A0A077ZHK6_TRITR Loading...

BPD transp 1 and SBP bac 3 domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZHK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 493 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
1M93.9Very high88.9Confident16 Ų168.5 Ų8.58%0.0795%0.054CC..  0160.4068.517962.400109.2N9 A29 V34 V50 V51 K52 T53 I71 A72M1-N9 HydrophobicContact SD-CB 4.04Å; M1-A29 HydrophobicContact SD-CB 4.2Å; M1-V34 HydrophobicContact CE-CG2 4.15Å; M1-V34 HydrophobicContact SD-CG2 3.73Å; M1-V50 HydrophobicContact CE-CG1 4.27Å; M1-V50 HydrophobicContact CE-CG2 4.33Å; M1-V50 HydrophobicContact CG-CG1 3.85Å; M1-V50 HydrophobicContact SD-CG1 3.69Å; M1-V51 PolarHBondContact N-O 3.46Å; M1-V51 VanDerWaalsContact N-O 3.16Å; M1-K52 CarbonylContact O-C 3.5Å; M1-K52 VanDerWaalsContact O-CA 3.3Å; M1-K52 WeakPolarHBondContact O-CA 3.44Å; M1-T53 CarbonylContact C-O 3.59Å; M1-T53 PolarHBondContact O-N 2.99Å; M1-I71 WeakPolarHBondContact CB-O 3.46Å; M1-A72 HydrophobicContact CB-CB 3.88Å
2E88.2Confident88.8Confident22 Ų229.1 Ų9.110%0.1036%0.055CC..  trans-80-28-175.8-65.8-179.791.300114.3G4 K52 T53 W55 L58E2-G4 PolarHBondContact O-N 2.99Å; E2-K52 WeakPolarHBondContact O-CE 3.35Å; E2-K52 WeakPolarHBondContact O-CG 3.34Å; E2-T53 VanDerWaalsContact CA-O 3.25Å; E2-T53 WeakPolarHBondContact CA-O 3.38Å; E2-T53 WeakPolarHBondContact CG-O 3.31Å; E2-W55 HydrophobicContact CG-CE3 4.46Å; E2-W55 WeakPolarHBondContact OE1-CB 3.44Å; E2-W55 PolarHBondContact OE1-N 2.87Å; E2-W55 VanDerWaalsContact OE2-CE3 3.25Å; E2-L58 HydrophobicContact CG-CD1 4.28Å
3A89.3Confident88.4Confident0 Ų017 Ų170%09%0.088CC..SBendtrans47.541-167.200000112.5N9 W10 T11 I22 A29 K52A3-N9 WeakPolarHBondContact CA-OD1 3.38Å; A3-N9 PolarHBondContact N-OD1 3.26Å; A3-W10 CarbonylContact O-C 3.59Å; A3-T11 WeakPolarHBondContact CB-OG1 3.48Å; A3-T11 PolarHBondContact O-N 3.49Å; A3-T11 PolarHBondContact O-OG1 3.02Å; A3-I22 HydrophobicContact CB-CD1 4.14Å; A3-A29 HydrophobicContact CB-CB 4.12Å; A3-K52 HydrophobicContact CB-CD 4.03Å; A3-K52 HydrophobicContact CB-CG 4.03Å
4G81.9Confident88.4Confident24 Ų2419.2 Ų19.225%0.24710%0.1CC..EExtended strand (participates in β ladder)trans-154.314.1-177.100000113.6E2 N9E2-G4 PolarHBondContact O-N 2.99Å; G4-N9 PolarHBondContact N-O 2.67Å; G4-N9 PolarHBondContact N-OD1 3.22Å
5Y85.2Confident88.5Confident17 Ų1725 Ų257%0.06713%0.132CC..EExtended strand (participates in β ladder)trans-125.270.9-176.9178.8-152.5000109.9F8 N9 F146 E164 E167Y5-F8 HydrophobicContact CD1-CB 4.09Å; Y5-F8 HydrophobicContact CD1-CD2 4.17Å; Y5-F8 HydrophobicContact CD1-CG 4.44Å; Y5-F8 HydrophobicContact CE1-CB 4.4Å; Y5-F8 AromaticContact CE1-CD2 3.72Å; Y5-F8 HydrophobicContact CE1-CD2 3.72Å; Y5-F8 HydrophobicContact CE1-CE2 4.32Å; Y5-F8 HydrophobicContact CE1-CG 4.26Å; Y5-F8 HydrophobicContact CE2-CD2 4.11Å; Y5-F8 HydrophobicContact CG-CB 4.5Å; Y5-F8 AromaticContact CZ-CD2 3.71Å; Y5-F8 CarbonylContact O-C 3.56Å; Y5-F8 WeakPolarHBondContact O-CA 3.43Å; Y5-F8 VanDerWaalsContact O-CB 3.31Å; Y5-F8 WeakPolarHBondContact O-CB 3.19Å; Y5-F8 PolarHBondContact O-N 2.78Å; Y5-N9 CarbonylContact C-O 3.49Å; Y5-N9 WeakPolarHBondContact CA-O 3.2Å; Y5-N9 PolarHBondContact N-O 2.64Å; Y5-N9 PolarHBondContact O-N 2.84Å; Y5-N9 VanDerWaalsContact O-O 3.13Å; Y5-F146 AromaticContact CD2-CD2 3.66Å; Y5-F146 HydrophobicContact CD2-CD2 3.66Å; Y5-F146 AromaticContact CD2-CE2 3.92Å; Y5-F146 HydrophobicContact CD2-CE2 3.92Å; Y5-F146 AromaticContact CE2-CD2 3.33Å; Y5-F146 HydrophobicContact CE2-CD2 3.33Å; Y5-F146 AromaticContact CE2-CE2 3.14Å; Y5-F146 HydrophobicContact CE2-CE2 3.14Å; Y5-F146 HydrophobicContact CE2-CG 4.38Å; Y5-F146 HydrophobicContact CE2-CZ 4.09Å; Y5-F146 AromaticContact CZ-CE2 3.56Å; Y5-E164 VanDerWaalsContact CE2-OE1 3.28Å; Y5-E164 WeakPolarHBondContact CE2-OE1 3.39Å; Y5-E164 PolarHBondContact OH-OE1 2.9Å; Y5-E164 PolarHBondContact OH-OE2 2.96Å; Y5-E164 VanDerWaalsContact OH-OE2 3.05Å; Y5-E167 HydrophobicContact CE2-CB 4.39Å; Y5-E167 HydrophobicContact CE2-CG 4.5Å
6A85.3Confident88.7Confident8 Ų831.6 Ų31.67%0.06615%0.154CC..THydrogen-bonded Turntrans-74.9143.5-178.100000110.9N9 W10 Y442A6-N9 PolarHBondContact N-O 3.46Å; A6-W10 HydrophobicContact CB-CB 4.08Å; A6-W10 HydrophobicContact CB-CE3 4.06Å; A6-Y442 WeakPolarHBondContact CB-OH 3.33Å
7P89.6Confident88.8Confident0 Ų034.1 Ų34.10%017%0.168CC..THydrogen-bonded Turncis-89.90.59.836.7-35.2000113.9W10 G31 Y32 P166 T170 M228 A231 I232 Q235P7-W10 WeakPolarHBondContact O-CZ3 3.32Å; P7-G31 WeakPolarHBondContact O-CA 3.5Å; P7-Y32 PolarHBondContact O-N 2.69Å; P7-P166 HydrophobicContact CG-CB 3.57Å; P7-T170 WeakPolarHBondContact CD-OG1 3.43Å; P7-M228 HydrophobicContact CB-SD 4.33Å; P7-M228 HydrophobicContact CG-SD 3.7Å; P7-A231 HydrophobicContact CB-CB 4.41Å; P7-I232 HydrophobicContact CB-CG1 3.83Å; P7-I232 HydrophobicContact CG-CG1 3.8Å; P7-Q235 HydrophobicContact CB-CG 4.31Å
8F92.3Very high89Confident0 Ų033.5 Ų33.50%017%0.173CC..THydrogen-bonded Turntrans-61.7-51.1179.4-73.4-76.9000111.5Y5 G31 Y32 D33 Y91 E164 P166 V198 M228Y5-F8 HydrophobicContact CD1-CB 4.09Å; Y5-F8 HydrophobicContact CD1-CD2 4.17Å; Y5-F8 HydrophobicContact CD1-CG 4.44Å; Y5-F8 HydrophobicContact CE1-CB 4.4Å; Y5-F8 AromaticContact CE1-CD2 3.72Å; Y5-F8 HydrophobicContact CE1-CD2 3.72Å; Y5-F8 HydrophobicContact CE1-CE2 4.32Å; Y5-F8 HydrophobicContact CE1-CG 4.26Å; Y5-F8 HydrophobicContact CE2-CD2 4.11Å; Y5-F8 HydrophobicContact CG-CB 4.5Å; Y5-F8 AromaticContact CZ-CD2 3.71Å; Y5-F8 CarbonylContact O-C 3.56Å; Y5-F8 WeakPolarHBondContact O-CA 3.43Å; Y5-F8 VanDerWaalsContact O-CB 3.31Å; Y5-F8 WeakPolarHBondContact O-CB 3.19Å; Y5-F8 PolarHBondContact O-N 2.78Å; F8-G31 CarbonylContact O-C 3.56Å; F8-G31 VanDerWaalsContact O-C 3.26Å; F8-Y32 HydrophobicContact CD1-CD1 4.06Å; F8-Y32 HydrophobicContact CE1-CD1 4.29Å; F8-Y32 PolarHBondContact O-N 2.98Å; F8-D33 WeakPolarHBondContact CB-OD2 3.49Å; F8-D33 WeakPolarHBondContact CD1-OD1 3.19Å; F8-D33 VanDerWaalsContact O-CB 3.26Å; F8-D33 WeakPolarHBondContact O-CB 3.46Å; F8-D33 PolarHBondContact O-N 3.06Å; F8-Y91 AromaticContact CE1-CD1 3.94Å; F8-Y91 HydrophobicContact CE1-CD1 3.94Å; F8-Y91 HydrophobicContact CE1-CE1 4.48Å; F8-Y91 HydrophobicContact CE1-CG 4.31Å; F8-Y91 AromaticContact CZ-CD1 3.9Å; F8-Y91 HydrophobicContact CZ-CD1 3.9Å; F8-Y91 HydrophobicContact CZ-CE1 4.1Å; F8-E164 HydrophobicContact CE2-CG 3.93Å; F8-E164 HydrophobicContact CZ-CG 4.44Å; F8-P166 HydrophobicContact CE2-CB 4.05Å; F8-P166 HydrophobicContact CE2-CG 4.25Å; F8-P166 HydrophobicContact CZ-CB 4.35Å; F8-P166 HydrophobicContact CZ-CG 4.1Å; F8-V198 HydrophobicContact CE1-CG2 4.07Å; F8-V198 HydrophobicContact CZ-CG2 4.15Å; F8-M228 HydrophobicContact CD1-CE 4.04Å; F8-M228 HydrophobicContact CE1-CE 3.61Å; F8-M228 HydrophobicContact CZ-CE 4Å
9N93.2Very high89.3Confident0 Ų032.2 Ų32.20%017%0.167CC..EExtended strand (participates in β ladder)trans-155.2137.8175.556.783.1000111.5M1 A3 G4 Y5 A6 G30 D33M1-N9 HydrophobicContact SD-CB 4.04Å; A3-N9 WeakPolarHBondContact CA-OD1 3.38Å; A3-N9 PolarHBondContact N-OD1 3.26Å; G4-N9 PolarHBondContact N-O 2.67Å; G4-N9 PolarHBondContact N-OD1 3.22Å; Y5-N9 CarbonylContact C-O 3.49Å; Y5-N9 WeakPolarHBondContact CA-O 3.2Å; Y5-N9 PolarHBondContact N-O 2.64Å; Y5-N9 PolarHBondContact O-N 2.84Å; Y5-N9 VanDerWaalsContact O-O 3.13Å; A6-N9 PolarHBondContact N-O 3.46Å; N9-G30 CarbonylContact C-O 3.57Å; N9-G30 VanDerWaalsContact CA-O 3.26Å; N9-G30 WeakPolarHBondContact CA-O 3.48Å; N9-D33 HydrophobicContact CB-CB 4.28Å; N9-D33 PolarHBondContact ND2-OD2 3Å
10W89.9Confident89.6Confident5 Ų532 Ų322%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-142.3166.717665.182.6000111.4A3 A6 P7 A29 G30 A231 D234 Q235 P236A3-W10 CarbonylContact O-C 3.59Å; A6-W10 HydrophobicContact CB-CB 4.08Å; A6-W10 HydrophobicContact CB-CE3 4.06Å; P7-W10 WeakPolarHBondContact O-CZ3 3.32Å; W10-A29 CarbonylContact O-C 3.52Å; W10-A29 VanDerWaalsContact O-CA 3.23Å; W10-A29 WeakPolarHBondContact O-CA 3.28Å; W10-G30 PolarHBondContact N-O 3.16Å; W10-G30 PolarHBondContact O-N 3.26Å; W10-A231 HydrophobicContact CH2-CB 4.38Å; W10-A231 VanDerWaalsContact CH2-O 3.27Å; W10-A231 WeakPolarHBondContact CH2-O 3.23Å; W10-A231 HydrophobicContact CZ3-CB 4.32Å; W10-A231 WeakPolarHBondContact CZ3-O 3.31Å; W10-D234 HydrophobicContact CH2-CB 4.19Å; W10-D234 HydrophobicContact CZ2-CB 4.34Å; W10-D234 WeakPolarHBondContact CZ2-O 3.5Å; W10-Q235 HydrophobicContact CE3-CG 4.1Å; W10-Q235 HydrophobicContact CH2-CG 4.11Å; W10-Q235 HydrophobicContact CZ3-CG 3.73Å; W10-P236 VanDerWaalsContact CD1-CD 3.45Å; W10-P236 HydrophobicContact CG-CG 4.35Å
11T89Confident89.9Confident2 Ų235.2 Ų35.21%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-96.1135.8174.2-58.70000110.3A3 I22 A27 Y28 K52 M262 S436 T440A3-T11 WeakPolarHBondContact CB-OG1 3.48Å; A3-T11 PolarHBondContact O-N 3.49Å; A3-T11 PolarHBondContact O-OG1 3.02Å; T11-I22 HydrophobicContact CG2-CD1 4.12Å; T11-A27 HydrophobicContact CG2-CB 3.58Å; T11-Y28 CarbonylContact C-O 3.58Å; T11-Y28 WeakPolarHBondContact CA-O 3.32Å; T11-K52 PolarHBondContact OG1-NZ 3.38Å; T11-M262 HydrophobicContact CG2-CE 3.99Å; T11-S436 WeakPolarHBondContact CB-OG 3.39Å; T11-S436 WeakPolarHBondContact CG2-OG 3.36Å; T11-S436 PolarHBondContact OG1-OG 2.93Å; T11-T440 VanDerWaalsContact O-CG2 3.26Å; T11-T440 WeakPolarHBondContact O-CG2 3.39Å; T11-T440 PolarHBondContact O-OG1 2.79Å
12Q87.3Confident89.9Confident15 Ų1534.7 Ų34.77%0.0718%0.179CC..EExtended strand (participates in β ladder)trans-138.6172.5174.764-178.666.900111.1D14 R16 A19 A27 Y28 P236Q12-D14 WeakPolarHBondContact CG-O 3.45Å; Q12-D14 PolarHBondContact NE2-O 3.41Å; Q12-R16 PolarHBondContact NE2-O 3.21Å; Q12-A19 HydrophobicContact CG-CB 3.92Å; Q12-A27 WeakPolarHBondContact O-CA 3.25Å; Q12-Y28 PolarHBondContact N-O 3.19Å; Q12-Y28 PolarHBondContact O-N 3.15Å; Q12-P236 HydrophobicContact CB-CG 4.37Å
13K84Confident90Very high112 Ų11239.2 Ų39.249%0.48720%0.2SC..SBendtrans-89.3-21.4-169.4-65.7173.2-173.2165.50114.7Q258K13-Q258 WeakPolarHBondContact CE-O 3.38Å; K13-Q258 VanDerWaalsContact NZ-C 3.29Å; K13-Q258 VanDerWaalsContact NZ-CA 3.31Å; K13-Q258 PolarHBondContact NZ-O 3.42Å
14D87.9Confident89.6Confident48 Ų4843.1 Ų43.126%0.25724%0.24SC..SBendtrans-140.3176.6-172.255.536.4000110.7Q12 R16 Y28Q12-D14 WeakPolarHBondContact CG-O 3.45Å; Q12-D14 PolarHBondContact NE2-O 3.41Å; D14-R16 VanDerWaalsContact C-N 3.27Å; D14-R16 VanDerWaalsContact CG-NE 3.33Å; D14-R16 PolarHBondContact O-N 3.49Å; D14-R16 WeakPolarHBondContact OD1-CB 3.43Å; D14-R16 WeakPolarHBondContact OD1-CD 3.42Å; D14-R16 WeakPolarHBondContact OD1-CG 3.35Å; D14-R16 IonicContact OD1-CZ 3.6Å; D14-R16 PolarHBondContact OD1-N 2.94Å; D14-R16 IonicContact OD1-NE 2.75Å; D14-R16 PolarHBondContact OD1-NE 2.92Å; D14-R16 IonicContact OD1-NH2 3.78Å; D14-R16 IonicContact OD2-CZ 2.61Å; D14-R16 VanDerWaalsContact OD2-CZ 3.27Å; D14-R16 IonicContact OD2-NE 2.89Å; D14-R16 PolarHBondContact OD2-NE 3.29Å; D14-R16 IonicContact OD2-NH2 2.67Å; D14-R16 PolarHBondContact OD2-NH2 2.83Å; D14-Y28 VanDerWaalsContact O-CB 3.25Å; D14-Y28 WeakPolarHBondContact O-CB 3.34Å
15D91.2Very high89.6Confident106 Ų10642.8 Ų42.857%0.56723%0.233SC*.  trans-85.910.7-17658.6-11.5000113.7G18 A19 Y28D15-G18 PolarHBondContact O-N 3.2Å; D15-A19 PolarHBondContact O-N 3.33Å; D15-Y28 HydrophobicContact CB-CD1 3.89Å; D15-Y28 HydrophobicContact CB-CE1 3.69Å
16R91.4Very high89.5Confident131 Ų13148.2 Ų48.249%0.49426%0.257SS..G310 helixtrans-58.2152.9179.581.9-178.964.5-175-6.1111.1Q12 D14 G18 A19Q12-R16 PolarHBondContact NE2-O 3.21Å; D14-R16 VanDerWaalsContact C-N 3.27Å; D14-R16 VanDerWaalsContact CG-NE 3.33Å; D14-R16 PolarHBondContact O-N 3.49Å; D14-R16 WeakPolarHBondContact OD1-CB 3.43Å; D14-R16 WeakPolarHBondContact OD1-CD 3.42Å; D14-R16 WeakPolarHBondContact OD1-CG 3.35Å; D14-R16 IonicContact OD1-CZ 3.6Å; D14-R16 PolarHBondContact OD1-N 2.94Å; D14-R16 IonicContact OD1-NE 2.75Å; D14-R16 PolarHBondContact OD1-NE 2.92Å; D14-R16 IonicContact OD1-NH2 3.78Å; D14-R16 IonicContact OD2-CZ 2.61Å; D14-R16 VanDerWaalsContact OD2-CZ 3.27Å; D14-R16 IonicContact OD2-NE 2.89Å; D14-R16 PolarHBondContact OD2-NE 3.29Å; D14-R16 IonicContact OD2-NH2 2.67Å; D14-R16 PolarHBondContact OD2-NH2 2.83Å; R16-G18 PolarHBondContact O-N 2.83Å; R16-G18 VanDerWaalsContact O-N 3.16Å; R16-A19 WeakPolarHBondContact O-CB 3.44Å; R16-A19 PolarHBondContact O-N 3.23Å
17N90.7Very high89.6Confident73 Ų7348 Ų4839%0.3926%0.255SS..G310 helixtrans57.926.8-179.8-54.7-19.1000113.1A19 Q35 D234N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.34Å; N17-Q35 PolarHBondContact O-NE2 3.49Å; N17-D234 HydrophobicContact CB-CB 3.96Å; N17-D234 WeakPolarHBondContact CB-OD2 3.37Å; N17-D234 VanDerWaalsContact CG-CG 3.44Å; N17-D234 WeakPolarHBondContact ND2-CB 3.33Å; N17-D234 PolarHBondContact ND2-O 3.14Å; N17-D234 PolarHBondContact ND2-OD1 3.44Å
18G91.6Very high89.8Confident24 Ų2450.7 Ų50.725%0.24727%0.266CS..G310 helixtrans74.420176.900000114.5D15 R16 K38D15-G18 PolarHBondContact O-N 3.2Å; R16-G18 PolarHBondContact O-N 2.83Å; R16-G18 VanDerWaalsContact O-N 3.16Å; G18-K38 WeakPolarHBondContact O-CD 3.41Å; G18-K38 PolarHBondContact O-NZ 2.84Å
19A94.8Very high89.9Confident9 Ų950.7 Ų50.77%0.07427%0.266CS..  trans-62.9150.2176.500000112.4Q12 D15 R16 N17 A29Q12-A19 HydrophobicContact CG-CB 3.92Å; D15-A19 PolarHBondContact O-N 3.33Å; R16-A19 WeakPolarHBondContact O-CB 3.44Å; R16-A19 PolarHBondContact O-N 3.23Å; N17-A19 VanDerWaalsContact C-N 3.33Å; N17-A19 PolarHBondContact O-N 3.34Å; A19-A29 CarbonylContact C-O 3.53Å; A19-A29 WeakPolarHBondContact CA-O 3.34Å; A19-A29 VanDerWaalsContact CB-O 3.28Å; A19-A29 WeakPolarHBondContact CB-O 3.38Å
20V96.4Very high89.9Confident27 Ų2750.7 Ų50.716%0.16427%0.266CS..EExtended strand (participates in β ladder)trans-116.8135.2-171.4179.70000109.9I22 Y28 A29 V34 K38 L48 V50V20-I22 PolarHBondContact O-N 2.75Å; V20-Y28 CarbonylContact O-C 3.6Å; V20-Y28 VanDerWaalsContact O-CA 3.29Å; V20-Y28 WeakPolarHBondContact O-CA 3.49Å; V20-A29 PolarHBondContact N-O 3.26Å; V20-A29 PolarHBondContact O-N 3.48Å; V20-V34 HydrophobicContact CB-CG1 4.08Å; V20-V34 HydrophobicContact CG2-CG1 3.68Å; V20-K38 HydrophobicContact CG2-CD 3.66Å; V20-K38 HydrophobicContact CG2-CG 3.86Å; V20-L48 HydrophobicContact CG1-CD2 4.28Å; V20-L48 HydrophobicContact CG1-CG 4.41Å; V20-L48 HydrophobicContact CG2-CD2 3.99Å; V20-V50 HydrophobicContact CB-CG2 3.95Å; V20-V50 HydrophobicContact CG1-CG2 3.82Å
21Q95.2Very high90.1Very high101 Ų10150.6 Ų50.647%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-59.6131.2-178-167.6179.54.200111D25 Y28Q21-D25 PolarHBondContact NE2-O 2.89Å; Q21-Y28 VanDerWaalsContact CA-CD1 3.5Å; Q21-Y28 HydrophobicContact CB-CD1 3.92Å; Q21-Y28 HydrophobicContact CB-CE1 3.69Å; Q21-Y28 HydrophobicContact CG-CE1 4.28Å; Q21-Y28 VanDerWaalsContact N-CD1 3.26Å
22I93.1Very high90.5Very high4 Ų450.5 Ų50.52%0.02127%0.266CS..BIsolated β-bridgetrans-73.8129174.8-65.3164.7000108.4A3 T11 V20 G24 D25 A27 A29 V50 K52A3-I22 HydrophobicContact CB-CD1 4.14Å; T11-I22 HydrophobicContact CG2-CD1 4.12Å; V20-I22 PolarHBondContact O-N 2.75Å; I22-G24 PolarHBondContact O-N 3.39Å; I22-D25 HydrophobicContact CB-CB 4.04Å; I22-D25 HydrophobicContact CG2-CB 3.94Å; I22-D25 CarbonylContact O-C 3.26Å; I22-D25 PolarHBondContact O-N 2.82Å; I22-A27 HydrophobicContact CD1-CB 4.35Å; I22-A27 PolarHBondContact N-O 2.88Å; I22-A29 HydrophobicContact CD1-CB 4.25Å; I22-A29 HydrophobicContact CG1-CB 3.93Å; I22-V50 HydrophobicContact CG1-CG1 4.23Å; I22-K52 HydrophobicContact CD1-CB 4.45Å; I22-K52 HydrophobicContact CD1-CD 4.17Å; I22-K52 HydrophobicContact CG2-CB 3.59Å
23Q91.4Very high91Very high118 Ų11849.8 Ų49.855%0.55126%0.263SS*.THydrogen-bonded Turntrans-58128.9179.3-169.9-167.354.900110.8D25 V49 V50 V51Q23-D25 PolarHBondContact O-N 2.93Å; Q23-V49 HydrophobicContact CB-CG1 3.86Å; Q23-V49 HydrophobicContact CG-CG1 4.05Å; Q23-V50 WeakPolarHBondContact CB-O 3.4Å; Q23-V50 PolarHBondContact N-O 3.33Å; Q23-V51 HydrophobicContact CB-CG2 4.43Å
24G81.4Confident91.6Very high81 Ų8144.5 Ų44.584%0.83524%0.24SC*.THydrogen-bonded Turntrans75.9-0.7-179.200000114.5I22I22-G24 PolarHBondContact O-N 3.39Å
25D80.8Confident92.1Very high18 Ų1844.1 Ų44.110%0.09624%0.236CC..SBendtrans-119.9161.7174.3-149.7-57.3000110.4Q21 I22 Q23 A27 S428 Q433Q21-D25 PolarHBondContact NE2-O 2.89Å; I22-D25 HydrophobicContact CB-CB 4.04Å; I22-D25 HydrophobicContact CG2-CB 3.94Å; I22-D25 CarbonylContact O-C 3.26Å; I22-D25 PolarHBondContact O-N 2.82Å; Q23-D25 PolarHBondContact O-N 2.93Å; D25-A27 WeakPolarHBondContact OD1-CB 3.42Å; D25-A27 PolarHBondContact OD1-N 3.15Å; D25-S428 PolarHBondContact OD2-OG 3.38Å; D25-Q433 PolarHBondContact OD2-NE2 2.99Å
26K83.6Confident92.4Very high130 Ų13039 Ų3957%0.56521%0.209SC*.SBendtrans-95.2-7.7171.2-77.5179.2173.9-174.80111.7Y28K26-Y28 WeakPolarHBondContact O-CE2 3.12Å
