N 3.08Å
218A93.2Very high92.5Very high59 Ų5999.3 Ų99.349%0.48858%0.577SS.*Hα-helixtrans-67.9-44.3176.300000112.2I214 V215 A220 L221I214-A218 WeakPolarHBondContact O-CB 3.08Å; I214-A218 PolarHBondContact O-N 3.49Å; V215-A218 PolarHBondContact O-N 2.94Å; A218-A220 PolarHBondContact O-N 3.11Å; A218-L221 PolarHBondContact O-N 3.32Å
219S92Very high92.2Very high73 Ų73100.3 Ų100.351%0.5158%0.581SS.*Hα-helixtrans-67.4-20.3177.5-64.50000113.9V215 L221V215-S219 PolarHBondContact O-N 3.28Å; V215-S219 PolarHBondContact O-OG 3.46Å; S219-L221 VanDerWaalsContact C-N 3.27Å
220A91.4Very high91.9Very high80 Ų80100 Ų10066%0.66159%0.588SS**THydrogen-bonded Turntrans-77.6-10.1175.100000113.7G216 G217 A218G216-A220 WeakPolarHBondContact O-CB 3.42Å; G216-A220 PolarHBondContact O-N 3.2Å; G217-A220 PolarHBondContact O-N 3.08Å; A218-A220 PolarHBondContact O-N 3.11Å
221L86.4Confident91.5Very high158 Ų15898.5 Ų98.583%0.82759%0.591SS**  trans-93.5-15177-68.5170.3000113.5A218 S219A218-L221 PolarHBondContact O-N 3.32Å; S219-L221 VanDerWaalsContact C-N 3.27Å
222E71Confident91.1Very high232 Ų23299 Ų99100%1.08460%0.601SS**  trans-84.50172.1-72.5-173.6161.300111.7

Retrieved 222 of 222 residues in 646.7 ms (Link to these results)

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