27A87Confident92.7Very high5 Ų533 Ų334%0.04119%0.187CC..SBendtrans-77.3163.8169.700000111.6T11 Q12 I22 D25 M262T11-A27 HydrophobicContact CG2-CB 3.58Å; Q12-A27 WeakPolarHBondContact O-CA 3.25Å; I22-A27 HydrophobicContact CD1-CB 4.35Å; I22-A27 PolarHBondContact N-O 2.88Å; D25-A27 WeakPolarHBondContact OD1-CB 3.42Å; D25-A27 PolarHBondContact OD1-N 3.15Å; A27-M262 HydrophobicContact CB-CE 4.18Å
28Y93.3Very high93Very high55 Ų5532.1 Ų32.122%0.21618%0.18CC..EExtended strand (participates in β ladder)trans-119.9150.2-178.4-65.7-106.8000109.4T11 Q12 D14 D15 V20 Q21 K26T11-Y28 CarbonylContact C-O 3.58Å; T11-Y28 WeakPolarHBondContact CA-O 3.32Å; Q12-Y28 PolarHBondContact N-O 3.19Å; Q12-Y28 PolarHBondContact O-N 3.15Å; D14-Y28 VanDerWaalsContact O-CB 3.25Å; D14-Y28 WeakPolarHBondContact O-CB 3.34Å; D15-Y28 HydrophobicContact CB-CD1 3.89Å; D15-Y28 HydrophobicContact CB-CE1 3.69Å; V20-Y28 CarbonylContact O-C 3.6Å; V20-Y28 VanDerWaalsContact O-CA 3.29Å; V20-Y28 WeakPolarHBondContact O-CA 3.49Å; Q21-Y28 VanDerWaalsContact CA-CD1 3.5Å; Q21-Y28 HydrophobicContact CB-CD1 3.92Å; Q21-Y28 HydrophobicContact CB-CE1 3.69Å; Q21-Y28 HydrophobicContact CG-CE1 4.28Å; Q21-Y28 VanDerWaalsContact N-CD1 3.26Å; K26-Y28 WeakPolarHBondContact O-CE2 3.12Å
29A94.6Very high93.2Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-98.1125.1170.600000109.3M1 A3 W10 A19 V20 I22 V34 V50M1-A29 HydrophobicContact SD-CB 4.2Å; A3-A29 HydrophobicContact CB-CB 4.12Å; W10-A29 CarbonylContact O-C 3.52Å; W10-A29 VanDerWaalsContact O-CA 3.23Å; W10-A29 WeakPolarHBondContact O-CA 3.28Å; A19-A29 CarbonylContact C-O 3.53Å; A19-A29 WeakPolarHBondContact CA-O 3.34Å; A19-A29 VanDerWaalsContact CB-O 3.28Å; A19-A29 WeakPolarHBondContact CB-O 3.38Å; V20-A29 PolarHBondContact N-O 3.26Å; V20-A29 PolarHBondContact O-N 3.48Å; I22-A29 HydrophobicContact CD1-CB 4.25Å; I22-A29 HydrophobicContact CG1-CB 3.93Å; A29-V34 HydrophobicContact CB-CG2 3.87Å; A29-V34 WeakPolarHBondContact O-CG1 3.5Å; A29-V50 HydrophobicContact CB-CG1 3.74Å
30G94.2Very high93.4Very high1 Ų134 Ų341%0.0118%0.18CC..EExtended strand (participates in β ladder)trans-109.7173.9168.800000111N9 W10 V34N9-G30 CarbonylContact C-O 3.57Å; N9-G30 VanDerWaalsContact CA-O 3.26Å; N9-G30 WeakPolarHBondContact CA-O 3.48Å; W10-G30 PolarHBondContact N-O 3.16Å; W10-G30 PolarHBondContact O-N 3.26Å; G30-V34 WeakPolarHBondContact O-CG2 3.32Å
31G94.5Very high93.4Very high3 Ų333.2 Ų33.23%0.03118%0.176CC..SBendtrans115.6173.3173.500000115.7P7 F8 D33 V34 Q35P7-G31 WeakPolarHBondContact O-CA 3.5Å; F8-G31 CarbonylContact O-C 3.56Å; F8-G31 VanDerWaalsContact O-C 3.26Å; G31-D33 VanDerWaalsContact C-N 3.34Å; G31-D33 PolarHBondContact O-N 3.47Å; G31-V34 WeakPolarHBondContact O-CB 3.48Å; G31-V34 PolarHBondContact O-N 2.97Å; G31-V34 VanDerWaalsContact O-N 3.08Å; G31-Q35 PolarHBondContact O-N 3.47Å; G31-Q35 VanDerWaalsContact O-N 3.07Å
32Y95.9Very high93.5Very high0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-54.9-47.2-173.9-178.3-102000112.6P7 F8 V34 Q35 M36 Y90 Y91 R224 V227 M228P7-Y32 PolarHBondContact O-N 2.69Å; F8-Y32 HydrophobicContact CD1-CD1 4.06Å; F8-Y32 HydrophobicContact CE1-CD1 4.29Å; F8-Y32 PolarHBondContact O-N 2.98Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 3.41Å; Y32-Q35 PolarHBondContact O-N 2.9Å; Y32-Q35 VanDerWaalsContact O-N 3.14Å; Y32-M36 HydrophobicContact CD1-CG 4.23Å; Y32-M36 HydrophobicContact CE1-CG 3.88Å; Y32-M36 HydrophobicContact CE2-CE 3.95Å; Y32-M36 HydrophobicContact CE2-CG 4.42Å; Y32-M36 WeakPolarHBondContact O-CG 3.49Å; Y32-M36 PolarHBondContact O-N 3.38Å; Y32-Y90 HydrophobicContact CD1-CD2 4.22Å; Y32-Y90 AromaticContact CD1-CE2 3.9Å; Y32-Y90 HydrophobicContact CD1-CE2 3.9Å; Y32-Y90 AromaticContact CE1-CD2 3.44Å; Y32-Y90 HydrophobicContact CE1-CD2 3.44Å; Y32-Y90 VanDerWaalsContact CE1-CD2 3.44Å; Y32-Y90 AromaticContact CE1-CE2 3.57Å; Y32-Y90 HydrophobicContact CE1-CE2 3.57Å; Y32-Y90 PolarHBondContact OH-O 2.99Å; Y32-Y91 HydrophobicContact CE1-CD2 4.02Å; Y32-Y91 HydrophobicContact CE1-CG 4.15Å; Y32-Y91 AromaticContact CZ-CD2 3.89Å; Y32-R224 VanDerWaalsContact CE2-O 3.28Å; Y32-R224 WeakPolarHBondContact CE2-O 3.44Å; Y32-R224 WeakPolarHBondContact OH-CB 3.21Å; Y32-V227 HydrophobicContact CD2-CB 4.07Å; Y32-V227 HydrophobicContact CD2-CG1 3.69Å; Y32-V227 HydrophobicContact CE2-CB 3.94Å; Y32-V227 HydrophobicContact CE2-CG1 3.95Å; Y32-M228 HydrophobicContact CD1-CE 3.62Å; Y32-M228 HydrophobicContact CD2-CB 3.86Å; Y32-M228 HydrophobicContact CD2-CE 3.9Å; Y32-M228 HydrophobicContact CD2-SD 4.34Å; Y32-M228 HydrophobicContact CE1-CE 4.06Å; Y32-M228 HydrophobicContact CE2-CB 4Å; Y32-M228 HydrophobicContact CE2-CE 4.36Å; Y32-M228 HydrophobicContact CG-CE 3.53Å; Y32-M228 HydrophobicContact CG-SD 4.24Å
33D97.5Very high93.7Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-60.6-37.5177.8-65.7-18.6000112F8 N9 G31 M36 A37 I71 A72 G73 Y90F8-D33 WeakPolarHBondContact CB-OD2 3.49Å; F8-D33 WeakPolarHBondContact CD1-OD1 3.19Å; F8-D33 VanDerWaalsContact O-CB 3.26Å; F8-D33 WeakPolarHBondContact O-CB 3.46Å; F8-D33 PolarHBondContact O-N 3.06Å; N9-D33 HydrophobicContact CB-CB 4.28Å; N9-D33 PolarHBondContact ND2-OD2 3Å; G31-D33 VanDerWaalsContact C-N 3.34Å; G31-D33 PolarHBondContact O-N 3.47Å; D33-M36 PolarHBondContact O-N 2.98Å; D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 3.46Å; D33-I71 HydrophobicContact CB-CG2 3.9Å; D33-A72 WeakPolarHBondContact OD2-CA 3.4Å; D33-A72 PolarHBondContact OD2-N 3.23Å; D33-G73 PolarHBondContact OD2-N 2.95Å; D33-Y90 PolarHBondContact OD1-OH 3.21Å
34V97.6Very high93.9Very high0 Ų033 Ų330%018%0.177CC..Hα-helixtrans-67.5-42178.4-177.30000109.7M1 V20 A29 G30 G31 Y32 A37 K38M1-V34 HydrophobicContact CE-CG2 4.15Å; M1-V34 HydrophobicContact SD-CG2 3.73Å; V20-V34 HydrophobicContact CB-CG1 4.08Å; V20-V34 HydrophobicContact CG2-CG1 3.68Å; A29-V34 HydrophobicContact CB-CG2 3.87Å; A29-V34 WeakPolarHBondContact O-CG1 3.5Å; G30-V34 WeakPolarHBondContact O-CG2 3.32Å; G31-V34 WeakPolarHBondContact O-CB 3.48Å; G31-V34 PolarHBondContact O-N 2.97Å; G31-V34 VanDerWaalsContact O-N 3.08Å; Y32-V34 VanDerWaalsContact C-N 3.27Å; Y32-V34 PolarHBondContact O-N 3.41Å; V34-A37 PolarHBondContact O-N 2.87Å; V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CB 3.48Å; V34-K38 VanDerWaalsContact O-CG 3.28Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 2.88Å
35Q97.4Very high94.6Very high40 Ų4037.6 Ų37.619%0.18718%0.176CC..Hα-helixtrans-65.7-41.1176.5-58.5-52.2-34.400111.7N17 G31 Y32 K38 K39 V227N17-Q35 PolarHBondContact O-NE2 3.49Å; G31-Q35 PolarHBondContact O-N 3.47Å; G31-Q35 VanDerWaalsContact O-N 3.07Å; Y32-Q35 PolarHBondContact O-N 2.9Å; Y32-Q35 VanDerWaalsContact O-N 3.14Å; Q35-K38 PolarHBondContact O-N 3.24Å; Q35-K39 WeakPolarHBondContact O-CG 3.2Å; Q35-K39 PolarHBondContact O-N 3.38Å; Q35-V227 HydrophobicContact CB-CG1 3.67Å; Q35-V227 HydrophobicContact CG-CG1 3.99Å
36M97.5Very high95.4Very high0 Ų042.3 Ų42.30%019%0.193CC..Hα-helixtrans-63.3-45.1173.9-66.1-59.4114.200111.3Y32 D33 K38 K39 I40 Y90 I219 V227Y32-M36 HydrophobicContact CD1-CG 4.23Å; Y32-M36 HydrophobicContact CE1-CG 3.88Å; Y32-M36 HydrophobicContact CE2-CE 3.95Å; Y32-M36 HydrophobicContact CE2-CG 4.42Å; Y32-M36 WeakPolarHBondContact O-CG 3.49Å; Y32-M36 PolarHBondContact O-N 3.38Å; D33-M36 PolarHBondContact O-N 2.98Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.35Å; M36-K39 HydrophobicContact CE-CD 3.96Å; M36-K39 PolarHBondContact O-N 2.84Å; M36-I40 VanDerWaalsContact O-CG1 3.3Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.16Å; M36-Y90 HydrophobicContact CB-CD2 4.24Å; M36-Y90 HydrophobicContact CG-CD2 3.71Å; M36-Y90 HydrophobicContact CG-CE2 4.19Å; M36-Y90 HydrophobicContact CG-CG 4.48Å; M36-I219 HydrophobicContact SD-CD1 4.03Å; M36-V227 HydrophobicContact CE-CB 4.02Å; M36-V227 HydrophobicContact CE-CG1 3.73Å; M36-V227 HydrophobicContact CE-CG2 4.09Å
37A98Very high95.9Very high3 Ų345.1 Ų45.13%0.02521%0.205CC..Hα-helixtrans-60.5-39.1176.600000112.4D33 V34 A41 L48 I71D33-A37 WeakPolarHBondContact O-CB 3.47Å; D33-A37 PolarHBondContact O-N 3.46Å; V34-A37 PolarHBondContact O-N 2.87Å; A37-A41 VanDerWaalsContact O-CB 3.25Å; A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.06Å; A37-L48 HydrophobicContact CB-CD1 3.88Å; A37-L48 HydrophobicContact CB-CD2 3.97Å; A37-I71 HydrophobicContact CB-CD1 3.62Å
38K96.9Very high96.4Very high55 Ų5547 Ų4724%0.23921%0.214CC..Hα-helixtrans-63.8-50.2174.6-75.2172.474.3-177.20111.2G18 V20 V34 Q35 M36 I40 A41 D42 L48G18-K38 WeakPolarHBondContact O-CD 3.41Å; G18-K38 PolarHBondContact O-NZ 2.84Å; V20-K38 HydrophobicContact CG2-CD 3.66Å; V20-K38 HydrophobicContact CG2-CG 3.86Å; V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CB 3.48Å; V34-K38 VanDerWaalsContact O-CG 3.28Å; V34-K38 WeakPolarHBondContact O-CG 3.42Å; V34-K38 PolarHBondContact O-N 2.88Å; Q35-K38 PolarHBondContact O-N 3.24Å; M36-K38 VanDerWaalsContact C-N 3.31Å; M36-K38 PolarHBondContact O-N 3.35Å; K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 2.82Å; K38-A41 PolarHBondContact O-N 2.97Å; K38-D42 VanDerWaalsContact O-CB 3.29Å; K38-D42 WeakPolarHBondContact O-CB 3.36Å; K38-D42 PolarHBondContact O-N 3.25Å; K38-L48 HydrophobicContact CB-CD2 4.34Å; K38-L48 HydrophobicContact CG-CD2 3.5Å
39K96.5Very high96.6Very high63 Ų6347.8 Ų47.827%0.27423%0.225SC..Hα-helixtrans-57.1-43.3178.2-71.6172.1-174-76.50111.7Q35 M36 K43 I219 E223Q35-K39 WeakPolarHBondContact O-CG 3.2Å; Q35-K39 PolarHBondContact O-N 3.38Å; M36-K39 HydrophobicContact CE-CD 3.96Å; M36-K39 PolarHBondContact O-N 2.84Å; K39-K43 WeakPolarHBondContact O-CB 3.39Å; K39-K43 WeakPolarHBondContact O-CG 3.39Å; K39-K43 PolarHBondContact O-N 3.06Å; K39-K43 VanDerWaalsContact O-N 3.13Å; K39-I219 HydrophobicContact CB-CD1 4.36Å; K39-I219 HydrophobicContact CD-CD1 4.02Å; K39-E223 WeakPolarHBondContact CE-OE1 3.41Å; K39-E223 IonicContact NZ-OE1 3.98Å; K39-E223 PolarHBondContact NZ-OE1 3.45Å
40I97.8Very high96.7Very high11 Ų1148 Ų486%0.05623%0.226CC..Hα-helixtrans-62.4-54.2175.2-66.5163.8000110.4M36 K38 D42 K43 M44 I71 V200 V212 I215 L216M36-I40 VanDerWaalsContact O-CG1 3.3Å; M36-I40 WeakPolarHBondContact O-CG1 3.39Å; M36-I40 PolarHBondContact O-N 3.16Å; K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 2.82Å; I40-D42 PolarHBondContact O-N 3.16Å; I40-K43 PolarHBondContact O-N 3.01Å; I40-M44 HydrophobicContact CG2-CG 4.35Å; I40-M44 HydrophobicContact CG2-SD 3.66Å; I40-M44 WeakPolarHBondContact O-CB 3.41Å; I40-M44 VanDerWaalsContact O-CG 3.24Å; I40-M44 WeakPolarHBondContact O-CG 3.35Å; I40-M44 PolarHBondContact O-N 2.96Å; I40-I71 HydrophobicContact CD1-CD1 3.96Å; I40-V200 HydrophobicContact CD1-CG2 4Å; I40-V212 HydrophobicContact CD1-CG1 4.32Å; I40-V212 HydrophobicContact CG2-CG2 4.14Å; I40-I215 HydrophobicContact CG1-CG2 4.02Å; I40-L216 HydrophobicContact CD1-CD2 4.05Å; I40-L216 HydrophobicContact CG1-CD2 4.33Å
41A97.4Very high96.7Very high9 Ų948.8 Ų48.87%0.07423%0.231CC..Hα-helixtrans-60.7-44.1-177.300000112.7A37 K38 M44 H45 R46 L48A37-A41 VanDerWaalsContact O-CB 3.25Å; A37-A41 WeakPolarHBondContact O-CB 3.38Å; A37-A41 PolarHBondContact O-N 3.06Å; K38-A41 PolarHBondContact O-N 2.97Å; A41-M44 CarbonylContact O-C 3.59Å; A41-M44 PolarHBondContact O-N 3.26Å; A41-H45 PolarHBondContact O-N 3.18Å; A41-R46 CarbonylContact C-O 3.51Å; A41-R46 PolarHBondContact O-N 2.89Å; A41-L48 HydrophobicContact CB-CB 3.82Å; A41-L48 HydrophobicContact CB-CD1 4.49Å
42D96.7Very high96.6Very high104 Ų10449 Ų4956%0.55623%0.231SC*.Hα-helixtrans-62.9-45.7179.7-69.8-20.9000111.1K38 I40 M44 H45K38-D42 VanDerWaalsContact O-CB 3.29Å; K38-D42 WeakPolarHBondContact O-CB 3.36Å; K38-D42 PolarHBondContact O-N 3.25Å; I40-D42 PolarHBondContact O-N 3.16Å; D42-M44 VanDerWaalsContact C-N 3.31Å; D42-M44 PolarHBondContact O-N 2.87Å; D42-H45 PolarHBondContact O-N 3.45Å; D42-H45 VanDerWaalsContact O-N 3.08Å
43K97.1Very high96.4Very high91 Ų9149.1 Ų49.140%0.39623%0.231SC..Hα-helixtrans-70.1-25176-75.4-163.7-179.7-1770113.6K39 I40 H45 I215 D218K39-K43 WeakPolarHBondContact O-CB 3.39Å; K39-K43 WeakPolarHBondContact O-CG 3.39Å; K39-K43 PolarHBondContact O-N 3.06Å; K39-K43 VanDerWaalsContact O-N 3.13Å; I40-K43 PolarHBondContact O-N 3.01Å; K43-H45 VanDerWaalsContact C-N 3.27Å; K43-I215 HydrophobicContact CB-CD1 3.66Å; K43-I215 HydrophobicContact CB-CG1 3.78Å; K43-I215 HydrophobicContact CB-CG2 4.24Å; K43-I215 HydrophobicContact CD-CB 4.27Å; K43-I215 HydrophobicContact CD-CG1 3.92Å; K43-I215 HydrophobicContact CD-CG2 3.76Å; K43-I215 HydrophobicContact CG-CG2 4.46Å; K43-D218 IonicContact NZ-OD2 2.68Å; K43-D218 PolarHBondContact NZ-OD2 3.04Å
44M96.6Very high95.8Very high23 Ų2351 Ų5111%0.11324%0.24CC..THydrogen-bonded Turntrans-82.6-3.5171-68.1-179.279.100113.1I40 A41 D42 R46 D208 Q211 V212 I215I40-M44 HydrophobicContact CG2-CG 4.35Å; I40-M44 HydrophobicContact CG2-SD 3.66Å; I40-M44 WeakPolarHBondContact O-CB 3.41Å; I40-M44 VanDerWaalsContact O-CG 3.24Å; I40-M44 WeakPolarHBondContact O-CG 3.35Å; I40-M44 PolarHBondContact O-N 2.96Å; A41-M44 CarbonylContact O-C 3.59Å; A41-M44 PolarHBondContact O-N 3.26Å; D42-M44 VanDerWaalsContact C-N 3.31Å; D42-M44 PolarHBondContact O-N 2.87Å; M44-R46 HydrophobicContact CB-CB 4.46Å; M44-R46 HydrophobicContact CB-CG 4.07Å; M44-R46 PolarHBondContact O-N 3.36Å; M44-D208 HydrophobicContact CE-CB 3.74Å; M44-Q211 HydrophobicContact CG-CG 4.32Å; M44-V212 HydrophobicContact SD-CG2 4.08Å; M44-I215 HydrophobicContact CG-CD1 3.51Å
45H96.2Very high95.2Very high178 Ų17852.2 Ų52.282%0.82425%0.245SC*.THydrogen-bonded Turntrans55.737.3-172.1-53.4-62.2000113.3A41 D42 K43A41-H45 PolarHBondContact O-N 3.18Å; D42-H45 PolarHBondContact O-N 3.45Å; D42-H45 VanDerWaalsContact O-N 3.08Å; K43-H45 VanDerWaalsContact C-N 3.27Å
46R96.3Very high94.6Very high118 Ų11855.1 Ų55.145%0.44526%0.261SS..  trans-114.3150179-64.6-171.8-178.7-178.19110.8A41 M44 L48 D208A41-R46 CarbonylContact C-O 3.51Å; A41-R46 PolarHBondContact O-N 2.89Å; M44-R46 HydrophobicContact CB-CB 4.46Å; M44-R46 HydrophobicContact CB-CG 4.07Å; M44-R46 PolarHBondContact O-N 3.36Å; R46-L48 PolarHBondContact O-N 3.06Å; R46-D208 IonicContact CZ-OD1 3.52Å; R46-D208 IonicContact CZ-OD2 3.59Å; R46-D208 IonicContact NH1-OD2 3.06Å; R46-D208 PolarHBondContact NH1-OD2 3Å; R46-D208 IonicContact NH2-OD1 3.68Å; R46-D208 PolarHBondContact NH2-OD1 3.46Å; R46-D208 IonicContact NH2-OD2 3.76Å; R46-D208 PolarHBondContact NH2-OD2 2.88Å
47K96Very high94.1Very high189 Ų18955.2 Ų55.282%0.82226%0.262SS*.  trans-76.6120171.9-178.5-178.3177.9-1780109.4V49K47-V49 PolarHBondContact O-N 3.11Å
48L97.4Very high93.8Very high43 Ų4355 Ų5523%0.22526%0.261CS..  trans-66.7128.4171.6-179.660.8000110.9V20 A37 K38 A41 R46 V50V20-L48 HydrophobicContact CG1-CD2 4.28Å; V20-L48 HydrophobicContact CG1-CG 4.41Å; V20-L48 HydrophobicContact CG2-CD2 3.99Å; A37-L48 HydrophobicContact CB-CD1 3.88Å; A37-L48 HydrophobicContact CB-CD2 3.97Å; K38-L48 HydrophobicContact CB-CD2 4.34Å; K38-L48 HydrophobicContact CG-CD2 3.5Å; A41-L48 HydrophobicContact CB-CB 3.82Å; A41-L48 HydrophobicContact CB-CD1 4.49Å; R46-L48 PolarHBondContact O-N 3.06Å; L48-V50 HydrophobicContact CD2-CG2 4.3Å; L48-V50 HydrophobicContact CG-CG2 4.23Å
49V96.8Very high93.6Very high73 Ų7354.4 Ų54.444%0.44226%0.26SS..  trans-121.7112.5172.1-179.80000108Q23 K47 V51Q23-V49 HydrophobicContact CB-CG1 3.86Å; Q23-V49 HydrophobicContact CG-CG1 4.05Å; K47-V49 PolarHBondContact O-N 3.11Å; V49-V51 HydrophobicContact CG1-CG2 4.22Å
50V97.1Very high93.3Very high3 Ų353.3 Ų53.32%0.01826%0.259CS..BIsolated β-bridgetrans-86.8116.8177.7177.50000109.8M1 V20 I22 Q23 A29 L48M1-V50 HydrophobicContact CE-CG1 4.27Å; M1-V50 HydrophobicContact CE-CG2 4.33Å; M1-V50 HydrophobicContact CG-CG1 3.85Å; M1-V50 HydrophobicContact SD-CG1 3.69Å; V20-V50 HydrophobicContact CB-CG2 3.95Å; V20-V50 HydrophobicContact CG1-CG2 3.82Å; I22-V50 HydrophobicContact CG1-CG1 4.23Å; Q23-V50 WeakPolarHBondContact CB-O 3.4Å; Q23-V50 PolarHBondContact N-O 3.33Å; A29-V50 HydrophobicContact CB-CG1 3.74Å; L48-V50 HydrophobicContact CD2-CG2 4.3Å; L48-V50 HydrophobicContact CG-CG2 4.23Å
51V94.3Very high93Very high19 Ų1952.9 Ų52.912%0.11526%0.257CS..  trans-105.5110.2174.6-178.60000108.3M1 Q23 V49 T53 I67M1-V51 PolarHBondContact N-O 3.46Å; M1-V51 VanDerWaalsContact N-O 3.16Å; Q23-V51 HydrophobicContact CB-CG2 4.43Å; V49-V51 HydrophobicContact CG1-CG2 4.22Å; V51-T53 PolarHBondContact O-N 2.99Å; V51-I67 HydrophobicContact CB-CG2 3.67Å; V51-I67 HydrophobicContact CG1-CG2 3.85Å; V51-I67 HydrophobicContact CG2-CG2 4.02Å
52K91.9Very high92.9Very high8 Ų852.4 Ų52.44%0.03525%0.253CS..  trans-74119.6178.2-173.6177.3174.2159.80109.8M1 E2 A3 T11 I22 R346 S426 F432 S436M1-K52 CarbonylContact O-C 3.5Å; M1-K52 VanDerWaalsContact O-CA 3.3Å; M1-K52 WeakPolarHBondContact O-CA 3.44Å; E2-K52 WeakPolarHBondContact O-CE 3.35Å; E2-K52 WeakPolarHBondContact O-CG 3.34Å; A3-K52 HydrophobicContact CB-CD 4.03Å; A3-K52 HydrophobicContact CB-CG 4.03Å; T11-K52 PolarHBondContact OG1-NZ 3.38Å; I22-K52 HydrophobicContact CD1-CB 4.45Å; I22-K52 HydrophobicContact CD1-CD 4.17Å; I22-K52 HydrophobicContact CG2-CB 3.59Å; K52-R346 PolarHBondContact O-NH1 3.42Å; K52-R346 PolarHBondContact O-NH2 3.48Å; K52-S426 WeakPolarHBondContact O-CB 3.42Å; K52-F432 HydrophobicContact CD-CE1 3.8Å; K52-F432 HydrophobicContact CD-CZ 3.57Å; K52-F432 VanDerWaalsContact CE-CZ 3.49Å; K52-F432 HydrophobicContact CG-CE1 4.49Å; K52-F432 HydrophobicContact CG-CZ 3.84Å; K52-S436 PolarHBondContact NZ-OG 3.05Å
53T90.4Very high92.7Very high1 Ų151 Ų511%0.00624%0.244CC..  trans-144.4128.1-174.2-55.70000109.2M1 E2 V51 G57 L58 A61 R346 S426M1-T53 CarbonylContact C-O 3.59Å; M1-T53 PolarHBondContact O-N 2.99Å; E2-T53 VanDerWaalsContact CA-O 3.25Å; E2-T53 WeakPolarHBondContact CA-O 3.38Å; E2-T53 WeakPolarHBondContact CG-O 3.31Å; V51-T53 PolarHBondContact O-N 2.99Å; T53-G57 VanDerWaalsContact CG2-C 3.42Å; T53-L58 HydrophobicContact CG2-CD2 4.24Å; T53-A61 HydrophobicContact CG2-CB 4.37Å; T53-R346 PolarHBondContact OG1-NH2 2.92Å; T53-S426 WeakPolarHBondContact CA-OG 3.46Å
54E85.5Confident92.3Very high39 Ų3947.5 Ų47.518%0.18223%0.23CC..  trans-54.9151.1174-59.6-74.7146.100111.6D56 G57 L58 S426 F432 K435E54-D56 PolarHBondContact O-N 3.32Å; E54-G57 WeakPolarHBondContact O-CA 3.34Å; E54-G57 PolarHBondContact O-N 3.49Å; E54-L58 PolarHBondContact O-N 2.9Å; E54-S426 PolarHBondContact N-OG 3.31Å; E54-F432 HydrophobicContact CG-CE2 4.34Å; E54-F432 VanDerWaalsContact OE1-CE2 3.28Å; E54-F432 WeakPolarHBondContact OE1-CE2 3.33Å; E54-K435 VanDerWaalsContact OE1-CE 3.3Å; E54-K435 WeakPolarHBondContact OE1-CE 3.48Å; E54-K435 IonicContact OE1-NZ 2.72Å; E54-K435 PolarHBondContact OE1-NZ 2.77Å; E54-K435 IonicContact OE2-NZ 2.7Å; E54-K435 PolarHBondContact OE2-NZ 2.77Å
55W85.5Confident92.1Very high27 Ų2748.3 Ų48.310%0.10225%0.245CC..Hα-helixtrans-43.8-55.4-175.9-172.5-113.6000114.3E2 G57 L58 M74 R80E2-W55 HydrophobicContact CG-CE3 4.46Å; E2-W55 WeakPolarHBondContact OE1-CB 3.44Å; E2-W55 PolarHBondContact OE1-N 2.87Å; E2-W55 VanDerWaalsContact OE2-CE3 3.25Å; W55-G57 PolarHBondContact O-N 3.45Å; W55-G57 VanDerWaalsContact O-N 3.16Å; W55-L58 HydrophobicContact CD2-CD1 4.34Å; W55-L58 HydrophobicContact CE3-CD1 3.57Å; W55-L58 HydrophobicContact CZ3-CD1 4.04Å; W55-L58 WeakPolarHBondContact O-CB 3.33Å; W55-L58 WeakPolarHBondContact O-CG 3.38Å; W55-L58 PolarHBondContact O-N 2.91Å; W55-M74 HydrophobicContact CE3-CE 4.45Å; W55-M74 HydrophobicContact CH2-CB 4Å; W55-M74 HydrophobicContact CH2-CE 3.97Å; W55-M74 HydrophobicContact CH2-CG 4.04Å; W55-M74 HydrophobicContact CZ2-CE 4.27Å; W55-M74 HydrophobicContact CZ3-CB 4.36Å; W55-M74 HydrophobicContact CZ3-CE 4.05Å; W55-R80 VanDerWaalsContact CZ2-NH2 3.3Å
56D84.6Confident91.7Very high101 Ų10141 Ų4154%0.5421%0.211SC..Hα-helixtrans-66.4-19.2-177.5-65.3-24.1000113.3E54 P60E54-D56 PolarHBondContact O-N 3.32Å; D56-P60 VanDerWaalsContact O-CD 3.28Å; D56-P60 WeakPolarHBondContact O-CD 3.32Å
57G86.8Confident91.7Very high1 Ų136 Ų361%0.0119%0.193CC..Hα-helixtrans-85.2-13.1175.500000114.1T53 E54 W55 A61T53-G57 VanDerWaalsContact CG2-C 3.42Å; E54-G57 WeakPolarHBondContact O-CA 3.34Å; E54-G57 PolarHBondContact O-N 3.49Å; W55-G57 PolarHBondContact O-N 3.45Å; W55-G57 VanDerWaalsContact O-N 3.16Å; G57-A61 WeakPolarHBondContact O-CB 3.44Å; G57-A61 PolarHBondContact O-N 3.01Å
58L92Very high91.7Very high0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-65.6-50.6-173.6-69171.5000112.6E2 T53 E54 W55 A61 L62 I70 A72 M74E2-L58 HydrophobicContact CG-CD1 4.28Å; T53-L58 HydrophobicContact CG2-CD2 4.24Å; E54-L58 PolarHBondContact O-N 2.9Å; W55-L58 HydrophobicContact CD2-CD1 4.34Å; W55-L58 HydrophobicContact CE3-CD1 3.57Å; W55-L58 HydrophobicContact CZ3-CD1 4.04Å; W55-L58 WeakPolarHBondContact O-CB 3.33Å; W55-L58 WeakPolarHBondContact O-CG 3.38Å; W55-L58 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.28Å; L58-L62 PolarHBondContact O-N 3.36Å; L58-I70 HydrophobicContact CB-CD1 3.98Å; L58-I70 HydrophobicContact CB-CG1 4.27Å; L58-I70 HydrophobicContact CB-CG2 4.37Å; L58-I70 HydrophobicContact CD1-CG2 4.08Å; L58-I70 HydrophobicContact CD2-CG2 4.44Å; L58-A72 HydrophobicContact CD1-CB 3.93Å; L58-M74 HydrophobicContact CB-CE 4.26Å; L58-M74 HydrophobicContact CD1-CE 3.98Å
59L92.1Very high91.7Very high42 Ų4231.3 Ų31.322%0.2218%0.182CC..Hα-helixtrans-64.2-49.2179.6-70173.5000111.8A61 L62 Q63 I70 M74 V84L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.48Å; L59-L62 PolarHBondContact O-N 3.31Å; L59-L62 VanDerWaalsContact O-N 3.17Å; L59-Q63 WeakPolarHBondContact O-CG 3.29Å; L59-Q63 PolarHBondContact O-N 2.87Å; L59-I70 HydrophobicContact CD2-CD1 3.94Å; L59-M74 HydrophobicContact CD2-SD 4.48Å; L59-V84 HydrophobicContact CD2-CB 4.39Å; L59-V84 HydrophobicContact CD2-CG1 3.75Å; L59-V84 HydrophobicContact CD2-CG2 3.7Å
60P90.3Very high91.8Very high39 Ų3927.9 Ų27.925%0.25316%0.16SC..Hα-helixtrans-57.7-38.9173.5-26.734.9000113.5D56 S64 Y334D56-P60 VanDerWaalsContact O-CD 3.28Å; D56-P60 WeakPolarHBondContact O-CD 3.32Å; P60-S64 VanDerWaalsContact O-CB 3.25Å; P60-S64 WeakPolarHBondContact O-CB 3.4Å; P60-S64 PolarHBondContact O-N 2.74Å; P60-S64 PolarHBondContact O-OG 3.18Å; P60-Y334 HydrophobicContact CB-CD1 3.95Å; P60-Y334 HydrophobicContact CB-CD2 3.83Å; P60-Y334 HydrophobicContact CB-CE1 4.19Å; P60-Y334 HydrophobicContact CB-CE2 4.06Å; P60-Y334 HydrophobicContact CB-CG 3.78Å
61A92Very high91.8Very high2 Ų228.5 Ų28.52%0.01716%0.164CC..Hα-helixtrans-64.2-40.6177.500000112T53 G57 L58 L59 S64 G65 K66 I67 Y334T53-A61 HydrophobicContact CG2-CB 4.37Å; G57-A61 WeakPolarHBondContact O-CB 3.44Å; G57-A61 PolarHBondContact O-N 3.01Å; L58-A61 PolarHBondContact O-N 3.28Å; L59-A61 VanDerWaalsContact C-N 3.29Å; L59-A61 PolarHBondContact O-N 3.48Å; A61-S64 PolarHBondContact O-OG 3.48Å; A61-G65 PolarHBondContact O-N 2.84Å; A61-K66 HydrophobicContact CB-CB 4.18Å; A61-K66 WeakPolarHBondContact O-CB 3.29Å; A61-K66 PolarHBondContact O-N 3.06Å; A61-I67 HydrophobicContact CB-CD1 3.93Å; A61-I67 HydrophobicContact CB-CG1 3.96Å; A61-I67 PolarHBondContact O-N 3.3Å; A61-Y334 HydrophobicContact CB-CE1 4.06Å
62L95.5Very high91.8Very high0 Ų027.6 Ų27.60%016%0.158CC..Hα-helixtrans-67.5-46.5177.4178.561.6000111.6L58 L59 S64 G65 I67 D68 I70 V84 R203L58-L62 PolarHBondContact O-N 3.36Å; L59-L62 PolarHBondContact O-N 3.31Å; L59-L62 VanDerWaalsContact O-N 3.17Å; L62-S64 PolarHBondContact O-N 2.89Å; L62-G65 PolarHBondContact O-N 3.47Å; L62-I67 HydrophobicContact CB-CD1 4.26Å; L62-I67 HydrophobicContact CB-CG1 4.04Å; L62-I67 HydrophobicContact CD1-CG1 4.43Å; L62-D68 WeakPolarHBondContact CD1-O 3.35Å; L62-I70 HydrophobicContact CB-CD1 3.92Å; L62-I70 HydrophobicContact CB-CG1 4.16Å; L62-I70 HydrophobicContact CD2-CD1 3.57Å; L62-I70 HydrophobicContact CD2-CG1 3.93Å; L62-I70 HydrophobicContact CG-CD1 4.37Å; L62-V84 HydrophobicContact CD2-CB 4.14Å; L62-V84 HydrophobicContact CD2-CG1 3.73Å; L62-R203 HydrophobicContact CD1-CG 4.01Å; L62-R203 HydrophobicContact CG-CG 4.07Å; L62-R203 WeakPolarHBondContact O-CG 3.28Å; L62-R203 PolarHBondContact O-NH1 2.94Å
63Q92.1Very high91.8Very high75 Ų7527.4 Ų27.435%0.3516%0.159SC..Hα-helixtrans-64.6-38179.6-71.8178.7-29.300112.4L59 G65 E83 M338L59-Q63 WeakPolarHBondContact O-CG 3.29Å; L59-Q63 PolarHBondContact O-N 2.87Å; Q63-G65 VanDerWaalsContact C-N 3.26Å; Q63-G65 PolarHBondContact O-N 3.16Å; Q63-E83 PolarHBondContact NE2-OE2 2.94Å; Q63-E83 VanDerWaalsContact NE2-OE2 3.13Å; Q63-M338 HydrophobicContact CB-CE 3.94Å
64S89.8Confident91.9Very high16 Ų1627.5 Ų27.511%0.11216%0.159CC..THydrogen-bonded Turntrans-80-2.2177.759.80000114.4P60 A61 L62 K66P60-S64 VanDerWaalsContact O-CB 3.25Å; P60-S64 WeakPolarHBondContact O-CB 3.4Å; P60-S64 PolarHBondContact O-N 2.74Å; P60-S64 PolarHBondContact O-OG 3.18Å; A61-S64 PolarHBondContact O-OG 3.48Å; L62-S64 PolarHBondContact O-N 2.89Å; S64-K66 VanDerWaalsContact C-N 3.31Å; S64-K66 PolarHBondContact O-N 3.07Å; S64-K66 WeakPolarHBondContact OG-CG 3.43Å
65G90.8Very high92.2Very high41 Ų4126.1 Ų26.142%0.42315%0.154SC..THydrogen-bonded Turntrans76.911.5-179.800000115A61 L62 Q63 I67A61-G65 PolarHBondContact O-N 2.84Å; L62-G65 PolarHBondContact O-N 3.47Å; Q63-G65 VanDerWaalsContact C-N 3.26Å; Q63-G65 PolarHBondContact O-N 3.16Å; G65-I67 PolarHBondContact O-N 3.35Å
66K89.4Confident92.5Very high25 Ų2524.9 Ų24.911%0.10915%0.149CC..SBendtrans-70.6-23.5175.3-64.3-70.6-176169.50112.8A61 S64 A337 D343 L344A61-K66 HydrophobicContact CB-CB 4.18Å; A61-K66 WeakPolarHBondContact O-CB 3.29Å; A61-K66 PolarHBondContact O-N 3.06Å; S64-K66 VanDerWaalsContact C-N 3.31Å; S64-K66 PolarHBondContact O-N 3.07Å; S64-K66 WeakPolarHBondContact OG-CG 3.43Å; K66-A337 VanDerWaalsContact CE-CB 3.48Å; K66-D343 WeakPolarHBondContact CD-OD1 3.19Å; K66-D343 VanDerWaalsContact CE-OD1 3.31Å; K66-D343 WeakPolarHBondContact CE-OD1 3.28Å; K66-D343 IonicContact NZ-OD1 2.71Å; K66-D343 PolarHBondContact NZ-OD1 2.96Å; K66-L344 PolarHBondContact NZ-O 2.88Å
67I95.3Very high92.7Very high12 Ų1221 Ų216%0.06213%0.129CC..  trans-137.4154.617261.6178.7000108.9V51 A61 L62 G65 I70 R203V51-I67 HydrophobicContact CB-CG2 3.67Å; V51-I67 HydrophobicContact CG1-CG2 3.85Å; V51-I67 HydrophobicContact CG2-CG2 4.02Å; A61-I67 HydrophobicContact CB-CD1 3.93Å; A61-I67 HydrophobicContact CB-CG1 3.96Å; A61-I67 PolarHBondContact O-N 3.3Å; L62-I67 HydrophobicContact CB-CD1 4.26Å; L62-I67 HydrophobicContact CB-CG1 4.04Å; L62-I67 HydrophobicContact CD1-CG1 4.43Å; G65-I67 PolarHBondContact O-N 3.35Å; I67-I70 HydrophobicContact CD1-CG1 3.82Å; I67-R203 PolarHBondContact O-NH1 2.84Å
68D96.1Very high92.7Very high100 Ų10023.7 Ų23.754%0.53515%0.151SC..SBendtrans-93.6-26.4178.8-62.4-55.5000113.3L62 R203L62-D68 WeakPolarHBondContact CD1-O 3.35Å; D68-R203 IonicContact OD1-CZ 2.85Å; D68-R203 IonicContact OD1-NH1 2.77Å; D68-R203 IonicContact OD1-NH2 2.73Å; D68-R203 PolarHBondContact OD1-NH2 2.87Å
69A98Very high92.4Very high34 Ų3429.3 Ų29.328%0.28118%0.177SC..EExtended strand (participates in β ladder)trans-150.1150.2-178.700000112I71 V200 G201 M202A69-I71 HydrophobicContact CB-CG1 4.47Å; A69-V200 HydrophobicContact CB-CG1 3.81Å; A69-G201 CarbonylContact C-O 3.35Å; A69-G201 VanDerWaalsContact CA-O 3.3Å; A69-G201 WeakPolarHBondContact CA-O 3.31Å; A69-M202 HydrophobicContact CB-CG 4.3Å
70I98.2Very high92.3Very high0 Ų028.7 Ų28.70%017%0.172CC..EExtended strand (participates in β ladder)trans-104.3106.2170.3-59.4167.2000107.8L58 L59 L62 I67 A72 M74 V200 G201L58-I70 HydrophobicContact CB-CD1 3.98Å; L58-I70 HydrophobicContact CB-CG1 4.27Å; L58-I70 HydrophobicContact CB-CG2 4.37Å; L58-I70 HydrophobicContact CD1-CG2 4.08Å; L58-I70 HydrophobicContact CD2-CG2 4.44Å; L59-I70 HydrophobicContact CD2-CD1 3.94Å; L62-I70 HydrophobicContact CB-CD1 3.92Å; L62-I70 HydrophobicContact CB-CG1 4.16Å; L62-I70 HydrophobicContact CD2-CD1 3.57Å; L62-I70 HydrophobicContact CD2-CG1 3.93Å; L62-I70 HydrophobicContact CG-CD1 4.37Å; I67-I70 HydrophobicContact CD1-CG1 3.82Å; I70-A72 HydrophobicContact CG2-CB 3.82Å; I70-M74 HydrophobicContact CD1-CE 4.25Å; I70-M74 HydrophobicContact CD1-SD 4.29Å; I70-M74 HydrophobicContact CG2-CB 4.34Å; I70-M74 HydrophobicContact CG2-CE 3.82Å; I70-M74 HydrophobicContact CG2-SD 4.03Å; I70-V200 WeakPolarHBondContact O-CA 3.46Å; I70-G201 PolarHBondContact N-O 3.3Å; I70-G201 PolarHBondContact O-N 3.47Å
71I97.9Very high92.4Very high16 Ų1631.8 Ų31.88%0.08218%0.179CC..  trans-118.489.7170.4-47.5178.7000105.6M1 D33 A37 I40 A69 Y90 V200M1-I71 WeakPolarHBondContact CB-O 3.46Å; D33-I71 HydrophobicContact CB-CG2 3.9Å; A37-I71 HydrophobicContact CB-CD1 3.62Å; I40-I71 HydrophobicContact CD1-CD1 3.96Å; A69-I71 HydrophobicContact CB-CG1 4.47Å; I71-Y90 HydrophobicContact CG2-CE1 4.16Å; I71-Y90 HydrophobicContact CG2-CE2 4.44Å; I71-V200 HydrophobicContact CD1-CG1 4.25Å; I71-V200 HydrophobicContact CD1-CG2 4.2Å; I71-V200 HydrophobicContact CG1-CB 4.33Å; I71-V200 HydrophobicContact CG1-CG1 3.74Å; I71-V200 HydrophobicContact CG1-CG2 3.93Å
72A94.5Very high92.4Very high0 Ų037.5 Ų37.50%020%0.203CC..SBendtrans-151.431.1-163.200000113.2M1 D33 L58 I70 M74M1-A72 HydrophobicContact CB-CB 3.88Å; D33-A72 WeakPolarHBondContact OD2-CA 3.4Å; D33-A72 PolarHBondContact OD2-N 3.23Å; L58-A72 HydrophobicContact CD1-CB 3.93Å; I70-A72 HydrophobicContact CG2-CB 3.82Å; A72-M74 VanDerWaalsContact C-N 3.27Å; A72-M74 PolarHBondContact O-N 3.01Å
73G91Very high92.2Very high5 Ų542.4 Ų42.45%0.05223%0.226CC..SBendtrans66.525.9-174.200000114.2D33 Y90 V198D33-G73 PolarHBondContact OD2-N 2.95Å; G73-Y90 PolarHBondContact N-OH 3.42Å; G73-V198 VanDerWaalsContact CA-CG1 3.46Å
74M92Very high92.4Very high3 Ų338.9 Ų38.92%0.01521%0.21CC..  trans-88.2123.6-174.2-173.1174.9-75.700113.4W55 L58 L59 I70 A72 F86 S199W55-M74 HydrophobicContact CE3-CE 4.45Å; W55-M74 HydrophobicContact CH2-CB 4Å; W55-M74 HydrophobicContact CH2-CE 3.97Å; W55-M74 HydrophobicContact CH2-CG 4.04Å; W55-M74 HydrophobicContact CZ2-CE 4.27Å; W55-M74 HydrophobicContact CZ3-CB 4.36Å; W55-M74 HydrophobicContact CZ3-CE 4.05Å; L58-M74 HydrophobicContact CB-CE 4.26Å; L58-M74 HydrophobicContact CD1-CE 3.98Å; L59-M74 HydrophobicContact CD2-SD 4.48Å; I70-M74 HydrophobicContact CD1-CE 4.25Å; I70-M74 HydrophobicContact CD1-SD 4.29Å; I70-M74 HydrophobicContact CG2-CB 4.34Å; I70-M74 HydrophobicContact CG2-CE 3.82Å; I70-M74 HydrophobicContact CG2-SD 4.03Å; A72-M74 VanDerWaalsContact C-N 3.27Å; A72-M74 PolarHBondContact O-N 3.01Å; M74-F86 HydrophobicContact CG-CE1 3.94Å; M74-F86 HydrophobicContact CG-CZ 4.22Å; M74-F86 HydrophobicContact SD-CE1 3.88Å; M74-F86 HydrophobicContact SD-CZ 3.88Å; M74-S199 PolarHBondContact O-N 3.43Å; M74-S199 VanDerWaalsContact O-N 3.09Å
75S91.9Very high92.8Very high10 Ų1040.7 Ų40.77%0.0722%0.218CC..  trans-74.6137.4171.2-48.50000113.2T77 R80 D195 Q197S75-T77 PolarHBondContact O-N 3.41Å; S75-R80 WeakPolarHBondContact O-CD 3.25Å; S75-R80 PolarHBondContact O-NH1 3.24Å; S75-D195 WeakPolarHBondContact CB-O 3.3Å; S75-D195 PolarHBondContact OG-O 3.36Å; S75-Q197 WeakPolarHBondContact CA-O 3.38Å; S75-Q197 WeakPolarHBondContact CB-O 3.21Å; S75-Q197 PolarHBondContact OG-O 2.84Å
76P92.9Very high93.1Very high0 Ų039.4 Ų39.40%020%0.201CC..  trans-80.554.7179.537-40.2000112.8R81 F86 E194 Q197P76-R81 PolarHBondContact O-NE 3.34Å; P76-F86 HydrophobicContact CB-CB 3.6Å; P76-F86 HydrophobicContact CB-CD1 3.72Å; P76-F86 HydrophobicContact CB-CD2 3.71Å; P76-F86 HydrophobicContact CB-CE1 4.28Å; P76-F86 HydrophobicContact CB-CE2 4.27Å; P76-F86 HydrophobicContact CB-CG 3.39Å; P76-E194 VanDerWaalsContact CD-O 3.29Å; P76-E194 WeakPolarHBondContact CD-O 3.34Å; P76-E194 HydrophobicContact CG-CB 4.4Å; P76-Q197 VanDerWaalsContact CD-O 3.27Å; P76-Q197 WeakPolarHBondContact CD-O 3.4Å; P76-Q197 HydrophobicContact CG-CB 4.41Å
77T87.6Confident93.5Very high19 Ų1938.3 Ų38.312%0.11720%0.196CC..  trans-59.8151.4-177.368.70000112S75 E79 R80 R81S75-T77 PolarHBondContact O-N 3.41Å; T77-E79 PolarHBondContact O-N 3.48Å; T77-E79 VanDerWaalsContact O-N 3.11Å; T77-R80 PolarHBondContact O-N 3.02Å; T77-R80 WeakPolarHBondContact OG1-CG 3.44Å; T77-R80 PolarHBondContact OG1-N 3.17Å; T77-R81 PolarHBondContact O-N 3.44Å
78A87.7Confident93.5Very high58 Ų5841.8 Ų41.848%0.47922%0.215SC..THydrogen-bonded Turntrans-51.8-36177.800000113.6
79E86.1Confident93.5Very high118 Ų11838.5 Ų38.555%0.55120%0.2SC*.THydrogen-bonded Turntrans-68.1-45.6176.8-168.260.9-162.900111.8T77 R81 K82T77-E79 PolarHBondContact O-N 3.48Å; T77-E79 VanDerWaalsContact O-N 3.11Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.96Å; E79-K82 VanDerWaalsContact O-CB 3.31Å; E79-K82 WeakPolarHBondContact O-CB 3.41Å; E79-K82 PolarHBondContact O-N 3.29Å; E79-K82 VanDerWaalsContact O-N 3.12Å; E79-K82 IonicContact OE1-NZ 3.72Å; E79-K82 WeakPolarHBondContact OE2-CE 3.4Å; E79-K82 IonicContact OE2-NZ 2.84Å; E79-K82 PolarHBondContact OE2-NZ 3.08Å
80R89.5Confident93.3Very high29 Ų2936.9 Ų36.911%0.10919%0.186CC..Hα-helixtrans-66.2-32.9178.4-68174.6-176.6151.67.1112.1W55 S75 T77 K82 E83 V84 F86 S124W55-R80 VanDerWaalsContact CZ2-NH2 3.3Å; S75-R80 WeakPolarHBondContact O-CD 3.25Å; S75-R80 PolarHBondContact O-NH1 3.24Å; T77-R80 PolarHBondContact O-N 3.02Å; T77-R80 WeakPolarHBondContact OG1-CG 3.44Å; T77-R80 PolarHBondContact OG1-N 3.17Å; R80-K82 PolarHBondContact O-N 3.49Å; R80-E83 PolarHBondContact O-N 3.31Å; R80-V84 PolarHBondContact O-N 3.13Å; R80-F86 HydrophobicContact CB-CE2 3.6Å; R80-F86 HydrophobicContact CB-CZ 3.75Å; R80-S124 PolarHBondContact NH2-O 2.99Å; R80-S124 VanDerWaalsContact NH2-O 3.07Å
81R92.4Very high93Very high104 Ų10437.9 Ų37.939%0.39219%0.19SC..Hα-helixtrans-61.5-19.3174.3-75.1-176.1-179.6-95.13.3113.8P76 T77 E79 E83 V84 F86 E194 K204P76-R81 PolarHBondContact O-NE 3.34Å; T77-R81 PolarHBondContact O-N 3.44Å; E79-R81 VanDerWaalsContact C-N 3.3Å; E79-R81 PolarHBondContact O-N 2.96Å; R81-E83 VanDerWaalsContact C-N 3.29Å; R81-V84 WeakPolarHBondContact CA-O 3.44Å; R81-F86 HydrophobicContact CG-CD2 3.91Å; R81-F86 HydrophobicContact CG-CE2 4.37Å; R81-E194 IonicContact NE-OE2 3.74Å; R81-K204 VanDerWaalsContact O-CE 3.25Å; R81-K204 WeakPolarHBondContact O-CE 3.32Å; R81-K204 PolarHBondContact O-NZ 2.99Å; R81-K204 VanDerWaalsContact O-NZ 3.09Å
82K92.7Very high92.6Very high123 Ų12342 Ų4254%0.53521%0.209SC..Hα-helixtrans-70-30.3171.6-63.1175.3-175.6167.10111.8E79 R80 K204E79-K82 VanDerWaalsContact O-CB 3.31Å; E79-K82 WeakPolarHBondContact O-CB 3.41Å; E79-K82 PolarHBondContact O-N 3.29Å; E79-K82 VanDerWaalsContact O-N 3.12Å; E79-K82 IonicContact OE1-NZ 3.72Å; E79-K82 WeakPolarHBondContact OE2-CE 3.4Å; E79-K82 IonicContact OE2-NZ 2.84Å; E79-K82 PolarHBondContact OE2-NZ 3.08Å; R80-K82 PolarHBondContact O-N 3.49Å; K82-K204 VanDerWaalsContact C-NZ 3.35Å; K82-K204 VanDerWaalsContact O-CE 3.23Å; K82-K204 WeakPolarHBondContact O-CE 3.44Å; K82-K204 PolarHBondContact O-NZ 3Å
83E91Very high92.1Very high102 Ų10242.8 Ų42.848%0.47721%0.214SC..Hα-helixtrans-100.4-36.5-173.6-62.4-54.6127.300113.6Q63 R80 R81Q63-E83 PolarHBondContact NE2-OE2 2.94Å; Q63-E83 VanDerWaalsContact NE2-OE2 3.13Å; R80-E83 PolarHBondContact O-N 3.31Å; R81-E83 VanDerWaalsContact C-N 3.29Å
84V95.7Very high91.9Very high1 Ų146.6 Ų46.61%0.00623%0.231CC..SBendtrans-141.5158.1-174.5-61.50000110.9L59 L62 R80 R81 F86 M202L59-V84 HydrophobicContact CD2-CB 4.39Å; L59-V84 HydrophobicContact CD2-CG1 3.75Å; L59-V84 HydrophobicContact CD2-CG2 3.7Å; L62-V84 HydrophobicContact CD2-CB 4.14Å; L62-V84 HydrophobicContact CD2-CG1 3.73Å; R80-V84 PolarHBondContact O-N 3.13Å; R81-V84 WeakPolarHBondContact CA-O 3.44Å; V84-F86 HydrophobicContact CG2-CD2 4.31Å; V84-F86 HydrophobicContact CG2-CE2 3.57Å; V84-F86 HydrophobicContact CG2-CZ 3.77Å; V84-M202 WeakPolarHBondContact CB-O 3.13Å
85D97.4Very high92Very high54 Ų5447 Ų4729%0.28923%0.233SC..EExtended strand (participates in β ladder)trans-91.3155.5173.1-72.2-17.5000110.1G201 M202 K204 G205 M209D85-G201 CarbonylContact O-C 3.54Å; D85-G201 WeakPolarHBondContact O-CA 3.36Å; D85-M202 PolarHBondContact N-O 2.85Å; D85-M202 PolarHBondContact O-N 3.34Å; D85-K204 VanDerWaalsContact OD2-CA 3.31Å; D85-K204 WeakPolarHBondContact OD2-CA 2.88Å; D85-G205 PolarHBondContact OD2-N 3.21Å; D85-M209 HydrophobicContact CB-CE 3.71Å
86F97.9Very high92.2Very high14 Ų1446.5 Ų46.56%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-126.5141.9179.2-74.1-87.8000111.2M74 P76 R80 R81 V84 V200M74-F86 HydrophobicContact CG-CE1 3.94Å; M74-F86 HydrophobicContact CG-CZ 4.22Å; M74-F86 HydrophobicContact SD-CE1 3.88Å; M74-F86 HydrophobicContact SD-CZ 3.88Å; P76-F86 HydrophobicContact CB-CB 3.6Å; P76-F86 HydrophobicContact CB-CD1 3.72Å; P76-F86 HydrophobicContact CB-CD2 3.71Å; P76-F86 HydrophobicContact CB-CE1 4.28Å; P76-F86 HydrophobicContact CB-CE2 4.27Å; P76-F86 HydrophobicContact CB-CG 3.39Å; R80-F86 HydrophobicContact CB-CE2 3.6Å; R80-F86 HydrophobicContact CB-CZ 3.75Å; R81-F86 HydrophobicContact CG-CD2 3.91Å; R81-F86 HydrophobicContact CG-CE2 4.37Å; V84-F86 HydrophobicContact CG2-CD2 4.31Å; V84-F86 HydrophobicContact CG2-CE2 3.57Å; V84-F86 HydrophobicContact CG2-CZ 3.77Å; F86-V200 CarbonylContact C-O 3.5Å; F86-V200 VanDerWaalsContact CA-O 3.31Å; F86-V200 WeakPolarHBondContact CA-O 3.19Å
87S97.7Very high92.4Very high2 Ų246.5 Ų46.51%0.01423%0.23CC..PPolyproline II helixtrans-65.7171.1169.875.50000111.9S199 V200 M209 N213 L216S87-S199 VanDerWaalsContact O-CB 3.27Å; S87-S199 WeakPolarHBondContact O-CB 3.13Å; S87-S199 PolarHBondContact O-OG 3.26Å; S87-V200 PolarHBondContact N-O 2.9Å; S87-V200 WeakPolarHBondContact OG-CB 3.42Å; S87-V200 PolarHBondContact OG-N 3.22Å; S87-M209 VanDerWaalsContact CA-SD 3.55Å; S87-N213 WeakPolarHBondContact CA-OD1 3.46Å; S87-N213 WeakPolarHBondContact CB-OD1 3.24Å; S87-L216 WeakPolarHBondContact OG-CD1 3.5Å
88D96.3Very high92.9Very high85 Ų8545.6 Ų45.646%0.45522%0.224SC..SBendtrans-54.8148.8159.2-66.4-29.4000109.8Y90 N213 L216D88-Y90 PolarHBondContact O-N 3.21Å; D88-N213 PolarHBondContact N-OD1 3.43Å; D88-N213 WeakPolarHBondContact OD2-CB 3.35Å; D88-L216 VanDerWaalsContact O-CD1 3.32Å; D88-L216 WeakPolarHBondContact O-CD1 3.42Å
89P94.9Very high93.4Very high32 Ų3242.9 Ų42.921%0.20820%0.201CC..PPolyproline II helixtrans-64.7136.5-175.726.9-35.4000110.6Q197 V198 S199 R224P89-Q197 HydrophobicContact CB-CB 3.96Å; P89-Q197 HydrophobicContact CB-CG 3.81Å; P89-Q197 HydrophobicContact CG-CG 4.17Å; P89-V198 CarbonylContact C-O 3.54Å; P89-V198 VanDerWaalsContact CA-O 3.28Å; P89-V198 WeakPolarHBondContact CA-O 3.3Å; P89-S199 WeakPolarHBondContact CA-OG 3.31Å; P89-R224 PolarHBondContact O-NH1 3.41Å; P89-R224 PolarHBondContact O-NH2 2.94Å
90Y94.8Very high94Very high0 Ų039.3 Ų39.30%018%0.183CC..SBendtrans-101.3-7.6170.568.3-94.4000112.2Y32 D33 M36 I71 G73 D88 V198 V200Y32-Y90 HydrophobicContact CD1-CD2 4.22Å; Y32-Y90 AromaticContact CD1-CE2 3.9Å; Y32-Y90 HydrophobicContact CD1-CE2 3.9Å; Y32-Y90 AromaticContact CE1-CD2 3.44Å; Y32-Y90 HydrophobicContact CE1-CD2 3.44Å; Y32-Y90 VanDerWaalsContact CE1-CD2 3.44Å; Y32-Y90 AromaticContact CE1-CE2 3.57Å; Y32-Y90 HydrophobicContact CE1-CE2 3.57Å; Y32-Y90 PolarHBondContact OH-O 2.99Å; D33-Y90 PolarHBondContact OD1-OH 3.21Å; M36-Y90 HydrophobicContact CB-CD2 4.24Å; M36-Y90 HydrophobicContact CG-CD2 3.71Å; M36-Y90 HydrophobicContact CG-CE2 4.19Å; M36-Y90 HydrophobicContact CG-CG 4.48Å; I71-Y90 HydrophobicContact CG2-CE1 4.16Å; I71-Y90 HydrophobicContact CG2-CE2 4.44Å; G73-Y90 PolarHBondContact N-OH 3.42Å; D88-Y90 PolarHBondContact O-N 3.21Å; Y90-V198 WeakPolarHBondContact CD1-O 3.43Å; Y90-V198 HydrophobicContact CE1-CB 4.48Å; Y90-V198 HydrophobicContact CE1-CG1 3.68Å; Y90-V198 HydrophobicContact CE2-CG1 3.9Å; Y90-V198 PolarHBondContact N-O 2.95Å; Y90-V198 WeakPolarHBondContact OH-CG1 3.42Å; Y90-V200 HydrophobicContact CD1-CG2 3.91Å; Y90-V200 HydrophobicContact CE1-CG2 4.03Å
91Y92.1Very high94.2Very high21 Ų2143.7 Ų43.78%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-151.9149.1168.9-169.9-100.7000110F8 Y32 P166 V198 M228F8-Y91 AromaticContact CE1-CD1 3.94Å; F8-Y91 HydrophobicContact CE1-CD1 3.94Å; F8-Y91 HydrophobicContact CE1-CE1 4.48Å; F8-Y91 HydrophobicContact CE1-CG 4.31Å; F8-Y91 AromaticContact CZ-CD1 3.9Å; F8-Y91 HydrophobicContact CZ-CD1 3.9Å; F8-Y91 HydrophobicContact CZ-CE1 4.1Å; Y32-Y91 HydrophobicContact CE1-CD2 4.02Å; Y32-Y91 HydrophobicContact CE1-CG 4.15Å; Y32-Y91 AromaticContact CZ-CD2 3.89Å; Y91-P166 HydrophobicContact CE1-CG 3.54Å; Y91-P166 WeakPolarHBondContact OH-CG 3.16Å; Y91-V198 HydrophobicContact CD1-CG2 4.24Å; Y91-V198 PolarHBondContact N-O 3.34Å; Y91-V198 PolarHBondContact O-N 3Å; Y91-M228 HydrophobicContact CD1-CE 4.21Å; Y91-M228 HydrophobicContact CD2-CE 3.72Å; Y91-M228 HydrophobicContact CE1-CE 4.04Å; Y91-M228 HydrophobicContact CE2-CB 4Å; Y91-M228 HydrophobicContact CE2-CE 3.53Å; Y91-M228 HydrophobicContact CE2-CG 3.82Å; Y91-M228 HydrophobicContact CG-CE 4.07Å
92E88.2Confident94.3Very high102 Ų10245 Ų4548%0.47722%0.218SC..EExtended strand (participates in β ladder)trans-132.5128.8172.5-173.6170.914100107.7V196 Q197E92-V196 HydrophobicContact CG-CG2 4.32Å; E92-Q197 HydrophobicContact CB-CG 4.23Å; E92-Q197 HydrophobicContact CG-CG 3.93Å; E92-Q197 PolarHBondContact OE2-NE2 2.67Å
93S84.8Confident94.4Very high16 Ų1640.4 Ų40.411%0.11220%0.2CC..  trans-117.2-177.7-175.3-155.90000111.5R165 P166 V196S93-R165 PolarHBondContact OG-N 2.96Å; S93-P166 WeakPolarHBondContact OG-CD 3.28Å; S93-V196 PolarHBondContact N-O 3.12Å; S93-V196 VanDerWaalsContact O-CB 3.3Å; S93-V196 WeakPolarHBondContact O-CB 3.33Å; S93-V196 WeakPolarHBondContact O-CG2 3.49Å
94Q86.3Confident94.6Very high85 Ų8542.8 Ų42.840%0.39721%0.209SC..  trans-128153.1164.764.3-172.510.700109.2E164 R165 E182Q94-E164 WeakPolarHBondContact O-CA 3.31Å; Q94-R165 HydrophobicContact CG-CB 4.16Å; Q94-R165 PolarHBondContact O-N 3.2Å; Q94-E182 PolarHBondContact NE2-OE2 3.43Å
95L93.4Very high94.7Very high12 Ų1243.6 Ų43.66%0.06321%0.212CC..EExtended strand (participates in β ladder)trans-77.7140.6173.7-69.3-173.3000111.2F126 V130 V162 S163 F189 T191 V196L95-F126 HydrophobicContact CD1-CD2 4.33Å; L95-F126 HydrophobicContact CD1-CE2 3.64Å; L95-F126 HydrophobicContact CD1-CZ 4.43Å; L95-F126 HydrophobicContact CD2-CE2 3.86Å; L95-F126 HydrophobicContact CD2-CZ 3.8Å; L95-F126 HydrophobicContact CG-CE2 3.92Å; L95-F126 HydrophobicContact CG-CZ 4.29Å; L95-V130 HydrophobicContact CD1-CB 4.34Å; L95-V130 HydrophobicContact CD1-CG1 4.15Å; L95-V130 HydrophobicContact CD1-CG2 3.52Å; L95-V162 HydrophobicContact CB-CG1 4.42Å; L95-V162 HydrophobicContact CD1-CG1 3.93Å; L95-V162 HydrophobicContact CD2-CG1 4.16Å; L95-V162 HydrophobicContact CG-CG1 4.42Å; L95-S163 CarbonylContact C-O 3.53Å; L95-S163 WeakPolarHBondContact CA-O 3.25Å; L95-S163 WeakPolarHBondContact CD2-O 3.41Å; L95-F189 HydrophobicContact CB-CB 4.39Å; L95-F189 HydrophobicContact CB-CD2 3.63Å; L95-F189 HydrophobicContact CB-CE2 4.32Å; L95-F189 HydrophobicContact CB-CG 4.33Å; L95-F189 HydrophobicContact CD1-CB 4.05Å; L95-F189 HydrophobicContact CD1-CD2 4.1Å; L95-F189 HydrophobicContact CD1-CG 4.11Å; L95-T191 HydrophobicContact CD1-CG2 3.85Å; L95-T191 HydrophobicContact CG-CG2 4.33Å; L95-V196 HydrophobicContact CG-CG1 4.35Å
96V96Very high94.7Very high0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-130.6166.8177.9-56.80000108.2S163 R165 M180 V181 E182V96-S163 WeakPolarHBondContact CG2-O 3.49Å; V96-S163 PolarHBondContact N-O 3.49Å; V96-S163 PolarHBondContact O-N 3.17Å; V96-S163 VanDerWaalsContact O-O 3.08Å; V96-R165 HydrophobicContact CG1-CB 3.99Å; V96-R165 HydrophobicContact CG1-CG 4.44Å; V96-M180 HydrophobicContact CB-CG 3.83Å; V96-M180 HydrophobicContact CB-SD 4.24Å; V96-M180 HydrophobicContact CG1-CG 4.13Å; V96-M180 HydrophobicContact CG1-SD 3.98Å; V96-M180 HydrophobicContact CG2-CG 3.75Å; V96-M180 HydrophobicContact CG2-SD 3.97Å; V96-V181 WeakPolarHBondContact CA-O 3.37Å; V96-V181 WeakPolarHBondContact CB-O 3.1Å; V96-E182 HydrophobicContact CG1-CB 4.49Å; V96-E182 HydrophobicContact CG1-CG 3.89Å
97I98.5Very high94.6Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-114.5129.2164.8-63.7173.5000108.2F114 I134 Y161 V162 V181 F183 F189I97-F114 HydrophobicContact CB-CE1 4.11Å; I97-F114 HydrophobicContact CB-CE2 4.24Å; I97-F114 HydrophobicContact CB-CZ 3.78Å; I97-F114 HydrophobicContact CD1-CD1 4.01Å; I97-F114 HydrophobicContact CD1-CD2 3.7Å; I97-F114 HydrophobicContact CD1-CE1 4.1Å; I97-F114 HydrophobicContact CD1-CE2 3.8Å; I97-F114 HydrophobicContact CD1-CG 3.81Å; I97-F114 HydrophobicContact CD1-CZ 3.99Å; I97-F114 HydrophobicContact CG1-CZ 4.49Å; I97-F114 HydrophobicContact CG2-CD1 4.12Å; I97-F114 HydrophobicContact CG2-CE1 3.38Å; I97-F114 HydrophobicContact CG2-CE2 4.4Å; I97-F114 HydrophobicContact CG2-CZ 3.55Å; I97-I134 HydrophobicContact CD1-CD1 3.85Å; I97-Y161 WeakPolarHBondContact CA-O 3.47Å; I97-V162 HydrophobicContact CG1-CG2 4.38Å; I97-V181 PolarHBondContact N-O 3.42Å; I97-V181 VanDerWaalsContact N-O 3.08Å; I97-V181 WeakPolarHBondContact O-CB 3.28Å; I97-V181 PolarHBondContact O-N 3.27Å; I97-F183 HydrophobicContact CB-CE2 4.33Å; I97-F183 HydrophobicContact CB-CZ 4.28Å; I97-F183 HydrophobicContact CD1-CE2 4.15Å; I97-F183 HydrophobicContact CD1-CZ 3.93Å; I97-F183 HydrophobicContact CG1-CE2 3.94Å; I97-F183 HydrophobicContact CG1-CZ 4.1Å; I97-F189 HydrophobicContact CD1-CE2 4.13Å; I97-F189 HydrophobicContact CD1-CZ 3.8Å; I97-F189 HydrophobicContact CG1-CE2 3.85Å; I97-F189 HydrophobicContact CG1-CZ 3.9Å
98V98.2Very high94.6Very high0 Ų050.4 Ų50.40%024%0.244CC..EExtended strand (participates in β ladder)trans-91.4128.7168.6-173.70000108L153 G160 Y161 A171 L178 K179V98-L153 HydrophobicContact CB-CD2 4.39Å; V98-L153 HydrophobicContact CG1-CD2 3.87Å; V98-L153 WeakPolarHBondContact O-CD2 3.29Å; V98-G160 CarbonylContact O-C 3.55Å; V98-G160 WeakPolarHBondContact O-CA 3.41Å; V98-Y161 HydrophobicContact CB-CD1 4.2Å; V98-Y161 HydrophobicContact CB-CD2 4.39Å; V98-Y161 HydrophobicContact CB-CE1 3.65Å; V98-Y161 HydrophobicContact CB-CE2 3.85Å; V98-Y161 VanDerWaalsContact CB-CZ 3.44Å; V98-Y161 HydrophobicContact CG1-CE1 3.87Å; V98-Y161 HydrophobicContact CG2-CE1 4.4Å; V98-Y161 HydrophobicContact CG2-CE2 3.76Å; V98-Y161 PolarHBondContact N-O 3.37Å; V98-Y161 PolarHBondContact O-N 2.9Å; V98-A171 HydrophobicContact CG1-CB 3.89Å; V98-A171 HydrophobicContact CG2-CB 4.31Å; V98-L178 HydrophobicContact CG1-CB 4.24Å; V98-L178 HydrophobicContact CG1-CD1 4.35Å; V98-K179 WeakPolarHBondContact CA-O 3.47Å
99T98.4Very high94.5Very high0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-134.7173.9-179.9-171.20000110.7T103 A106 D159 L178 K179 V181T99-T103 PolarHBondContact OG1-OG1 3.34Å; T99-A106 HydrophobicContact CG2-CB 4.25Å; T99-D159 WeakPolarHBondContact CB-O 3.48Å; T99-D159 PolarHBondContact OG1-O 2.92Å; T99-L178 CarbonylContact O-C 3.5Å; T99-L178 WeakPolarHBondContact O-CA 3.44Å; T99-K179 HydrophobicContact CG2-CB 4.35Å; T99-K179 PolarHBondContact N-O 3.18Å; T99-K179 PolarHBondContact O-N 3.05Å; T99-V181 HydrophobicContact CG2-CG2 3.83Å
100R96.9Very high94.7Very high43 Ų4350 Ų5016%0.16224%0.244CC..EExtended strand (participates in β ladder)trans-80.8137.7170.4-65.3-173.2-58.7-72.5-4.5110.5D102 T103 L153 I158 D159 L178R100-D102 WeakPolarHBondContact CB-OD1 3.33Å; R100-D102 IonicContact NE-OD1 3Å; R100-D102 PolarHBondContact O-N 3.42Å; R100-T103 HydrophobicContact CB-CG2 3.88Å; R100-T103 PolarHBondContact O-N 3.48Å; R100-T103 PolarHBondContact O-OG1 3.36Å; R100-L153 VanDerWaalsContact CD-O 3.28Å; R100-L153 WeakPolarHBondContact CD-O 3.47Å; R100-L153 HydrophobicContact CG-CD1 4.03Å; R100-L153 HydrophobicContact CG-CG 4.03Å; R100-L153 WeakPolarHBondContact CG-O 3.36Å; R100-L153 PolarHBondContact NH1-O 2.94Å; R100-I158 PolarHBondContact NH1-O 3.26Å; R100-D159 IonicContact NH2-OD1 3.97Å; R100-L178 HydrophobicContact CG-CD2 4.33Å
101K94.9Very high94.8Very high121 Ų12150.5 Ų50.553%0.52625%0.247SC..THydrogen-bonded Turntrans-66-24.4-176.8-168.3172.7-176.21710113.9T103 P176 D177 K179K101-T103 VanDerWaalsContact C-N 3.27Å; K101-T103 PolarHBondContact O-N 3.22Å; K101-P176 WeakPolarHBondContact CD-O 3.5Å; K101-D177 VanDerWaalsContact CB-O 3.26Å; K101-D177 WeakPolarHBondContact CB-O 3.36Å; K101-D177 PolarHBondContact N-O 2.82Å; K101-K179 HydrophobicContact CB-CB 4.23Å
102D94.3Very high95Very high133 Ų13355.9 Ų55.971%0.71127%0.271SS*.THydrogen-bonded Turntrans-82-1.4178.871.5-22.4000113.6R100R100-D102 WeakPolarHBondContact CB-OD1 3.33Å; R100-D102 IonicContact NE-OD1 3Å; R100-D102 PolarHBondContact O-N 3.42Å
103T95.3Very high95.5Very high26 Ų2654.6 Ų54.616%0.1627%0.267CS..SBendtrans-97.8162.2-179.272.50000112.6T99 R100 K101 Y105 A106T99-T103 PolarHBondContact OG1-OG1 3.34Å; R100-T103 HydrophobicContact CB-CG2 3.88Å; R100-T103 PolarHBondContact O-N 3.48Å; R100-T103 PolarHBondContact O-OG1 3.36Å; K101-T103 VanDerWaalsContact C-N 3.27Å; K101-T103 PolarHBondContact O-N 3.22Å; T103-Y105 PolarHBondContact O-N 3.33Å; T103-Y105 PolarHBondContact OG1-N 3.11Å; T103-A106 WeakPolarHBondContact O-CB 3.2Å; T103-A106 PolarHBondContact O-N 3.24Å
104K95.3Very high96.2Very high151 Ų15153.9 Ų53.966%0.65726%0.262SS*.G310 helixtrans-59.5-27.7171.766.4177.1-176.7172.90112.8A106 K107K104-A106 VanDerWaalsContact C-N 3.27Å; K104-A106 PolarHBondContact O-N 3.35Å; K104-K107 PolarHBondContact O-N 2.81Å
105Y97.8Very high96.7Very high19 Ų1951.5 Ų51.58%0.07526%0.257CS..G310 helixtrans-70.4-23.5-176.8-56.6-62.2000112.7T103 K107 A108 D113 F114 A117 D159T103-Y105 PolarHBondContact O-N 3.33Å; T103-Y105 PolarHBondContact OG1-N 3.11Å; Y105-K107 PolarHBondContact O-N 2.97Å; Y105-A108 WeakPolarHBondContact O-CB 3.45Å; Y105-A108 PolarHBondContact O-N 3.37Å; Y105-D113 WeakPolarHBondContact CD1-O 3.31Å; Y105-D113 WeakPolarHBondContact CE1-O 3.35Å; Y105-F114 AromaticContact CD1-CD1 3.87Å; Y105-F114 HydrophobicContact CD1-CD1 3.87Å; Y105-F114 HydrophobicContact CD1-CE1 4.26Å; Y105-F114 HydrophobicContact CD1-CG 4.2Å; Y105-F114 HydrophobicContact CG-CD1 4.05Å; Y105-F114 HydrophobicContact CG-CE1 4.04Å; Y105-A117 HydrophobicContact CD1-CB 4.34Å; Y105-A117 HydrophobicContact CE1-CB 3.72Å; Y105-A117 HydrophobicContact CE2-CB 3.96Å; Y105-A117 VanDerWaalsContact CZ-CB 3.5Å; Y105-A117 WeakPolarHBondContact OH-CA 3.45Å; Y105-A117 PolarHBondContact OH-N 2.82Å; Y105-D159 HydrophobicContact CD2-CB 4.06Å; Y105-D159 HydrophobicContact CE2-CB 3.8Å
106A96.4Very high96.9Very high18 Ų1853.2 Ų53.215%0.14928%0.277CS..G310 helixtrans-62-15.3176.800000114.2T99 T103 K104 K179T99-A106 HydrophobicContact CG2-CB 4.25Å; T103-A106 WeakPolarHBondContact O-CB 3.2Å; T103-A106 PolarHBondContact O-N 3.24Å; K104-A106 VanDerWaalsContact C-N 3.27Å; K104-A106 PolarHBondContact O-N 3.35Å; A106-K179 HydrophobicContact CB-CB 4.22Å; A106-K179 HydrophobicContact CB-CG 4.15Å
107K95.4Very high97Very high184 Ų18453.2 Ų53.280%0.828%0.277SS*.G310 helixtrans-1066.7177.4-59.9-178.2-177.2177.90113.2K104 Y105K104-K107 PolarHBondContact O-N 2.81Å; Y105-K107 PolarHBondContact O-N 2.97Å
108A97.5Very high97Very high11 Ų1157 Ų579%0.09129%0.294CS..  trans-60.8143179.200000111Y105 D113 F114 V181Y105-A108 WeakPolarHBondContact O-CB 3.45Å; Y105-A108 PolarHBondContact O-N 3.37Å; A108-D113 HydrophobicContact CB-CB 3.55Å; A108-F114 HydrophobicContact CB-CD2 3.98Å; A108-F114 HydrophobicContact CB-CE2 3.44Å; A108-F114 VanDerWaalsContact CB-CE2 3.44Å; A108-F114 HydrophobicContact CB-CZ 4.21Å; A108-V181 HydrophobicContact CB-CG1 4.01Å; A108-V181 VanDerWaalsContact O-CG1 3.25Å; A108-V181 WeakPolarHBondContact O-CG1 3.42Å
109T95.7Very high97Very high98 Ų9857 Ų5760%0.60129%0.294SS*.SBendtrans-120.9-10.9174.255.70000112.2D113T109-D113 PolarHBondContact N-OD2 3.22Å
110S97.8Very high97Very high9 Ų957 Ų576%0.06329%0.294CS..SBendtrans-132.4151.1172.5-179.80000110.7K112 D113 F183 N187S110-K112 PolarHBondContact O-N 3.49Å; S110-K112 VanDerWaalsContact O-N 3.08Å; S110-K112 PolarHBondContact OG-N 2.93Å; S110-D113 PolarHBondContact N-OD2 3.22Å; S110-D113 VanDerWaalsContact O-CB 3.32Å; S110-D113 WeakPolarHBondContact O-CB 3.39Å; S110-D113 PolarHBondContact O-N 2.73Å; S110-F183 VanDerWaalsContact C-CE1 3.42Å; S110-N187 WeakPolarHBondContact CA-O 3.26Å; S110-N187 PolarHBondContact OG-O 3.17Å
111I97.7Very high97.1Very high12 Ų1255 Ų556%0.06229%0.286CS..G310 helixtrans-54.8-27.5168.964.2173000111.3D113 F114 Q133 I134 F183 N187 F189I111-D113 PolarHBondContact O-N 3.29Å; I111-F114 WeakPolarHBondContact O-CB 3.3Å; I111-F114 PolarHBondContact O-N 3.04Å; I111-F114 VanDerWaalsContact O-N 3.1Å; I111-Q133 HydrophobicContact CD1-CB 4.02Å; I111-I134 HydrophobicContact CB-CG1 4.24Å; I111-I134 WeakPolarHBondContact O-CG2 3.36Å; I111-F183 HydrophobicContact CG2-CD1 4.28Å; I111-F183 HydrophobicContact CG2-CD2 3.87Å; I111-F183 HydrophobicContact CG2-CE1 4.19Å; I111-F183 HydrophobicContact CG2-CE2 3.78Å; I111-F183 HydrophobicContact CG2-CG 4.12Å; I111-F183 HydrophobicContact CG2-CZ 3.94Å; I111-N187 PolarHBondContact N-O 3.12Å; I111-F189 HydrophobicContact CD1-CD1 4.33Å; I111-F189 HydrophobicContact CG2-CD1 4.29Å; I111-F189 HydrophobicContact CG2-CD2 4.02Å; I111-F189 HydrophobicContact CG2-CE1 4.16Å; I111-F189 HydrophobicContact CG2-CE2 3.88Å; I111-F189 HydrophobicContact CG2-CG 4.24Å; I111-F189 HydrophobicContact CG2-CZ 3.96Å
112K97.3Very high97Very high134 Ų13449.5 Ų49.558%0.58326%0.262SS*.G310 helixtrans-62.6-25.6176.4-58.7-179.3-177.4169.90113.7S110 F114 A115 P135S110-K112 PolarHBondContact O-N 3.49Å; S110-K112 VanDerWaalsContact O-N 3.08Å; S110-K112 PolarHBondContact OG-N 2.93Å; K112-F114 PolarHBondContact O-N 2.98Å; K112-A115 WeakPolarHBondContact O-CB 3.29Å; K112-A115 PolarHBondContact O-N 2.87Å; K112-P135 HydrophobicContact CB-CG 4.4Å; K112-P135 HydrophobicContact CG-CG 3.97Å
113D98.2Very high96.8Very high75 Ų7546.8 Ų46.840%0.40125%0.247SC..G310 helixtrans-71.5-12.7178.6-58.4-35.1000112.1Y105 A108 T109 S110 I111 A115Y105-D113 WeakPolarHBondContact CD1-O 3.31Å; Y105-D113 WeakPolarHBondContact CE1-O 3.35Å; A108-D113 HydrophobicContact CB-CB 3.55Å; T109-D113 PolarHBondContact N-OD2 3.22Å; S110-D113 PolarHBondContact N-OD2 3.22Å; S110-D113 VanDerWaalsContact O-CB 3.32Å; S110-D113 WeakPolarHBondContact O-CB 3.39Å; S110-D113 PolarHBondContact O-N 2.73Å; I111-D113 PolarHBondContact O-N 3.29Å; D113-A115 VanDerWaalsContact C-N 3.26Å; D113-A115 PolarHBondContact O-N 3.19Å
114F98.3Very high96.2Very high0 Ų049.1 Ų49.10%027%0.265CS..G310 helixtrans-85.212.3172.7-74.4-97.1000113.7I97 Y105 A108 I111 K112 G116 A117 I134 V181 F183I97-F114 HydrophobicContact CB-CE1 4.11Å; I97-F114 HydrophobicContact CB-CE2 4.24Å; I97-F114 HydrophobicContact CB-CZ 3.78Å; I97-F114 HydrophobicContact CD1-CD1 4.01Å; I97-F114 HydrophobicContact CD1-CD2 3.7Å; I97-F114 HydrophobicContact CD1-CE1 4.1Å; I97-F114 HydrophobicContact CD1-CE2 3.8Å; I97-F114 HydrophobicContact CD1-CG 3.81Å; I97-F114 HydrophobicContact CD1-CZ 3.99Å; I97-F114 HydrophobicContact CG1-CZ 4.49Å; I97-F114 HydrophobicContact CG2-CD1 4.12Å; I97-F114 HydrophobicContact CG2-CE1 3.38Å; I97-F114 HydrophobicContact CG2-CE2 4.4Å; I97-F114 HydrophobicContact CG2-CZ 3.55Å; Y105-F114 AromaticContact CD1-CD1 3.87Å; Y105-F114 HydrophobicContact CD1-CD1 3.87Å; Y105-F114 HydrophobicContact CD1-CE1 4.26Å; Y105-F114 HydrophobicContact CD1-CG 4.2Å; Y105-F114 HydrophobicContact CG-CD1 4.05Å; Y105-F114 HydrophobicContact CG-CE1 4.04Å; A108-F114 HydrophobicContact CB-CD2 3.98Å; A108-F114 HydrophobicContact CB-CE2 3.44Å; A108-F114 VanDerWaalsContact CB-CE2 3.44Å; A108-F114 HydrophobicContact CB-CZ 4.21Å; I111-F114 WeakPolarHBondContact O-CB 3.3Å; I111-F114 PolarHBondContact O-N 3.04Å; I111-F114 VanDerWaalsContact O-N 3.1Å; K112-F114 PolarHBondContact O-N 2.98Å; F114-G116 PolarHBondContact O-N 3.42Å; F114-A117 HydrophobicContact CB-CB 4.18Å; F114-A117 HydrophobicContact CD1-CB 4.1Å; F114-A117 WeakPolarHBondContact O-CB 3.42Å; F114-A117 PolarHBondContact O-N 3.24Å; F114-I134 HydrophobicContact CB-CD1 4.48Å; F114-I134 HydrophobicContact CB-CG2 3.73Å; F114-V181 HydrophobicContact CE2-CB 4.48Å; F114-V181 HydrophobicContact CE2-CG1 4.25Å; F114-V181 HydrophobicContact CZ-CB 4.32Å; F114-V181 HydrophobicContact CZ-CG2 4.13Å; F114-F183 HydrophobicContact CD2-CZ 4.23Å; F114-F183 HydrophobicContact CE2-CE1 4.08Å; F114-F183 AromaticContact CE2-CZ 3.72Å; F114-F183 HydrophobicContact CE2-CZ 3.72Å
115A97.9Very high95.9Very high36 Ų3642.4 Ų42.430%0.29824%0.236SC..THydrogen-bonded Turntrans-53.8131.6173.500000112.1K112 D113 A117 P135 D136K112-A115 WeakPolarHBondContact O-CB 3.29Å; K112-A115 PolarHBondContact O-N 2.87Å; D113-A115 VanDerWaalsContact C-N 3.26Å; D113-A115 PolarHBondContact O-N 3.19Å; A115-A117 PolarHBondContact O-N 2.89Å; A115-P135 VanDerWaalsContact CA-O 3.26Å; A115-P135 WeakPolarHBondContact CA-O 3.32Å; A115-P135 WeakPolarHBondContact CB-O 3.26Å; A115-D136 HydrophobicContact CB-CB 4.33Å
116G96.9Very high95.5Very high47 Ų4742.2 Ų42.249%0.48524%0.236SC..THydrogen-bonded Turntrans74.4-3.6-175.200000115.7F114 D136F114-G116 PolarHBondContact O-N 3.42Å; G116-D136 WeakPolarHBondContact CA-O 3.49Å; G116-D136 PolarHBondContact N-O 2.79Å
117A98.5Very high95.3Very high0 Ų041.8 Ų41.80%023%0.231CC..  trans-69.9144.2179.200000111.4Y105 F114 A115 V119 V137 N138 D159Y105-A117 HydrophobicContact CD1-CB 4.34Å; Y105-A117 HydrophobicContact CE1-CB 3.72Å; Y105-A117 HydrophobicContact CE2-CB 3.96Å; Y105-A117 VanDerWaalsContact CZ-CB 3.5Å; Y105-A117 WeakPolarHBondContact OH-CA 3.45Å; Y105-A117 PolarHBondContact OH-N 2.82Å; F114-A117 HydrophobicContact CB-CB 4.18Å; F114-A117 HydrophobicContact CD1-CB 4.1Å; F114-A117 WeakPolarHBondContact O-CB 3.42Å; F114-A117 PolarHBondContact O-N 3.24Å; A115-A117 PolarHBondContact O-N 2.89Å; A117-V119 HydrophobicContact CB-CG2 3.82Å; A117-V119 PolarHBondContact O-N 3.05Å; A117-V137 WeakPolarHBondContact O-CG2 3.3Å; A117-N138 WeakPolarHBondContact O-CB 3.37Å; A117-N138 PolarHBondContact O-N 3.31Å; A117-D159 HydrophobicContact CB-CB 4.03Å
118K98.7Very high95.4Very high80 Ų8035.7 Ų35.735%0.34820%0.203SC..EExtended strand (participates in β ladder)trans-77.3106.1166.4-63.7177.3-170173.60109.6N138 Q140 T157 D159 G160K118-N138 WeakPolarHBondContact CA-O 3.3Å; K118-N138 HydrophobicContact CG-CB 4.26Å; K118-Q140 HydrophobicContact CB-CG 3.9Å; K118-T157 WeakPolarHBondContact CD-O 3.36Å; K118-D159 PolarHBondContact N-OD2 2.72Å; K118-D159 PolarHBondContact O-N 2.74Å; K118-G160 PolarHBondContact O-N 2.65Å
119V98.8Very high95.2Very high0 Ų040.5 Ų40.50%023%0.228CC..EExtended strand (participates in β ladder)trans-120.2138.1-175.7-177.40000111.4A117 I131 I134 V137 N138 K139 Q140 G160 V162A117-V119 HydrophobicContact CB-CG2 3.82Å; A117-V119 PolarHBondContact O-N 3.05Å; V119-I131 HydrophobicContact CB-CG2 4.33Å; V119-I131 HydrophobicContact CG1-CD1 4.3Å; V119-I131 HydrophobicContact CG1-CG1 4.26Å; V119-I131 HydrophobicContact CG1-CG2 4.26Å; V119-I134 HydrophobicContact CB-CD1 4.48Å; V119-I134 HydrophobicContact CG1-CD1 4.14Å; V119-I134 HydrophobicContact CG2-CD1 4.27Å; V119-V137 HydrophobicContact CB-CG2 3.67Å; V119-V137 HydrophobicContact CG2-CG2 3.58Å; V119-N138 PolarHBondContact N-O 3.35Å; V119-N138 VanDerWaalsContact N-O 3.13Å; V119-K139 WeakPolarHBondContact O-CA 3.41Å; V119-Q140 PolarHBondContact O-N 2.88Å; V119-G160 VanDerWaalsContact CA-O 3.3Å; V119-G160 WeakPolarHBondContact CA-O 3.48Å; V119-V162 HydrophobicContact CG1-CG2 3.99Å
120T98.5Very high95.2Very high0 Ų036.3 Ų36.30%020%0.202CC..EExtended strand (participates in β ladder)trans-132.9-178.9172.1-164.40000111.6I131 E141 A142 M143 M149 I158 G160 Y161 V162T120-I131 VanDerWaalsContact C-CD1 3.45Å; T120-E141 PolarHBondContact OG1-O 3.44Å; T120-A142 WeakPolarHBondContact OG1-CA 3.31Å; T120-M143 HydrophobicContact CG2-CE 4.06Å; T120-M143 HydrophobicContact CG2-CG 4.22Å; T120-M143 HydrophobicContact CG2-SD 4.02Å; T120-M149 HydrophobicContact CG2-CG 4.03Å; T120-M149 HydrophobicContact CG2-SD 3.95Å; T120-I158 HydrophobicContact CG2-CD1 3.67Å; T120-I158 HydrophobicContact CG2-CG2 4.26Å; T120-G160 PolarHBondContact N-O 3.48Å; T120-Y161 CarbonylContact O-C 3.58Å; T120-Y161 WeakPolarHBondContact O-CA 3.37Å; T120-Y161 WeakPolarHBondContact O-CB 3.39Å; T120-V162 PolarHBondContact O-N 2.9Å
121A97.6Very high95.2Very high0 Ų035.9 Ų35.90%020%0.199CC..  trans-155-178.9169.200000109.6H127 Y128 I131 A142 M143 M149 V162A121-H127 VanDerWaalsContact CB-C 3.43Å; A121-H127 HydrophobicContact CB-CB 3.65Å; A121-Y128 HydrophobicContact CB-CD2 4.22Å; A121-I131 HydrophobicContact CB-CD1 3.99Å; A121-A142 WeakPolarHBondContact O-CA 3.36Å; A121-M143 PolarHBondContact O-N 2.9Å; A121-M143 VanDerWaalsContact O-N 3.08Å; A121-M149 WeakPolarHBondContact CA-SD 3.33Å; A121-V162 HydrophobicContact CB-CB 4.12Å
122Q92.5Very high95.2Very high6 Ų639.4 Ų39.43%0.02822%0.222CC..BIsolated β-bridgetrans-67.9137.6179.9-172.2174.67.500111.6T125 M143 D144 F146 M149Q122-T125 HydrophobicContact CB-CG2 3.81Å; Q122-T125 HydrophobicContact CG-CG2 3.92Å; Q122-T125 PolarHBondContact O-N 2.87Å; Q122-T125 PolarHBondContact O-OG1 3.5Å; Q122-M143 CarbonylContact C-O 3.53Å; Q122-M143 VanDerWaalsContact CA-O 3.26Å; Q122-M143 WeakPolarHBondContact CA-O 3.29Å; Q122-D144 WeakPolarHBondContact CG-O 3.4Å; Q122-D144 PolarHBondContact NE2-O 3.03Å; Q122-F146 VanDerWaalsContact OE1-CE2 3.23Å; Q122-M149 HydrophobicContact CB-CE 3.96Å
123L90.9Very high95.2Very high76 Ų7636.3 Ų36.340%0.39821%0.21SC..THydrogen-bonded Turntrans-56.9141.1175.4-178.365.8000110.8T125 A142 M143L123-T125 VanDerWaalsContact C-N 3.28Å; L123-T125 PolarHBondContact O-N 2.72Å; L123-A142 HydrophobicContact CB-CB 3.93Å; L123-A142 HydrophobicContact CD1-CB 3.85Å; L123-M143 PolarHBondContact N-O 3.4Å
124S83.6Confident95.2Very high75 Ų7532.9 Ų32.952%0.52419%0.192SC..THydrogen-bonded Turntrans60.732.4178.2-53.50000114.4R80R80-S124 PolarHBondContact NH2-O 2.99Å; R80-S124 VanDerWaalsContact NH2-O 3.07Å
125T87.3Confident95.1Very high10 Ų1035.4 Ų35.46%0.06121%0.208CC..SBendtrans-128.2151.5175.571.20000111.8Q122 L123 H127 Y128Q122-T125 HydrophobicContact CB-CG2 3.81Å; Q122-T125 HydrophobicContact CG-CG2 3.92Å; Q122-T125 PolarHBondContact O-N 2.87Å; Q122-T125 PolarHBondContact O-OG1 3.5Å; L123-T125 VanDerWaalsContact C-N 3.28Å; L123-T125 PolarHBondContact O-N 2.72Å; T125-H127 PolarHBondContact O-N 3.23Å; T125-H127 WeakPolarHBondContact OG1-CB 3.24Å; T125-Y128 WeakPolarHBondContact O-CB 3.48Å; T125-Y128 PolarHBondContact O-N 2.85Å; T125-Y128 VanDerWaalsContact O-N 3.08Å
126F89.2Confident95.1Very high16 Ų1640.5 Ų40.57%0.0723%0.231CC..Hα-helixtrans-65-22.2176.879.7-83.9000112.2L95 Y128 D129 V130 T191 D195 V196L95-F126 HydrophobicContact CD1-CD2 4.33Å; L95-F126 HydrophobicContact CD1-CE2 3.64Å; L95-F126 HydrophobicContact CD1-CZ 4.43Å; L95-F126 HydrophobicContact CD2-CE2 3.86Å; L95-F126 HydrophobicContact CD2-CZ 3.8Å; L95-F126 HydrophobicContact CG-CE2 3.92Å; L95-F126 HydrophobicContact CG-CZ 4.29Å; F126-Y128 PolarHBondContact O-N 2.94Å; F126-Y128 VanDerWaalsContact O-N 3.17Å; F126-D129 WeakPolarHBondContact O-CA 3.31Å; F126-D129 PolarHBondContact O-N 2.92Å; F126-V130 HydrophobicContact CD2-CG1 4.23Å; F126-V130 PolarHBondContact O-N 2.84Å; F126-T191 HydrophobicContact CE2-CG2 4.21Å; F126-D195 HydrophobicContact CD1-CB 4.24Å; F126-D195 HydrophobicContact CD2-CB 3.59Å; F126-D195 HydrophobicContact CE1-CB 4.35Å; F126-D195 WeakPolarHBondContact CE1-O 3.37Å; F126-D195 HydrophobicContact CE2-CB 3.66Å; F126-D195 HydrophobicContact CG-CB 3.87Å; F126-D195 VanDerWaalsContact CZ-C 3.47Å; F126-D195 HydrophobicContact CZ-CB 4.07Å; F126-D195 WeakPolarHBondContact CZ-O 3.41Å; F126-V196 HydrophobicContact CE2-CG1 4.08Å; F126-V196 HydrophobicContact CZ-CG1 4.05Å
127H93.9Very high95.1Very high9 Ų939.6 Ų39.64%0.04222%0.216CC..Hα-helixtrans-52.2-36.1171.5-58.553.1000111.4A121 T125 V130 V162 E164A121-H127 VanDerWaalsContact CB-C 3.43Å; A121-H127 HydrophobicContact CB-CB 3.65Å; T125-H127 PolarHBondContact O-N 3.23Å; T125-H127 WeakPolarHBondContact OG1-CB 3.24Å; H127-V130 WeakPolarHBondContact O-CG2 3.39Å; H127-V162 HydrophobicContact CB-CB 4.31Å; H127-V162 HydrophobicContact CB-CG1 4.06Å; H127-E164 IonicContact CD2-OE2 3.95Å; H127-E164 IonicContact CE1-OE2 3.95Å; H127-E164 IonicContact NE2-OE2 2.62Å; H127-E164 PolarHBondContact NE2-OE2 2.9Å
128Y96.1Very high95.1Very high55 Ų5543.4 Ų43.422%0.21624%0.236CC..Hα-helixtrans-75.9-30.9176.8-170.1-112.2000113A121 T125 F126 I131 K139 Q140 A142A121-Y128 HydrophobicContact CB-CD2 4.22Å; T125-Y128 WeakPolarHBondContact O-CB 3.48Å; T125-Y128 PolarHBondContact O-N 2.85Å; T125-Y128 VanDerWaalsContact O-N 3.08Å; F126-Y128 PolarHBondContact O-N 2.94Å; F126-Y128 VanDerWaalsContact O-N 3.17Å; Y128-I131 HydrophobicContact CD2-CD1 3.59Å; Y128-I131 HydrophobicContact CE2-CD1 4.08Å; Y128-I131 HydrophobicContact CG-CD1 4.39Å; Y128-K139 VanDerWaalsContact CE1-CE 3.42Å; Y128-K139 HydrophobicContact CE2-CG 4.31Å; Y128-K139 WeakPolarHBondContact O-CE 3.49Å; Y128-K139 PolarHBondContact O-NZ 2.89Å; Y128-Q140 VanDerWaalsContact CE2-O 3.29Å; Y128-Q140 WeakPolarHBondContact CE2-O 3.37Å; Y128-Q140 PolarHBondContact OH-O 2.86Å; Y128-Q140 VanDerWaalsContact OH-O 3.13Å; Y128-A142 HydrophobicContact CD1-CB 4.26Å; Y128-A142 HydrophobicContact CD2-CB 3.69Å; Y128-A142 HydrophobicContact CE1-CB 4.18Å; Y128-A142 HydrophobicContact CE2-CB 3.63Å; Y128-A142 HydrophobicContact CG-CB 4.01Å
129D93.8Very high95.1Very high113 Ų11343.1 Ų43.160%0.60424%0.235SC*.Hα-helixtrans-78.6-22.3-177.1-62.4-32.3000112.7F126 P132F126-D129 WeakPolarHBondContact O-CA 3.31Å; F126-D129 PolarHBondContact O-N 2.92Å; D129-P132 VanDerWaalsContact O-CD 3.22Å; D129-P132 WeakPolarHBondContact O-CD 3.35Å
130V95.5Very high95.1Very high9 Ų945.5 Ų45.56%0.05525%0.246CC..SBendtrans-82.9-15.1175-60.10000113.9L95 F126 H127 P132 Q133 V162 F189 T191L95-V130 HydrophobicContact CD1-CB 4.34Å; L95-V130 HydrophobicContact CD1-CG1 4.15Å; L95-V130 HydrophobicContact CD1-CG2 3.52Å; F126-V130 HydrophobicContact CD2-CG1 4.23Å; F126-V130 PolarHBondContact O-N 2.84Å; H127-V130 WeakPolarHBondContact O-CG2 3.39Å; V130-P132 VanDerWaalsContact C-N 3.32Å; V130-Q133 VanDerWaalsContact O-CB 3.23Å; V130-Q133 WeakPolarHBondContact O-CB 3Å; V130-Q133 VanDerWaalsContact O-CG 3.26Å; V130-Q133 WeakPolarHBondContact O-CG 3.3Å; V130-Q133 PolarHBondContact O-N 3.39Å; V130-V162 HydrophobicContact CG2-CG1 3.97Å; V130-F189 HydrophobicContact CB-CB 4.49Å; V130-F189 HydrophobicContact CB-CD1 3.76Å; V130-F189 HydrophobicContact CB-CE1 4.32Å; V130-F189 HydrophobicContact CB-CG 4.35Å; V130-F189 HydrophobicContact CG2-CD1 3.67Å; V130-F189 HydrophobicContact CG2-CE1 3.91Å; V130-F189 HydrophobicContact CG2-CG 4.1Å; V130-T191 HydrophobicContact CG1-CG2 4.28Å
131I98.2Very high95Very high0 Ų053.6 Ų53.60%028%0.283CS..G310 helixtrans-52.8-41.4-178.8-63.6172.4000113.1V119 T120 A121 Y128 Q133 I134 V137 K139 V162V119-I131 HydrophobicContact CB-CG2 4.33Å; V119-I131 HydrophobicContact CG1-CD1 4.3Å; V119-I131 HydrophobicContact CG1-CG1 4.26Å; V119-I131 HydrophobicContact CG1-CG2 4.26Å; T120-I131 VanDerWaalsContact C-CD1 3.45Å; A121-I131 HydrophobicContact CB-CD1 3.99Å; Y128-I131 HydrophobicContact CD2-CD1 3.59Å; Y128-I131 HydrophobicContact CE2-CD1 4.08Å; Y128-I131 HydrophobicContact CG-CD1 4.39Å; I131-Q133 PolarHBondContact O-N 2.81Å; I131-I134 WeakPolarHBondContact O-CB 3.39Å; I131-I134 WeakPolarHBondContact O-CG1 3.32Å; I131-I134 PolarHBondContact O-N 3.48Å; I131-V137 HydrophobicContact CG2-CG1 3.87Å; I131-V137 HydrophobicContact CG2-CG2 4.24Å; I131-K139 HydrophobicContact CB-CD 4.17Å; I131-K139 HydrophobicContact CB-CG 4.39Å; I131-K139 HydrophobicContact CD1-CG 4.48Å; I131-K139 HydrophobicContact CG2-CB 3.99Å; I131-K139 HydrophobicContact CG2-CD 4.01Å; I131-K139 HydrophobicContact CG2-CG 3.81Å; I131-V162 HydrophobicContact CD1-CG2 4.45Å; I131-V162 HydrophobicContact CG1-CG2 3.72Å
132P97.6Very high94.9Very high86 Ų8654.7 Ų54.756%0.55829%0.293SS*.G310 helixtrans-59.5-12.1177.2-24.436.3000115.4D129 V130 I134 K139D129-P132 VanDerWaalsContact O-CD 3.22Å; D129-P132 WeakPolarHBondContact O-CD 3.35Å; V130-P132 VanDerWaalsContact C-N 3.32Å; P132-I134 PolarHBondContact O-N 3.43Å; P132-K139 HydrophobicContact CG-CD 4.35Å
133Q97.6Very high95Very high69 Ų6956.2 Ų56.232%0.32230%0.3SS..G310 helixtrans-71-18.6172.2-58.9-178.925.900112.6I111 V130 I131 P135 F189 Q190I111-Q133 HydrophobicContact CD1-CB 4.02Å; V130-Q133 VanDerWaalsContact O-CB 3.23Å; V130-Q133 WeakPolarHBondContact O-CB 3Å; V130-Q133 VanDerWaalsContact O-CG 3.26Å; V130-Q133 WeakPolarHBondContact O-CG 3.3Å; V130-Q133 PolarHBondContact O-N 3.39Å; I131-Q133 PolarHBondContact O-N 2.81Å; Q133-P135 WeakPolarHBondContact O-CD 3.29Å; Q133-F189 HydrophobicContact CB-CD1 4.39Å; Q133-Q190 PolarHBondContact NE2-O 3.41Å
134I98.2Very high94.6Very high3 Ų358.3 Ų58.32%0.01531%0.312CS..SBendtrans-77.5115.1173.3-55.3173.4000108.2I97 I111 F114 V119 I131 P132 V137 F189I97-I134 HydrophobicContact CD1-CD1 3.85Å; I111-I134 HydrophobicContact CB-CG1 4.24Å; I111-I134 WeakPolarHBondContact O-CG2 3.36Å; F114-I134 HydrophobicContact CB-CD1 4.48Å; F114-I134 HydrophobicContact CB-CG2 3.73Å; V119-I134 HydrophobicContact CB-CD1 4.48Å; V119-I134 HydrophobicContact CG1-CD1 4.14Å; V119-I134 HydrophobicContact CG2-CD1 4.27Å; I131-I134 WeakPolarHBondContact O-CB 3.39Å; I131-I134 WeakPolarHBondContact O-CG1 3.32Å; I131-I134 PolarHBondContact O-N 3.48Å; P132-I134 PolarHBondContact O-N 3.43Å; I134-V137 HydrophobicContact CB-CB 3.71Å; I134-V137 HydrophobicContact CB-CG1 4.03Å; I134-V137 HydrophobicContact CB-CG2 4.07Å; I134-V137 HydrophobicContact CD1-CG2 4.16Å; I134-V137 HydrophobicContact CG2-CB 3.59Å; I134-V137 HydrophobicContact CG2-CG1 4.46Å; I134-V137 HydrophobicContact CG2-CG2 3.86Å; I134-V137 WeakPolarHBondContact O-CG1 3.39Å; I134-V137 PolarHBondContact O-N 2.8Å; I134-F189 HydrophobicContact CD1-CE1 4.08Å; I134-F189 HydrophobicContact CD1-CZ 4.02Å; I134-F189 HydrophobicContact CG1-CE1 3.88Å; I134-F189 HydrophobicContact CG1-CZ 4.22Å
135P96.2Very high94.5Very high54 Ų5456.6 Ų56.635%0.35130%0.297SS..THydrogen-bonded Turntrans-61.4139.7177.4-18.931.8000111.6K112 A115 Q133 V137K112-P135 HydrophobicContact CB-CG 4.4Å; K112-P135 HydrophobicContact CG-CG 3.97Å; A115-P135 VanDerWaalsContact CA-O 3.26Å; A115-P135 WeakPolarHBondContact CA-O 3.32Å; A115-P135 WeakPolarHBondContact CB-O 3.26Å; Q133-P135 WeakPolarHBondContact O-CD 3.29Å; P135-V137 PolarHBondContact O-N 3.28Å
136D96.9Very high94.5Very high143 Ų14356.3 Ų56.377%0.76530%0.295SS*.THydrogen-bonded Turntrans52.224.8177.4-56.8-32.6000114.8A115 G116A115-D136 HydrophobicContact CB-CB 4.33Å; G116-D136 WeakPolarHBondContact CA-O 3.49Å; G116-D136 PolarHBondContact N-O 2.79Å
137V98.3Very high94Very high28 Ų2856.1 Ų56.117%0.1730%0.295CS..  trans-70.3141.1178.4730000111.3A117 V119 I131 I134 P135 K139A117-V137 WeakPolarHBondContact O-CG2 3.3Å; V119-V137 HydrophobicContact CB-CG2 3.67Å; V119-V137 HydrophobicContact CG2-CG2 3.58Å; I131-V137 HydrophobicContact CG2-CG1 3.87Å; I131-V137 HydrophobicContact CG2-CG2 4.24Å; I134-V137 HydrophobicContact CB-CB 3.71Å; I134-V137 HydrophobicContact CB-CG1 4.03Å; I134-V137 HydrophobicContact CB-CG2 4.07Å; I134-V137 HydrophobicContact CD1-CG2 4.16Å; I134-V137 HydrophobicContact CG2-CB 3.59Å; I134-V137 HydrophobicContact CG2-CG1 4.46Å; I134-V137 HydrophobicContact CG2-CG2 3.86Å; I134-V137 WeakPolarHBondContact O-CG1 3.39Å; I134-V137 PolarHBondContact O-N 2.8Å; P135-V137 PolarHBondContact O-N 3.28Å; V137-K139 HydrophobicContact CG1-CB 4.43Å; V137-K139 PolarHBondContact O-N 2.87Å
138N98.2Very high93.6Very high80 Ų8057.3 Ų57.343%0.42831%0.307SS..EExtended strand (participates in β ladder)trans-88.180.6168.5-170.1-8.1000109.1A117 K118 V119 Q140A117-N138 WeakPolarHBondContact O-CB 3.37Å; A117-N138 PolarHBondContact O-N 3.31Å; K118-N138 WeakPolarHBondContact CA-O 3.3Å; K118-N138 HydrophobicContact CG-CB 4.26Å; V119-N138 PolarHBondContact N-O 3.35Å; V119-N138 VanDerWaalsContact N-O 3.13Å; N138-Q140 PolarHBondContact O-N 3.45Å; N138-Q140 VanDerWaalsContact O-N 3.14Å; N138-Q140 PolarHBondContact O-NE2 3.41Å; N138-Q140 PolarHBondContact OD1-NE2 3.37Å
139K98.4Very high93.4Very high73 Ų7354.7 Ų54.732%0.31730%0.296SS..EExtended strand (participates in β ladder)trans-60.6114179.3-176.1171.4-176.6175.50110.2V119 Y128 I131 P132 V137V119-K139 WeakPolarHBondContact O-CA 3.41Å; Y128-K139 VanDerWaalsContact CE1-CE 3.42Å; Y128-K139 HydrophobicContact CE2-CG 4.31Å; Y128-K139 WeakPolarHBondContact O-CE 3.49Å; Y128-K139 PolarHBondContact O-NZ 2.89Å; I131-K139 HydrophobicContact CB-CD 4.17Å; I131-K139 HydrophobicContact CB-CG 4.39Å; I131-K139 HydrophobicContact CD1-CG 4.48Å; I131-K139 HydrophobicContact CG2-CB 3.99Å; I131-K139 HydrophobicContact CG2-CD 4.01Å; I131-K139 HydrophobicContact CG2-CG 3.81Å; P132-K139 HydrophobicContact CG-CD 4.35Å; V137-K139 HydrophobicContact CG1-CB 4.43Å; V137-K139 PolarHBondContact O-N 2.87Å
140Q98.3Very high93.1Very high51 Ų5149.7 Ų49.724%0.23827%0.269CS..PPolyproline II helixtrans-86.8167.9177-55.8-58.2-73.800110.8K118 V119 Y128 N138 I158K118-Q140 HydrophobicContact CB-CG 3.9Å; V119-Q140 PolarHBondContact O-N 2.88Å; Y128-Q140 VanDerWaalsContact CE2-O 3.29Å; Y128-Q140 WeakPolarHBondContact CE2-O 3.37Å; Y128-Q140 PolarHBondContact OH-O 2.86Å; Y128-Q140 VanDerWaalsContact OH-O 3.13Å; N138-Q140 PolarHBondContact O-N 3.45Å; N138-Q140 VanDerWaalsContact O-N 3.14Å; N138-Q140 PolarHBondContact O-NE2 3.41Å; N138-Q140 PolarHBondContact OD1-NE2 3.37Å; Q140-I158 HydrophobicContact CG-CG2 4.04Å
141E96.8Very high92.6Very high169 Ų16951.5 Ų51.579%0.7928%0.28SS*.PPolyproline II helixtrans-59141.7171.7-64-176.6164.700111.1T120T120-E141 PolarHBondContact OG1-O 3.44Å
142A96.5Very high92.2Very high23 Ų2352 Ų5219%0.1928%0.284CS..PPolyproline II helixtrans-63.9149.1176.600000111T120 A121 L123 Y128T120-A142 WeakPolarHBondContact OG1-CA 3.31Å; A121-A142 WeakPolarHBondContact O-CA 3.36Å; L123-A142 HydrophobicContact CB-CB 3.93Å; L123-A142 HydrophobicContact CD1-CB 3.85Å; Y128-A142 HydrophobicContact CD1-CB 4.26Å; Y128-A142 HydrophobicContact CD2-CB 3.69Å; Y128-A142 HydrophobicContact CE1-CB 4.18Å; Y128-A142 HydrophobicContact CE2-CB 3.63Å; Y128-A142 HydrophobicContact CG-CB 4.01Å
143M92.9Very high92Very high38 Ų3847.9 Ų47.919%0.18726%0.257CS..BIsolated β-bridgetrans-113.6154.2-179.2-63-176.2-179.500111.1T120 A121 Q122 L123 N145 A148 M149 A152 I158T120-M143 HydrophobicContact CG2-CE 4.06Å; T120-M143 HydrophobicContact CG2-CG 4.22Å; T120-M143 HydrophobicContact CG2-SD 4.02Å; A121-M143 PolarHBondContact O-N 2.9Å; A121-M143 VanDerWaalsContact O-N 3.08Å; Q122-M143 CarbonylContact C-O 3.53Å; Q122-M143 VanDerWaalsContact CA-O 3.26Å; Q122-M143 WeakPolarHBondContact CA-O 3.29Å; L123-M143 PolarHBondContact N-O 3.4Å; M143-N145 VanDerWaalsContact C-N 3.27Å; M143-N145 PolarHBondContact O-N 3.33Å; M143-A148 HydrophobicContact CB-CB 4.35Å; M143-M149 HydrophobicContact CB-CG 3.73Å; M143-M149 HydrophobicContact CG-CG 4.15Å; M143-M149 HydrophobicContact SD-CB 4.32Å; M143-M149 HydrophobicContact SD-CG 3.73Å; M143-A152 HydrophobicContact CE-CB 3.52Å; M143-A152 HydrophobicContact SD-CB 3.77Å; M143-I158 HydrophobicContact CE-CG2 3.99Å
144D83.8Confident91.5Very high120 Ų12049 Ų4964%0.64226%0.262SS*.SBendtrans-61.4-31.5-171.7-60.2-18.5000114Q122Q122-D144 WeakPolarHBondContact CG-O 3.4Å; Q122-D144 PolarHBondContact NE2-O 3.03Å
145N81.5Confident91Very high40 Ų4052.5 Ų52.521%0.21429%0.287CS..SBendtrans-163.9163.5-173.445.846.2000113.6M143 P147 A148 M149M143-N145 VanDerWaalsContact C-N 3.27Å; M143-N145 PolarHBondContact O-N 3.33Å; N145-P147 HydrophobicContact CB-CB 4.39Å; N145-P147 WeakPolarHBondContact OD1-CB 3.49Å; N145-A148 PolarHBondContact O-N 3.48Å; N145-A148 VanDerWaalsContact O-N 3.07Å; N145-A148 WeakPolarHBondContact OD1-CB 3.41Å; N145-A148 PolarHBondContact OD1-N 3.12Å; N145-A148 VanDerWaalsContact OD1-N 3.1Å; N145-M149 PolarHBondContact O-N 2.96Å
146F86.5Confident90.8Very high4 Ų451.4 Ų51.42%0.01829%0.286CS..Hα-helixtrans-56-50.1178-65.6-77.7000115Y5 Q122 A148 M149 R150 Y161 S163 E164 E167Y5-F146 AromaticContact CD2-CD2 3.66Å; Y5-F146 HydrophobicContact CD2-CD2 3.66Å; Y5-F146 AromaticContact CD2-CE2 3.92Å; Y5-F146 HydrophobicContact CD2-CE2 3.92Å; Y5-F146 AromaticContact CE2-CD2 3.33Å; Y5-F146 HydrophobicContact CE2-CD2 3.33Å; Y5-F146 AromaticContact CE2-CE2 3.14Å; Y5-F146 HydrophobicContact CE2-CE2 3.14Å; Y5-F146 HydrophobicContact CE2-CG 4.38Å; Y5-F146 HydrophobicContact CE2-CZ 4.09Å; Y5-F146 AromaticContact CZ-CE2 3.56Å; Q122-F146 VanDerWaalsContact OE1-CE2 3.23Å; F146-A148 PolarHBondContact O-N 3.46Å; F146-M149 HydrophobicContact CB-CE 4.25Å; F146-M149 HydrophobicContact CD1-CE 3.26Å; F146-M149 HydrophobicContact CE1-CE 3.64Å; F146-M149 HydrophobicContact CG-CE 3.82Å; F146-M149 HydrophobicContact CZ-CE 4.47Å; F146-M149 WeakPolarHBondContact O-CA 3.3Å; F146-M149 WeakPolarHBondContact O-CB 3.17Å; F146-M149 PolarHBondContact O-N 3.46Å; F146-R150 PolarHBondContact O-N 2.9Å; F146-Y161 HydrophobicContact CD1-CD2 4.26Å; F146-Y161 AromaticContact CD1-CE2 3.89Å; F146-Y161 HydrophobicContact CD1-CE2 3.89Å; F146-Y161 HydrophobicContact CE1-CE2 4.48Å; F146-S163 VanDerWaalsContact CE1-OG 3.28Å; F146-S163 WeakPolarHBondContact CE1-OG 3.35Å; F146-E164 VanDerWaalsContact CZ-OE2 3.27Å; F146-E164 WeakPolarHBondContact CZ-OE2 3.36Å; F146-E167 HydrophobicContact CB-CG 3.94Å; F146-E167 HydrophobicContact CD1-CG 3.73Å; F146-E167 HydrophobicContact CD2-CG 4.23Å; F146-E167 HydrophobicContact CE1-CG 4.28Å; F146-E167 HydrophobicContact CG-CG 3.7Å
147P79.5Confident90.7Very high12 Ų1248.3 Ų48.38%0.07827%0.272CS..Hα-helixtrans-23.8-64154.2-49.247.3000118.2N145 M149 R150 V151 F444N145-P147 HydrophobicContact CB-CB 4.39Å; N145-P147 WeakPolarHBondContact OD1-CB 3.49Å; P147-M149 VanDerWaalsContact C-N 3.31Å; P147-M149 PolarHBondContact O-N 3.45Å; P147-R150 PolarHBondContact O-N 3.37Å; P147-V151 PolarHBondContact O-N 2.91Å; P147-F444 HydrophobicContact CB-CD1 4.32Å; P147-F444 HydrophobicContact CB-CE1 3.42Å; P147-F444 VanDerWaalsContact CB-CE1 3.42Å; P147-F444 HydrophobicContact CB-CE2 3.73Å; P147-F444 HydrophobicContact CB-CZ 3.09Å; P147-F444 HydrophobicContact CG-CE1 4.09Å; P147-F444 HydrophobicContact CG-CE2 4.36Å; P147-F444 HydrophobicContact CG-CZ 3.55Å
148A84.2Confident90.7Very high34 Ų3447 Ų4728%0.28126%0.264SS..Hα-helixtrans-63.9-37.4-179.100000112M143 N145 F146 V151 A152M143-A148 HydrophobicContact CB-CB 4.35Å; N145-A148 PolarHBondContact O-N 3.48Å; N145-A148 VanDerWaalsContact O-N 3.07Å; N145-A148 WeakPolarHBondContact OD1-CB 3.41Å; N145-A148 PolarHBondContact OD1-N 3.12Å; N145-A148 VanDerWaalsContact OD1-N 3.1Å; F146-A148 PolarHBondContact O-N 3.46Å; A148-V151 PolarHBondContact O-N 2.97Å; A148-A152 PolarHBondContact O-N 3.5Å
149M91.7Very high90.8Very high0 Ų044.5 Ų44.50%025%0.251CS..Hα-helixtrans-66.4-37.6177.4-63.3-171.6-74.900112.7T120 A121 Q122 M143 N145 F146 P147 A152 L153 Y161T120-M149 HydrophobicContact CG2-CG 4.03Å; T120-M149 HydrophobicContact CG2-SD 3.95Å; A121-M149 WeakPolarHBondContact CA-SD 3.33Å; Q122-M149 HydrophobicContact CB-CE 3.96Å; M143-M149 HydrophobicContact CB-CG 3.73Å; M143-M149 HydrophobicContact CG-CG 4.15Å; M143-M149 HydrophobicContact SD-CB 4.32Å; M143-M149 HydrophobicContact SD-CG 3.73Å; N145-M149 PolarHBondContact O-N 2.96Å; F146-M149 HydrophobicContact CB-CE 4.25Å; F146-M149 HydrophobicContact CD1-CE 3.26Å; F146-M149 HydrophobicContact CE1-CE 3.64Å; F146-M149 HydrophobicContact CG-CE 3.82Å; F146-M149 HydrophobicContact CZ-CE 4.47Å; F146-M149 WeakPolarHBondContact O-CA 3.3Å; F146-M149 WeakPolarHBondContact O-CB 3.17Å; F146-M149 PolarHBondContact O-N 3.46Å; P147-M149 VanDerWaalsContact C-N 3.31Å; P147-M149 PolarHBondContact O-N 3.45Å; M149-A152 PolarHBondContact O-N 2.83Å; M149-L153 VanDerWaalsContact O-CB 3.28Å; M149-L153 WeakPolarHBondContact O-CB 3.43Å; M149-L153 PolarHBondContact O-N 2.97Å; M149-Y161 HydrophobicContact CB-CD1 3.7Å; M149-Y161 HydrophobicContact CB-CD2 4.13Å; M149-Y161 HydrophobicContact CB-CE1 4.15Å; M149-Y161 HydrophobicContact CB-CG 3.69Å; M149-Y161 HydrophobicContact CE-CD2 4.04Å; M149-Y161 HydrophobicContact CG-CG 4.43Å; M149-Y161 HydrophobicContact SD-CD2 4.11Å; M149-Y161 HydrophobicContact SD-CG 4.06Å
150R88Confident90.8Very high7 Ų741 Ų413%0.02624%0.236CC..Hα-helixtrans-60.7-45.4173.6-69.9-177.3-170.7-163.64.7111.7F146 P147 A152 L153 E154 Y161 E167 L178F146-R150 PolarHBondContact O-N 2.9Å; P147-R150 PolarHBondContact O-N 3.37Å; R150-A152 PolarHBondContact O-N 2.65Å; R150-L153 WeakPolarHBondContact O-CB 3.31Å; R150-L153 PolarHBondContact O-N 3.4Å; R150-E154 WeakPolarHBondContact O-CB 3.43Å; R150-E154 VanDerWaalsContact O-CG 3.31Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.49Å; R150-Y161 HydrophobicContact CG-CE1 4.15Å; R150-Y161 VanDerWaalsContact CG-OH 3.3Å; R150-Y161 WeakPolarHBondContact CG-OH 3.3Å; R150-E167 IonicContact CZ-OE1 3.27Å; R150-E167 IonicContact NE-OE1 2.68Å; R150-E167 PolarHBondContact NE-OE1 3.4Å; R150-E167 PolarHBondContact NH2-O 2.82Å; R150-E167 IonicContact NH2-OE1 3.81Å; R150-E167 PolarHBondContact NH2-OE1 3.29Å; R150-L178 HydrophobicContact CG-CD1 4.41Å
151V84.8Confident90.8Very high47 Ų4738.6 Ų38.629%0.28523%0.225SC..Hα-helixtrans-61.9-46176.9177.70000111.1P147 A148 L153 E154 S155 F444P147-V151 PolarHBondContact O-N 2.91Å; A148-V151 PolarHBondContact O-N 2.97Å; V151-L153 PolarHBondContact O-N 3.35Å; V151-E154 PolarHBondContact O-N 3.27Å; V151-S155 WeakPolarHBondContact O-CB 3.42Å; V151-S155 PolarHBondContact O-N 3.01Å; V151-S155 PolarHBondContact O-OG 2.87Å; V151-F444 HydrophobicContact CG2-CB 3.64Å; V151-F444 HydrophobicContact CG2-CD2 3.35Å; V151-F444 HydrophobicContact CG2-CE2 4.37Å; V151-F444 HydrophobicContact CG2-CG 3.74Å
152A91.5Very high90.8Very high10 Ų1030.6 Ų30.68%0.08319%0.187CC..Hα-helixtrans-63.6-33.9178.700000112.2M143 A148 M149 R150 S155 G156 T157 I158M143-A152 HydrophobicContact CE-CB 3.52Å; M143-A152 HydrophobicContact SD-CB 3.77Å; A148-A152 PolarHBondContact O-N 3.5Å; M149-A152 PolarHBondContact O-N 2.83Å; R150-A152 PolarHBondContact O-N 2.65Å; A152-S155 PolarHBondContact O-OG 2.8Å; A152-G156 PolarHBondContact O-N 2.76Å; A152-T157 WeakPolarHBondContact O-CB 3.37Å; A152-T157 PolarHBondContact O-N 3.32Å; A152-I158 HydrophobicContact CB-CD1 3.99Å; A152-I158 HydrophobicContact CB-CG1 3.97Å; A152-I158 HydrophobicContact CB-CG2 4.39Å; A152-I158 PolarHBondContact O-N 3.28Å; A152-I158 VanDerWaalsContact O-N 3.16Å
153L93.3Very high90.7Very high0 Ų029.5 Ų29.50%018%0.178CC..Hα-helixtrans-70.9-45.4176.5-177.959.8000111.2V98 R100 M149 R150 V151 G156 I158 D159 Y161 L178V98-L153 HydrophobicContact CB-CD2 4.39Å; V98-L153 HydrophobicContact CG1-CD2 3.87Å; V98-L153 WeakPolarHBondContact O-CD2 3.29Å; R100-L153 VanDerWaalsContact CD-O 3.28Å; R100-L153 WeakPolarHBondContact CD-O 3.47Å; R100-L153 HydrophobicContact CG-CD1 4.03Å; R100-L153 HydrophobicContact CG-CG 4.03Å; R100-L153 WeakPolarHBondContact CG-O 3.36Å; R100-L153 PolarHBondContact NH1-O 2.94Å; M149-L153 VanDerWaalsContact O-CB 3.28Å; M149-L153 WeakPolarHBondContact O-CB 3.43Å; M149-L153 PolarHBondContact O-N 2.97Å; R150-L153 WeakPolarHBondContact O-CB 3.31Å; R150-L153 PolarHBondContact O-N 3.4Å; V151-L153 PolarHBondContact O-N 3.35Å; L153-G156 PolarHBondContact O-N 2.93Å; L153-I158 HydrophobicContact CB-CD1 4.2Å; L153-I158 HydrophobicContact CB-CG1 3.98Å; L153-I158 HydrophobicContact CD1-CG1 4.24Å; L153-D159 VanDerWaalsContact CD1-C 3.49Å; L153-D159 WeakPolarHBondContact CD1-O 3.41Å; L153-Y161 HydrophobicContact CB-CD1 4.34Å; L153-Y161 HydrophobicContact CB-CE1 4.41Å; L153-Y161 HydrophobicContact CD2-CD1 3.88Å; L153-Y161 HydrophobicContact CD2-CE1 3.66Å; L153-L178 HydrophobicContact CD2-CD2 3.66Å; L153-L178 HydrophobicContact CG-CD2 3.95Å
154E86.1Confident90.6Very high92 Ų9228.1 Ų28.143%0.4317%0.171SC..Hα-helixtrans-61.2-40.9175.3-75173.4-168.600112.2R150 V151 G156 N175 L178R150-E154 WeakPolarHBondContact O-CB 3.43Å; R150-E154 VanDerWaalsContact O-CG 3.31Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.49Å; V151-E154 PolarHBondContact O-N 3.27Å; E154-G156 PolarHBondContact O-N 2.83Å; E154-N175 VanDerWaalsContact CD-ND2 3.34Å; E154-N175 PolarHBondContact OE1-ND2 3.44Å; E154-L178 HydrophobicContact CG-CD2 4.4Å
155S88.3Confident91Very high77 Ų7726.5 Ų26.554%0.53816%0.156SC..THydrogen-bonded Turntrans-76.4-6.8179.772.10000114V151 A152 T157V151-S155 WeakPolarHBondContact O-CB 3.42Å; V151-S155 PolarHBondContact O-N 3.01Å; V151-S155 PolarHBondContact O-OG 2.87Å; A152-S155 PolarHBondContact O-OG 2.8Å; S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 3.22Å; S155-T157 PolarHBondContact OG-OG1 3.16Å
156G91.8Very high91.2Very high32 Ų3224.7 Ų24.733%0.3315%0.146SC..THydrogen-bonded Turntrans75.112.9-175.500000114.6A152 L153 E154 I158A152-G156 PolarHBondContact O-N 2.76Å; L153-G156 PolarHBondContact O-N 2.93Å; E154-G156 PolarHBondContact O-N 2.83Å; G156-I158 VanDerWaalsContact C-N 3.31Å
157T95.4Very high91.3Very high77 Ų7724.5 Ų24.547%0.47215%0.146SC..SBendtrans-67-38.2174.3-59.20000110.4K118 A152 S155K118-T157 WeakPolarHBondContact CD-O 3.36Å; A152-T157 WeakPolarHBondContact O-CB 3.37Å; A152-T157 PolarHBondContact O-N 3.32Å; S155-T157 VanDerWaalsContact C-N 3.27Å; S155-T157 PolarHBondContact O-N 3.22Å; S155-T157 PolarHBondContact OG-OG1 3.16Å
158I98.2Very high91.9Very high1 Ų124 Ų241%0.00514%0.142CC..  trans-120.8161.4172.466.4177.9000110.8R100 T120 Q140 M143 A152 L153 G156 Y161R100-I158 PolarHBondContact NH1-O 3.26Å; T120-I158 HydrophobicContact CG2-CD1 3.67Å; T120-I158 HydrophobicContact CG2-CG2 4.26Å; Q140-I158 HydrophobicContact CG-CG2 4.04Å; M143-I158 HydrophobicContact CE-CG2 3.99Å; A152-I158 HydrophobicContact CB-CD1 3.99Å; A152-I158 HydrophobicContact CB-CG1 3.97Å; A152-I158 HydrophobicContact CB-CG2 4.39Å; A152-I158 PolarHBondContact O-N 3.28Å; A152-I158 VanDerWaalsContact O-N 3.16Å; L153-I158 HydrophobicContact CB-CD1 4.2Å; L153-I158 HydrophobicContact CB-CG1 3.98Å; L153-I158 HydrophobicContact CD1-CG1 4.24Å; G156-I158 VanDerWaalsContact C-N 3.31Å; I158-Y161 HydrophobicContact CD1-CD1 4.24Å
159D98.5Very high92Very high28 Ų2823.9 Ų23.915%0.1514%0.138CC..SBendtrans-101.4-20.1176-63.7-53000112.3T99 R100 Y105 A117 K118 L153T99-D159 WeakPolarHBondContact CB-O 3.48Å; T99-D159 PolarHBondContact OG1-O 2.92Å; R100-D159 IonicContact NH2-OD1 3.97Å; Y105-D159 HydrophobicContact CD2-CB 4.06Å; Y105-D159 HydrophobicContact CE2-CB 3.8Å; A117-D159 HydrophobicContact CB-CB 4.03Å; K118-D159 PolarHBondContact N-OD2 2.72Å; K118-D159 PolarHBondContact O-N 2.74Å; L153-D159 VanDerWaalsContact CD1-C 3.49Å; L153-D159 WeakPolarHBondContact CD1-O 3.41Å
160G98.4Very high91.7Very high0 Ų023.9 Ų23.90%014%0.138CC..EExtended strand (participates in β ladder)trans-167.3166.417000000112.7V98 K118 V119 T120V98-G160 CarbonylContact O-C 3.55Å; V98-G160 WeakPolarHBondContact O-CA 3.41Å; K118-G160 PolarHBondContact O-N 2.65Å; V119-G160 VanDerWaalsContact CA-O 3.3Å; V119-G160 WeakPolarHBondContact CA-O 3.48Å; T120-G160 PolarHBondContact N-O 3.48Å
161Y98.5Very high91.6Very high0 Ų023.5 Ų23.50%014%0.137CC..EExtended strand (participates in β ladder)trans-133.8145.3167.963.8-93.5000111.1I97 V98 T120 F146 M149 R150 L153 I158 E167 A171I97-Y161 WeakPolarHBondContact CA-O 3.47Å; V98-Y161 HydrophobicContact CB-CD1 4.2Å; V98-Y161 HydrophobicContact CB-CD2 4.39Å; V98-Y161 HydrophobicContact CB-CE1 3.65Å; V98-Y161 HydrophobicContact CB-CE2 3.85Å; V98-Y161 VanDerWaalsContact CB-CZ 3.44Å; V98-Y161 HydrophobicContact CG1-CE1 3.87Å; V98-Y161 HydrophobicContact CG2-CE1 4.4Å; V98-Y161 HydrophobicContact CG2-CE2 3.76Å; V98-Y161 PolarHBondContact N-O 3.37Å; V98-Y161 PolarHBondContact O-N 2.9Å; T120-Y161 CarbonylContact O-C 3.58Å; T120-Y161 WeakPolarHBondContact O-CA 3.37Å; T120-Y161 WeakPolarHBondContact O-CB 3.39Å; F146-Y161 HydrophobicContact CD1-CD2 4.26Å; F146-Y161 AromaticContact CD1-CE2 3.89Å; F146-Y161 HydrophobicContact CD1-CE2 3.89Å; F146-Y161 HydrophobicContact CE1-CE2 4.48Å; M149-Y161 HydrophobicContact CB-CD1 3.7Å; M149-Y161 HydrophobicContact CB-CD2 4.13Å; M149-Y161 HydrophobicContact CB-CE1 4.15Å; M149-Y161 HydrophobicContact CB-CG 3.69Å; M149-Y161 HydrophobicContact CE-CD2 4.04Å; M149-Y161 HydrophobicContact CG-CG 4.43Å; M149-Y161 HydrophobicContact SD-CD2 4.11Å; M149-Y161 HydrophobicContact SD-CG 4.06Å; R150-Y161 HydrophobicContact CG-CE1 4.15Å; R150-Y161 VanDerWaalsContact CG-OH 3.3Å; R150-Y161 WeakPolarHBondContact CG-OH 3.3Å; L153-Y161 HydrophobicContact CB-CD1 4.34Å; L153-Y161 HydrophobicContact CB-CE1 4.41Å; L153-Y161 HydrophobicContact CD2-CD1 3.88Å; L153-Y161 HydrophobicContact CD2-CE1 3.66Å; I158-Y161 HydrophobicContact CD1-CD1 4.24Å; Y161-E167 WeakPolarHBondContact CE2-OE2 3.3Å; Y161-E167 PolarHBondContact OH-OE1 2.95Å; Y161-E167 PolarHBondContact OH-OE2 2.85Å; Y161-A171 WeakPolarHBondContact OH-CB 3.39Å
162V98.3Very high91.7Very high0 Ų023.7 Ų23.70%013%0.134CC..EExtended strand (participates in β ladder)trans-75.8129.5175.6-176.20000108.6L95 I97 V119 T120 A121 H127 V130 I131 F189L95-V162 HydrophobicContact CB-CG1 4.42Å; L95-V162 HydrophobicContact CD1-CG1 3.93Å; L95-V162 HydrophobicContact CD2-CG1 4.16Å; L95-V162 HydrophobicContact CG-CG1 4.42Å; I97-V162 HydrophobicContact CG1-CG2 4.38Å; V119-V162 HydrophobicContact CG1-CG2 3.99Å; T120-V162 PolarHBondContact O-N 2.9Å; A121-V162 HydrophobicContact CB-CB 4.12Å; H127-V162 HydrophobicContact CB-CB 4.31Å; H127-V162 HydrophobicContact CB-CG1 4.06Å; V130-V162 HydrophobicContact CG2-CG1 3.97Å; I131-V162 HydrophobicContact CD1-CG2 4.45Å; I131-V162 HydrophobicContact CG1-CG2 3.72Å; V162-F189 HydrophobicContact CG1-CE2 4.02Å; V162-F189 HydrophobicContact CG1-CZ 4.13Å; V162-F189 HydrophobicContact CG2-CE1 4.3Å; V162-F189 HydrophobicContact CG2-CE2 4.28Å; V162-F189 HydrophobicContact CG2-CZ 3.65Å
163S94.5Very high91.3Very high0 Ų026.9 Ų26.90%016%0.156CC..EExtended strand (participates in β ladder)trans-140.7167.1-177.3-165.10000110.6L95 V96 F146 E167L95-S163 CarbonylContact C-O 3.53Å; L95-S163 WeakPolarHBondContact CA-O 3.25Å; L95-S163 WeakPolarHBondContact CD2-O 3.41Å; V96-S163 WeakPolarHBondContact CG2-O 3.49Å; V96-S163 PolarHBondContact N-O 3.49Å; V96-S163 PolarHBondContact O-N 3.17Å; V96-S163 VanDerWaalsContact O-O 3.08Å; F146-S163 VanDerWaalsContact CE1-OG 3.28Å; F146-S163 WeakPolarHBondContact CE1-OG 3.35Å; S163-E167 VanDerWaalsContact CB-OE2 3.29Å; S163-E167 WeakPolarHBondContact CB-OE2 3.42Å; S163-E167 WeakPolarHBondContact OG-CB 3.49Å; S163-E167 PolarHBondContact OG-OE2 2.61Å
164E90.9Very high90.6Very high10 Ų1028.7 Ų28.75%0.04717%0.167CC..EExtended strand (participates in β ladder)trans-88.4154.5163.573.2-65.1150.600111.3Y5 F8 Q94 H127 F146 E167 G168Y5-E164 VanDerWaalsContact CE2-OE1 3.28Å; Y5-E164 WeakPolarHBondContact CE2-OE1 3.39Å; Y5-E164 PolarHBondContact OH-OE1 2.9Å; Y5-E164 PolarHBondContact OH-OE2 2.96Å; Y5-E164 VanDerWaalsContact OH-OE2 3.05Å; F8-E164 HydrophobicContact CE2-CG 3.93Å; F8-E164 HydrophobicContact CZ-CG 4.44Å; Q94-E164 WeakPolarHBondContact O-CA 3.31Å; H127-E164 IonicContact CD2-OE2 3.95Å; H127-E164 IonicContact CE1-OE2 3.95Å; H127-E164 IonicContact NE2-OE2 2.62Å; H127-E164 PolarHBondContact NE2-OE2 2.9Å; F146-E164 VanDerWaalsContact CZ-OE2 3.27Å; F146-E164 WeakPolarHBondContact CZ-OE2 3.36Å; E164-E167 PolarHBondContact O-N 3.36Å; E164-E167 WeakPolarHBondContact OE1-CB 3.21Å; E164-G168 PolarHBondContact O-N 3.48Å
165R90.2Very high90.5Very high86 Ų8625.5 Ų25.533%0.32515%0.153SC..Hα-helixtrans-51.2-47.5-173.5-176.2-177.5-174.2-84.3-6.2114.7S93 Q94 V96 E167 G168 V169 M180 E182S93-R165 PolarHBondContact OG-N 2.96Å; Q94-R165 HydrophobicContact CG-CB 4.16Å; Q94-R165 PolarHBondContact O-N 3.2Å; V96-R165 HydrophobicContact CG1-CB 3.99Å; V96-R165 HydrophobicContact CG1-CG 4.44Å; R165-E167 PolarHBondContact O-N 2.93Å; R165-G168 PolarHBondContact O-N 2.99Å; R165-G168 VanDerWaalsContact O-N 3.17Å; R165-V169 HydrophobicContact CG-CG2 4.23Å; R165-V169 WeakPolarHBondContact O-CG2 3.33Å; R165-V169 PolarHBondContact O-N 3.25Å; R165-M180 HydrophobicContact CG-CE 4.32Å; R165-M180 HydrophobicContact CG-SD 4.02Å; R165-E182 VanDerWaalsContact CD-OE2 3.24Å; R165-E182 WeakPolarHBondContact CD-OE2 3.28Å; R165-E182 IonicContact CZ-OE2 3.86Å; R165-E182 IonicContact NE-OE1 3.35Å; R165-E182 IonicContact NE-OE2 3.01Å; R165-E182 PolarHBondContact NE-OE2 3.04Å; R165-E182 IonicContact NH2-OE1 3.83Å
166P87.7Confident90.3Very high1 Ų126 Ų261%0.00616%0.155CC..Hα-helixtrans-55.3-44.4177.7-30.635.8000115.7P7 F8 Y91 S93 T170 M228P7-P166 HydrophobicContact CG-CB 3.57Å; F8-P166 HydrophobicContact CE2-CB 4.05Å; F8-P166 HydrophobicContact CE2-CG 4.25Å; F8-P166 HydrophobicContact CZ-CB 4.35Å; F8-P166 HydrophobicContact CZ-CG 4.1Å; Y91-P166 HydrophobicContact CE1-CG 3.54Å; Y91-P166 WeakPolarHBondContact OH-CG 3.16Å; S93-P166 WeakPolarHBondContact OG-CD 3.28Å; P166-T170 WeakPolarHBondContact O-CB 3.41Å; P166-T170 PolarHBondContact O-N 3.48Å; P166-T170 PolarHBondContact O-OG1 3.25Å; P166-M228 HydrophobicContact CB-CE 4.27Å; P166-M228 HydrophobicContact CB-SD 3.95Å; P166-M228 HydrophobicContact CG-CE 4.02Å; P166-M228 HydrophobicContact CG-SD 4.12Å
167E88Confident90.2Very high1 Ų130 Ų301%0.00517%0.168CC..Hα-helixtrans-68.5-39.8175.8-176.3-70.1153.300110.6Y5 F146 R150 Y161 S163 E164 R165 V169 T170 A171Y5-E167 HydrophobicContact CE2-CB 4.39Å; Y5-E167 HydrophobicContact CE2-CG 4.5Å; F146-E167 HydrophobicContact CB-CG 3.94Å; F146-E167 HydrophobicContact CD1-CG 3.73Å; F146-E167 HydrophobicContact CD2-CG 4.23Å; F146-E167 HydrophobicContact CE1-CG 4.28Å; F146-E167 HydrophobicContact CG-CG 3.7Å; R150-E167 IonicContact CZ-OE1 3.27Å; R150-E167 IonicContact NE-OE1 2.68Å; R150-E167 PolarHBondContact NE-OE1 3.4Å; R150-E167 PolarHBondContact NH2-O 2.82Å; R150-E167 IonicContact NH2-OE1 3.81Å; R150-E167 PolarHBondContact NH2-OE1 3.29Å; Y161-E167 WeakPolarHBondContact CE2-OE2 3.3Å; Y161-E167 PolarHBondContact OH-OE1 2.95Å; Y161-E167 PolarHBondContact OH-OE2 2.85Å; S163-E167 VanDerWaalsContact CB-OE2 3.29Å; S163-E167 WeakPolarHBondContact CB-OE2 3.42Å; S163-E167 WeakPolarHBondContact OG-CB 3.49Å; S163-E167 PolarHBondContact OG-OE2 2.61Å; E164-E167 PolarHBondContact O-N 3.36Å; E164-E167 WeakPolarHBondContact OE1-CB 3.21Å; R165-E167 PolarHBondContact O-N 2.93Å; E167-V169 PolarHBondContact O-N 3.44Å; E167-T170 CarbonylContact O-C 3.54Å; E167-T170 WeakPolarHBondContact O-CA 3.5Å; E167-T170 VanDerWaalsContact O-CB 3.29Å; E167-T170 WeakPolarHBondContact O-CB 3.49Å; E167-T170 PolarHBondContact O-N 2.98Å; E167-T170 VanDerWaalsContact O-N 3.08Å; E167-A171 PolarHBondContact O-N 2.89Å
168G90.8Very high90.1Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-61.1-42.9176.800000113E164 R165 T170 A171 E172 M180E164-G168 PolarHBondContact O-N 3.48Å; R165-G168 PolarHBondContact O-N 2.99Å; R165-G168 VanDerWaalsContact O-N 3.17Å; G168-T170 VanDerWaalsContact C-N 3.29Å; G168-T170 PolarHBondContact O-N 2.84Å; G168-A171 PolarHBondContact O-N 3.34Å; G168-E172 PolarHBondContact O-N 3.14Å; G168-M180 VanDerWaalsContact C-SD 3.54Å
169V87.7Confident90Very high32 Ų3229.3 Ų29.319%0.19416%0.159CC..Hα-helixtrans-59.7-43.8172.4171.10000110.1R165 E167 A171 E172 S173 M180 I232R165-V169 HydrophobicContact CG-CG2 4.23Å; R165-V169 WeakPolarHBondContact O-CG2 3.33Å; R165-V169 PolarHBondContact O-N 3.25Å; E167-V169 PolarHBondContact O-N 3.44Å; V169-A171 PolarHBondContact O-N 2.96Å; V169-E172 PolarHBondContact O-N 2.89Å; V169-S173 VanDerWaalsContact O-CB 3.27Å; V169-S173 WeakPolarHBondContact O-CB 3.44Å; V169-S173 PolarHBondContact O-N 3.42Å; V169-S173 PolarHBondContact O-OG 3.33Å; V169-M180 HydrophobicContact CG2-CE 3.54Å; V169-M180 HydrophobicContact CG2-SD 3.89Å; V169-M180 PolarHBondContact N-SD 2.99Å; V169-M180 VanDerWaalsContact N-SD 3.43Å; V169-I232 HydrophobicContact CG1-CD1 4.11Å; V169-I232 HydrophobicContact CG1-CG2 3.92Å
170T84.3Confident89.9Confident0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-62.2-44.5177.2-62.60000111.3P7 P166 E167 G168 S173 V174 Q235 Y442P7-T170 WeakPolarHBondContact CD-OG1 3.43Å; P166-T170 WeakPolarHBondContact O-CB 3.41Å; P166-T170 PolarHBondContact O-N 3.48Å; P166-T170 PolarHBondContact O-OG1 3.25Å; E167-T170 CarbonylContact O-C 3.54Å; E167-T170 WeakPolarHBondContact O-CA 3.5Å; E167-T170 VanDerWaalsContact O-CB 3.29Å; E167-T170 WeakPolarHBondContact O-CB 3.49Å; E167-T170 PolarHBondContact O-N 2.98Å; E167-T170 VanDerWaalsContact O-N 3.08Å; G168-T170 VanDerWaalsContact C-N 3.29Å; G168-T170 PolarHBondContact O-N 2.84Å; T170-S173 WeakPolarHBondContact CA-OG 3.38Å; T170-S173 PolarHBondContact O-N 3.04Å; T170-S173 PolarHBondContact O-OG 2.94Å; T170-V174 HydrophobicContact CG2-CG2 4.22Å; T170-V174 WeakPolarHBondContact O-CB 3.49Å; T170-V174 VanDerWaalsContact O-CG2 3.3Å; T170-V174 WeakPolarHBondContact O-CG2 3.2Å; T170-V174 PolarHBondContact O-N 2.89Å; T170-Q235 PolarHBondContact OG1-NE2 2.91Å; T170-Q235 PolarHBondContact OG1-OE1 2.81Å; T170-Y442 HydrophobicContact CG2-CE1 4.41Å; T170-Y442 WeakPolarHBondContact CG2-OH 3.37Å
171A86.3Confident89.8Confident0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-59.6-48.6178.800000111.9V98 Y161 E167 G168 V169 S173 N175 L178V98-A171 HydrophobicContact CG1-CB 3.89Å; V98-A171 HydrophobicContact CG2-CB 4.31Å; Y161-A171 WeakPolarHBondContact OH-CB 3.39Å; E167-A171 PolarHBondContact O-N 2.89Å; G168-A171 PolarHBondContact O-N 3.34Å; V169-A171 PolarHBondContact O-N 2.96Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-S173 PolarHBondContact O-N 3.35Å; A171-N175 PolarHBondContact O-N 3.23Å; A171-L178 HydrophobicContact CB-CD1 4.21Å
172E88Confident89.7Confident51 Ų5132.5 Ų32.524%0.23817%0.173CC..Hα-helixtrans-66.9-33.8177.2-177.9166.2-175.300112.3G168 V169 K179 M180G168-E172 PolarHBondContact O-N 3.14Å; V169-E172 PolarHBondContact O-N 2.89Å; E172-K179 VanDerWaalsContact CD-NZ 3.28Å; E172-K179 VanDerWaalsContact OE1-CD 3.22Å; E172-K179 WeakPolarHBondContact OE1-CD 3.09Å; E172-K179 IonicContact OE1-NZ 3.82Å; E172-K179 PolarHBondContact OE1-NZ 3.23Å; E172-K179 IonicContact OE2-NZ 2.84Å; E172-K179 PolarHBondContact OE2-NZ 3.46Å; E172-M180 WeakPolarHBondContact OE2-CB 3.31Å; E172-M180 PolarHBondContact OE2-N 2.91Å
173S82.7Confident89.5Confident76 Ų7633.2 Ų33.253%0.53118%0.176SC..Hα-helixtrans-71.3-37.7178.874.50000113.4V169 T170 A171V169-S173 VanDerWaalsContact O-CB 3.27Å; V169-S173 WeakPolarHBondContact O-CB 3.44Å; V169-S173 PolarHBondContact O-N 3.42Å; V169-S173 PolarHBondContact O-OG 3.33Å; T170-S173 WeakPolarHBondContact CA-OG 3.38Å; T170-S173 PolarHBondContact O-N 3.04Å; T170-S173 PolarHBondContact O-OG 2.94Å; A171-S173 VanDerWaalsContact C-N 3.34Å; A171-S173 PolarHBondContact O-N 3.35Å
174V77.6Confident89.3Confident39 Ų3937.3 Ų37.324%0.23620%0.198CC..Hα-helixtrans-84-36.5-176.1170.70000111.1T170 Y442T170-V174 HydrophobicContact CG2-CG2 4.22Å; T170-V174 WeakPolarHBondContact O-CB 3.49Å; T170-V174 VanDerWaalsContact O-CG2 3.3Å; T170-V174 WeakPolarHBondContact O-CG2 3.2Å; T170-V174 PolarHBondContact O-N 2.89Å; V174-Y442 HydrophobicContact CB-CD2 4.3Å; V174-Y442 HydrophobicContact CB-CE2 4.37Å; V174-Y442 HydrophobicContact CG1-CD2 3.42Å; V174-Y442 VanDerWaalsContact CG1-CD2 3.42Å; V174-Y442 HydrophobicContact CG1-CE2 3.92Å; V174-Y442 HydrophobicContact CG1-CG 3.86Å; V174-Y442 HydrophobicContact CG2-CD2 4.06Å; V174-Y442 HydrophobicContact CG2-CE2 3.65Å
175N83.7Confident89.1Confident25 Ų2546.5 Ų46.513%0.13424%0.238CC..  trans-123105.4178.8-173.8-13.3000110.3E154 A171 D177 L178E154-N175 VanDerWaalsContact CD-ND2 3.34Å; E154-N175 PolarHBondContact OE1-ND2 3.44Å; A171-N175 PolarHBondContact O-N 3.23Å; N175-D177 PolarHBondContact O-N 3Å; N175-D177 VanDerWaalsContact O-N 3.12Å; N175-D177 WeakPolarHBondContact OD1-CB 3.21Å; N175-D177 PolarHBondContact OD1-N 3.21Å; N175-L178 HydrophobicContact CB-CB 4.41Å; N175-L178 HydrophobicContact CB-CD1 3.95Å; N175-L178 HydrophobicContact CB-CG 3.85Å; N175-L178 WeakPolarHBondContact O-CB 3.29Å; N175-L178 PolarHBondContact O-N 3.33Å
176P85.7Confident89.1Confident88 Ų8846.5 Ų46.557%0.57126%0.256SS*.THydrogen-bonded Turntrans-67.6-11.4-178.129.1-35.9000114.2K101 L178K101-P176 WeakPolarHBondContact CD-O 3.5Å; P176-L178 VanDerWaalsContact C-N 3.33Å
177D89.3Confident89.4Confident114 Ų11449.1 Ų49.161%0.6127%0.27SS*.THydrogen-bonded Turntrans-83.8-11.8173.5-60.2-29.9000112.1K101 N175K101-D177 VanDerWaalsContact CB-O 3.26Å; K101-D177 WeakPolarHBondContact CB-O 3.36Å; K101-D177 PolarHBondContact N-O 2.82Å; N175-D177 PolarHBondContact O-N 3Å; N175-D177 VanDerWaalsContact O-N 3.12Å; N175-D177 WeakPolarHBondContact OD1-CB 3.21Å; N175-D177 PolarHBondContact OD1-N 3.21Å
178L93Very high89.7Confident2 Ų249.5 Ų49.51%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-91.2153.5171.8-58.4-174.1000110.9V98 T99 R100 R150 L153 E154 A171 N175 P176V98-L178 HydrophobicContact CG1-CB 4.24Å; V98-L178 HydrophobicContact CG1-CD1 4.35Å; T99-L178 CarbonylContact O-C 3.5Å; T99-L178 WeakPolarHBondContact O-CA 3.44Å; R100-L178 HydrophobicContact CG-CD2 4.33Å; R150-L178 HydrophobicContact CG-CD1 4.41Å; L153-L178 HydrophobicContact CD2-CD2 3.66Å; L153-L178 HydrophobicContact CG-CD2 3.95Å; E154-L178 HydrophobicContact CG-CD2 4.4Å; A171-L178 HydrophobicContact CB-CD1 4.21Å; N175-L178 HydrophobicContact CB-CB 4.41Å; N175-L178 HydrophobicContact CB-CD1 3.95Å; N175-L178 HydrophobicContact CB-CG 3.85Å; N175-L178 WeakPolarHBondContact O-CB 3.29Å; N175-L178 PolarHBondContact O-N 3.33Å; P176-L178 VanDerWaalsContact C-N 3.33Å
179K96Very high89.9Confident63 Ų6350.4 Ų50.427%0.27428%0.278SS..EExtended strand (participates in β ladder)trans-134.5124.4176.7-178.154.9-173.91520110.1V98 T99 K101 A106 E172 V181V98-K179 WeakPolarHBondContact CA-O 3.47Å; T99-K179 HydrophobicContact CG2-CB 4.35Å; T99-K179 PolarHBondContact N-O 3.18Å; T99-K179 PolarHBondContact O-N 3.05Å; K101-K179 HydrophobicContact CB-CB 4.23Å; A106-K179 HydrophobicContact CB-CB 4.22Å; A106-K179 HydrophobicContact CB-CG 4.15Å; E172-K179 VanDerWaalsContact CD-NZ 3.28Å; E172-K179 VanDerWaalsContact OE1-CD 3.22Å; E172-K179 WeakPolarHBondContact OE1-CD 3.09Å; E172-K179 IonicContact OE1-NZ 3.82Å; E172-K179 PolarHBondContact OE1-NZ 3.23Å; E172-K179 IonicContact OE2-NZ 2.84Å; E172-K179 PolarHBondContact OE2-NZ 3.46Å; K179-V181 HydrophobicContact CG-CG2 4.47Å
180M96.1Very high90.1Very high11 Ų1154.7 Ų54.75%0.05430%0.296CS..EExtended strand (participates in β ladder)trans-78.9128.3164.9-177.2-177.361.500109.3V96 R165 G168 V169 E172 E182V96-M180 HydrophobicContact CB-CG 3.83Å; V96-M180 HydrophobicContact CB-SD 4.24Å; V96-M180 HydrophobicContact CG1-CG 4.13Å; V96-M180 HydrophobicContact CG1-SD 3.98Å; V96-M180 HydrophobicContact CG2-CG 3.75Å; V96-M180 HydrophobicContact CG2-SD 3.97Å; R165-M180 HydrophobicContact CG-CE 4.32Å; R165-M180 HydrophobicContact CG-SD 4.02Å; G168-M180 VanDerWaalsContact C-SD 3.54Å; V169-M180 HydrophobicContact CG2-CE 3.54Å; V169-M180 HydrophobicContact CG2-SD 3.89Å; V169-M180 PolarHBondContact N-SD 2.99Å; V169-M180 VanDerWaalsContact N-SD 3.43Å; E172-M180 WeakPolarHBondContact OE2-CB 3.31Å; E172-M180 PolarHBondContact OE2-N 2.91Å; M180-E182 HydrophobicContact CE-CG 3.69Å; M180-E182 WeakPolarHBondContact CE-OE1 3.49Å; M180-E182 HydrophobicContact CG-CG 4.25Å; M180-E182 HydrophobicContact SD-CG 4.16Å
181V97.7Very high90.3Very high7 Ų757.1 Ų57.14%0.04231%0.311CS..EExtended strand (participates in β ladder)trans-107.3114.3173.7-175.80000108.7V96 I97 T99 A108 F114 K179 F183V96-V181 WeakPolarHBondContact CA-O 3.37Å; V96-V181 WeakPolarHBondContact CB-O 3.1Å; I97-V181 PolarHBondContact N-O 3.42Å; I97-V181 VanDerWaalsContact N-O 3.08Å; I97-V181 WeakPolarHBondContact O-CB 3.28Å; I97-V181 PolarHBondContact O-N 3.27Å; T99-V181 HydrophobicContact CG2-CG2 3.83Å; A108-V181 HydrophobicContact CB-CG1 4.01Å; A108-V181 VanDerWaalsContact O-CG1 3.25Å; A108-V181 WeakPolarHBondContact O-CG1 3.42Å; F114-V181 HydrophobicContact CE2-CB 4.48Å; F114-V181 HydrophobicContact CE2-CG1 4.25Å; F114-V181 HydrophobicContact CZ-CB 4.32Å; F114-V181 HydrophobicContact CZ-CG2 4.13Å; K179-V181 HydrophobicContact CG-CG2 4.47Å; V181-F183 HydrophobicContact CB-CZ 4.24Å; V181-F183 HydrophobicContact CG1-CD1 4.3Å; V181-F183 HydrophobicContact CG1-CE1 3.56Å; V181-F183 HydrophobicContact CG1-CZ 3.7Å
182E95.2Very high90.3Very high77 Ų7761.6 Ų61.636%0.3634%0.335SS..  trans-97.1148.4175.7-57-170-112.300110.1Q94 V96 R165 M180Q94-E182 PolarHBondContact NE2-OE2 3.43Å; V96-E182 HydrophobicContact CG1-CB 4.49Å; V96-E182 HydrophobicContact CG1-CG 3.89Å; R165-E182 VanDerWaalsContact CD-OE2 3.24Å; R165-E182 WeakPolarHBondContact CD-OE2 3.28Å; R165-E182 IonicContact CZ-OE2 3.86Å; R165-E182 IonicContact NE-OE1 3.35Å; R165-E182 IonicContact NE-OE2 3.01Å; R165-E182 PolarHBondContact NE-OE2 3.04Å; R165-E182 IonicContact NH2-OE1 3.83Å; M180-E182 HydrophobicContact CE-CG 3.69Å; M180-E182 WeakPolarHBondContact CE-OE1 3.49Å; M180-E182 HydrophobicContact CG-CG 4.25Å; M180-E182 HydrophobicContact SD-CG 4.16Å
183F94.4Very high90.1Very high15 Ų1563.3 Ų63.37%0.06635%0.351CS..  trans-123.5147-179.1-49.4-74.7000110.2I97 S110 I111 F114 V181 F189I97-F183 HydrophobicContact CB-CE2 4.33Å; I97-F183 HydrophobicContact CB-CZ 4.28Å; I97-F183 HydrophobicContact CD1-CE2 4.15Å; I97-F183 HydrophobicContact CD1-CZ 3.93Å; I97-F183 HydrophobicContact CG1-CE2 3.94Å; I97-F183 HydrophobicContact CG1-CZ 4.1Å; S110-F183 VanDerWaalsContact C-CE1 3.42Å; I111-F183 HydrophobicContact CG2-CD1 4.28Å; I111-F183 HydrophobicContact CG2-CD2 3.87Å; I111-F183 HydrophobicContact CG2-CE1 4.19Å; I111-F183 HydrophobicContact CG2-CE2 3.78Å; I111-F183 HydrophobicContact CG2-CG 4.12Å; I111-F183 HydrophobicContact CG2-CZ 3.94Å; F114-F183 HydrophobicContact CD2-CZ 4.23Å; F114-F183 HydrophobicContact CE2-CE1 4.08Å; F114-F183 AromaticContact CE2-CZ 3.72Å; F114-F183 HydrophobicContact CE2-CZ 3.72Å; V181-F183 HydrophobicContact CB-CZ 4.24Å; V181-F183 HydrophobicContact CG1-CD1 4.3Å; V181-F183 HydrophobicContact CG1-CE1 3.56Å; V181-F183 HydrophobicContact CG1-CZ 3.7Å; F183-F189 HydrophobicContact CE2-CE2 4.16Å
184D91Very high90.1Very high86 Ų8662.5 Ų62.546%0.4634%0.338SS..  trans-70.6165.916669.154.1000111.2A186 N187 G188D184-A186 PolarHBondContact O-N 3.4Å; D184-A186 VanDerWaalsContact O-N 3.15Å; D184-A186 WeakPolarHBondContact OD1-CA 3.28Å; D184-A186 WeakPolarHBondContact OD1-CB 3.37Å; D184-A186 PolarHBondContact OD1-N 3.17Å; D184-N187 VanDerWaalsContact CG-ND2 3.35Å; D184-N187 PolarHBondContact O-N 2.88Å; D184-N187 VanDerWaalsContact O-N 3.15Å; D184-N187 WeakPolarHBondContact OD1-CB 3.37Å; D184-N187 PolarHBondContact OD1-N 2.95Å; D184-N187 PolarHBondContact OD1-ND2 2.93Å; D184-N187 VanDerWaalsContact OD1-ND2 3.17Å; D184-N187 PolarHBondContact OD2-ND2 3.43Å; D184-G188 WeakPolarHBondContact O-CA 3.4Å; D184-G188 PolarHBondContact O-N 3.5Å
185K85.8Confident90.4Very high202 Ų20261.6 Ų61.688%0.87833%0.332SS*.THydrogen-bonded Turntrans-58.8-28.5-177.7-68.7-172.3177-173.70114.2
186A90.3Very high90.5Very high86 Ų8661 Ų6171%0.71133%0.33SS*.THydrogen-bonded Turntrans-83.1-27.4-178.800000112.3D184D184-A186 PolarHBondContact O-N 3.4Å; D184-A186 VanDerWaalsContact O-N 3.15Å; D184-A186 WeakPolarHBondContact OD1-CA 3.28Å; D184-A186 WeakPolarHBondContact OD1-CB 3.37Å; D184-A186 PolarHBondContact OD1-N 3.17Å
187N93.9Very high90.8Very high57 Ų5758.5 Ų58.531%0.30531%0.31SS..THydrogen-bonded Turntrans-109.1-6.3-174.2-69.3-54.3000114S110 I111 D184S110-N187 WeakPolarHBondContact CA-O 3.26Å; S110-N187 PolarHBondContact OG-O 3.17Å; I111-N187 PolarHBondContact N-O 3.12Å; D184-N187 VanDerWaalsContact CG-ND2 3.35Å; D184-N187 PolarHBondContact O-N 2.88Å; D184-N187 VanDerWaalsContact O-N 3.15Å; D184-N187 WeakPolarHBondContact OD1-CB 3.37Å; D184-N187 PolarHBondContact OD1-N 2.95Å; D184-N187 PolarHBondContact OD1-ND2 2.93Å; D184-N187 VanDerWaalsContact OD1-ND2 3.17Å; D184-N187 PolarHBondContact OD2-ND2 3.43Å
188G93.9Very high90.9Very high8 Ų853.4 Ų53.48%0.08228%0.283CS..SBendtrans-91.7-173.5178.900000114.8D184D184-G188 WeakPolarHBondContact O-CA 3.4Å; D184-G188 PolarHBondContact O-N 3.5Å
189F94.9Very high91.1Very high20 Ų2053.3 Ų53.39%0.08828%0.283CS..  trans-67.7137.3174.3-63.1-78.7000111.4L95 I97 I111 V130 Q133 I134 V162 F183 T191L95-F189 HydrophobicContact CB-CB 4.39Å; L95-F189 HydrophobicContact CB-CD2 3.63Å; L95-F189 HydrophobicContact CB-CE2 4.32Å; L95-F189 HydrophobicContact CB-CG 4.33Å; L95-F189 HydrophobicContact CD1-CB 4.05Å; L95-F189 HydrophobicContact CD1-CD2 4.1Å; L95-F189 HydrophobicContact CD1-CG 4.11Å; I97-F189 HydrophobicContact CD1-CE2 4.13Å; I97-F189 HydrophobicContact CD1-CZ 3.8Å; I97-F189 HydrophobicContact CG1-CE2 3.85Å; I97-F189 HydrophobicContact CG1-CZ 3.9Å; I111-F189 HydrophobicContact CD1-CD1 4.33Å; I111-F189 HydrophobicContact CG2-CD1 4.29Å; I111-F189 HydrophobicContact CG2-CD2 4.02Å; I111-F189 HydrophobicContact CG2-CE1 4.16Å; I111-F189 HydrophobicContact CG2-CE2 3.88Å; I111-F189 HydrophobicContact CG2-CG 4.24Å; I111-F189 HydrophobicContact CG2-CZ 3.96Å; V130-F189 HydrophobicContact CB-CB 4.49Å; V130-F189 HydrophobicContact CB-CD1 3.76Å; V130-F189 HydrophobicContact CB-CE1 4.32Å; V130-F189 HydrophobicContact CB-CG 4.35Å; V130-F189 HydrophobicContact CG2-CD1 3.67Å; V130-F189 HydrophobicContact CG2-CE1 3.91Å; V130-F189 HydrophobicContact CG2-CG 4.1Å; Q133-F189 HydrophobicContact CB-CD1 4.39Å; I134-F189 HydrophobicContact CD1-CE1 4.08Å; I134-F189 HydrophobicContact CD1-CZ 4.02Å; I134-F189 HydrophobicContact CG1-CE1 3.88Å; I134-F189 HydrophobicContact CG1-CZ 4.22Å; V162-F189 HydrophobicContact CG1-CE2 4.02Å; V162-F189 HydrophobicContact CG1-CZ 4.13Å; V162-F189 HydrophobicContact CG2-CE1 4.3Å; V162-F189 HydrophobicContact CG2-CE2 4.28Å; V162-F189 HydrophobicContact CG2-CZ 3.65Å; F183-F189 HydrophobicContact CE2-CE2 4.16Å; F189-T191 HydrophobicContact CB-CG2 4.24Å
190Q92.5Very high91.2Very high122 Ų12250.4 Ų50.457%0.5727%0.27SS*.  trans-81.7118168.5-56.4-56.4-50.300108.6Q133Q133-Q190 PolarHBondContact NE2-O 3.41Å
191T88.6Confident91.3Very high50 Ų5049.9 Ų49.931%0.30727%0.268SS..  trans-130.9154.5-177.959.20000109.8L95 F126 V130 F189 V196L95-T191 HydrophobicContact CD1-CG2 3.85Å; L95-T191 HydrophobicContact CG-CG2 4.33Å; F126-T191 HydrophobicContact CE2-CG2 4.21Å; V130-T191 HydrophobicContact CG1-CG2 4.28Å; F189-T191 HydrophobicContact CB-CG2 4.24Å; T191-V196 HydrophobicContact CG2-CG1 3.94Å
192N86Confident91.3Very high95 Ų9549.9 Ų49.951%0.50827%0.267SS..  trans-77.8154.2164-56.1-61.4000109.2E194 D195N192-E194 HydrophobicContact CB-CG 4.06Å; N192-E194 PolarHBondContact O-N 2.94Å; N192-D195 VanDerWaalsContact CB-OD2 3.28Å; N192-D195 WeakPolarHBondContact CB-OD2 3.43Å; N192-D195 PolarHBondContact N-OD2 3.26Å; N192-D195 PolarHBondContact ND2-OD2 3Å; N192-D195 VanDerWaalsContact ND2-OD2 3.13Å; N192-D195 WeakPolarHBondContact O-CB 3.16Å; N192-D195 PolarHBondContact O-N 3.45Å
193P82.8Confident91.4Very high87 Ų8749.5 Ų49.557%0.56526%0.262SS*.Hα-helixtrans-53.8-39.5176-27.535.3000112.9D195 V196 Q197P193-D195 PolarHBondContact O-N 3.41Å; P193-V196 PolarHBondContact O-N 2.95Å; P193-Q197 WeakPolarHBondContact O-CB 3.19Å; P193-Q197 WeakPolarHBondContact O-CG 3.28Å; P193-Q197 PolarHBondContact O-N 2.92Å
194E82.8Confident91.5Very high58 Ų5854.2 Ų54.227%0.27128%0.283SS..Hα-helixtrans-67.5-21.5-179.862.9177.2-164.700114.3P76 R81 N192P76-E194 VanDerWaalsContact CD-O 3.29Å; P76-E194 WeakPolarHBondContact CD-O 3.34Å; P76-E194 HydrophobicContact CG-CB 4.4Å; R81-E194 IonicContact NE-OE2 3.74Å; N192-E194 HydrophobicContact CB-CG 4.06Å; N192-E194 PolarHBondContact O-N 2.94Å
195D84.3Confident91.6Very high20 Ų2053.1 Ų53.111%0.10729%0.292CS..Hα-helixtrans-72.8-44.2-179.8-65.8-40.1000110S75 F126 N192 P193S75-D195 WeakPolarHBondContact CB-O 3.3Å; S75-D195 PolarHBondContact OG-O 3.36Å; F126-D195 HydrophobicContact CD1-CB 4.24Å; F126-D195 HydrophobicContact CD2-CB 3.59Å; F126-D195 HydrophobicContact CE1-CB 4.35Å; F126-D195 WeakPolarHBondContact CE1-O 3.37Å; F126-D195 HydrophobicContact CE2-CB 3.66Å; F126-D195 HydrophobicContact CG-CB 3.87Å; F126-D195 VanDerWaalsContact CZ-C 3.47Å; F126-D195 HydrophobicContact CZ-CB 4.07Å; F126-D195 WeakPolarHBondContact CZ-O 3.41Å; N192-D195 VanDerWaalsContact CB-OD2 3.28Å; N192-D195 WeakPolarHBondContact CB-OD2 3.43Å; N192-D195 PolarHBondContact N-OD2 3.26Å; N192-D195 PolarHBondContact ND2-OD2 3Å; N192-D195 VanDerWaalsContact ND2-OD2 3.13Å; N192-D195 WeakPolarHBondContact O-CB 3.16Å; N192-D195 PolarHBondContact O-N 3.45Å; P193-D195 PolarHBondContact O-N 3.41Å
196V85.7Confident92.1Very high14 Ų1444.3 Ų44.39%0.08526%0.255CS..Hα-helixtrans-91.5-0.2-176.1-630000114E92 S93 L95 F126 T191 P193E92-V196 HydrophobicContact CG-CG2 4.32Å; S93-V196 PolarHBondContact N-O 3.12Å; S93-V196 VanDerWaalsContact O-CB 3.3Å; S93-V196 WeakPolarHBondContact O-CB 3.33Å; S93-V196 WeakPolarHBondContact O-CG2 3.49Å; L95-V196 HydrophobicContact CG-CG1 4.35Å; F126-V196 HydrophobicContact CE2-CG1 4.08Å; F126-V196 HydrophobicContact CZ-CG1 4.05Å; T191-V196 HydrophobicContact CG2-CG1 3.94Å; P193-V196 PolarHBondContact O-N 2.95Å
197Q91.9Very high92.4Very high35 Ų3545.7 Ų45.716%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-84.8151.1173.1-82.9172.6-4.300111.2S75 P76 P89 E92 P193S75-Q197 WeakPolarHBondContact CA-O 3.38Å; S75-Q197 WeakPolarHBondContact CB-O 3.21Å; S75-Q197 PolarHBondContact OG-O 2.84Å; P76-Q197 VanDerWaalsContact CD-O 3.27Å; P76-Q197 WeakPolarHBondContact CD-O 3.4Å; P76-Q197 HydrophobicContact CG-CB 4.41Å; P89-Q197 HydrophobicContact CB-CB 3.96Å; P89-Q197 HydrophobicContact CB-CG 3.81Å; P89-Q197 HydrophobicContact CG-CG 4.17Å; E92-Q197 HydrophobicContact CB-CG 4.23Å; E92-Q197 HydrophobicContact CG-CG 3.93Å; E92-Q197 PolarHBondContact OE2-NE2 2.67Å; P193-Q197 WeakPolarHBondContact O-CB 3.19Å; P193-Q197 WeakPolarHBondContact O-CG 3.28Å; P193-Q197 PolarHBondContact O-N 2.92Å
198V93.1Very high92.5Very high6 Ų644.5 Ų44.54%0.03625%0.25CS..EExtended strand (participates in β ladder)trans-120.6125.5173.6-175.30000108.4F8 G73 P89 Y90 Y91F8-V198 HydrophobicContact CE1-CG2 4.07Å; F8-V198 HydrophobicContact CZ-CG2 4.15Å; G73-V198 VanDerWaalsContact CA-CG1 3.46Å; P89-V198 CarbonylContact C-O 3.54Å; P89-V198 VanDerWaalsContact CA-O 3.28Å; P89-V198 WeakPolarHBondContact CA-O 3.3Å; Y90-V198 WeakPolarHBondContact CD1-O 3.43Å; Y90-V198 HydrophobicContact CE1-CB 4.48Å; Y90-V198 HydrophobicContact CE1-CG1 3.68Å; Y90-V198 HydrophobicContact CE2-CG1 3.9Å; Y90-V198 PolarHBondContact N-O 2.95Å; Y90-V198 WeakPolarHBondContact OH-CG1 3.42Å; Y91-V198 HydrophobicContact CD1-CG2 4.24Å; Y91-V198 PolarHBondContact N-O 3.34Å; Y91-V198 PolarHBondContact O-N 3Å
199S96.5Very high92.7Very high1 Ų145.3 Ų45.31%0.00725%0.252CS..  trans-130.8161.7-175.2-71.30000111.8M74 S87 P89M74-S199 PolarHBondContact O-N 3.43Å; M74-S199 VanDerWaalsContact O-N 3.09Å; S87-S199 VanDerWaalsContact O-CB 3.27Å; S87-S199 WeakPolarHBondContact O-CB 3.13Å; S87-S199 PolarHBondContact O-OG 3.26Å; P89-S199 WeakPolarHBondContact CA-OG 3.31Å
200V98.2Very high92.8Very high2 Ų247.9 Ų47.91%0.01228%0.277CS..  trans-78.9119.3171.7-178.60000108.3I40 A69 I70 I71 F86 S87 Y90 M202 V212 L216I40-V200 HydrophobicContact CD1-CG2 4Å; A69-V200 HydrophobicContact CB-CG1 3.81Å; I70-V200 WeakPolarHBondContact O-CA 3.46Å; I71-V200 HydrophobicContact CD1-CG1 4.25Å; I71-V200 HydrophobicContact CD1-CG2 4.2Å; I71-V200 HydrophobicContact CG1-CB 4.33Å; I71-V200 HydrophobicContact CG1-CG1 3.74Å; I71-V200 HydrophobicContact CG1-CG2 3.93Å; F86-V200 CarbonylContact C-O 3.5Å; F86-V200 VanDerWaalsContact CA-O 3.31Å; F86-V200 WeakPolarHBondContact CA-O 3.19Å; S87-V200 PolarHBondContact N-O 2.9Å; S87-V200 WeakPolarHBondContact OG-CB 3.42Å; S87-V200 PolarHBondContact OG-N 3.22Å; Y90-V200 HydrophobicContact CD1-CG2 3.91Å; Y90-V200 HydrophobicContact CE1-CG2 4.03Å; V200-M202 HydrophobicContact CG1-CG 3.95Å; V200-M202 HydrophobicContact CG1-SD 4.4Å; V200-V212 HydrophobicContact CB-CG1 4.43Å; V200-V212 HydrophobicContact CG2-CG1 4.32Å; V200-L216 HydrophobicContact CG2-CD1 4.38Å
201G98Very high93Very high0 Ų046 Ų460%027%0.268CS..EExtended strand (participates in β ladder)trans-82.6130.2172.500000111A69 I70 D85A69-G201 CarbonylContact C-O 3.35Å; A69-G201 VanDerWaalsContact CA-O 3.3Å; A69-G201 WeakPolarHBondContact CA-O 3.31Å; I70-G201 PolarHBondContact N-O 3.3Å; I70-G201 PolarHBondContact O-N 3.47Å; D85-G201 CarbonylContact O-C 3.54Å; D85-G201 WeakPolarHBondContact O-CA 3.36Å
202M98.3Very high93.5Very high7 Ų743.8 Ų43.83%0.03425%0.254CS..EExtended strand (participates in β ladder)trans-135.9165.2177-52.5-178.667.900110.3A69 V84 D85 V200 D206 D208 M209 V212A69-M202 HydrophobicContact CB-CG 4.3Å; V84-M202 WeakPolarHBondContact CB-O 3.13Å; D85-M202 PolarHBondContact N-O 2.85Å; D85-M202 PolarHBondContact O-N 3.34Å; V200-M202 HydrophobicContact CG1-CG 3.95Å; V200-M202 HydrophobicContact CG1-SD 4.4Å; M202-D206 HydrophobicContact CB-CB 4.12Å; M202-D206 HydrophobicContact CE-CB 4.17Å; M202-D208 HydrophobicContact CE-CB 3.91Å; M202-M209 HydrophobicContact CB-CE 3.62Å; M202-M209 HydrophobicContact CG-CE 3.79Å; M202-M209 HydrophobicContact CG-SD 4.49Å; M202-M209 HydrophobicContact SD-CB 4.48Å; M202-M209 HydrophobicContact SD-CE 3.81Å; M202-M209 HydrophobicContact SD-SD 3.84Å; M202-V212 HydrophobicContact CE-CG2 4.34Å; M202-V212 HydrophobicContact SD-CB 4.42Å; M202-V212 HydrophobicContact SD-CG2 3.96Å
203R96.8Very high94.1Very high68 Ų6840.9 Ų40.926%0.25724%0.239SC..  trans-61155177.4-73.4172.3-68.8-95.4-0110.8L62 I67 D68 G205 D206L62-R203 HydrophobicContact CD1-CG 4.01Å; L62-R203 HydrophobicContact CG-CG 4.07Å; L62-R203 WeakPolarHBondContact O-CG 3.28Å; L62-R203 PolarHBondContact O-NH1 2.94Å; I67-R203 PolarHBondContact O-NH1 2.84Å; D68-R203 IonicContact OD1-CZ 2.85Å; D68-R203 IonicContact OD1-NH1 2.77Å; D68-R203 IonicContact OD1-NH2 2.73Å; D68-R203 PolarHBondContact OD1-NH2 2.87Å; R203-G205 PolarHBondContact O-N 2.94Å; R203-D206 IonicContact CZ-OD2 3.21Å; R203-D206 IonicContact NE-OD2 2.68Å; R203-D206 IonicContact NH2-OD2 2.83Å; R203-D206 PolarHBondContact NH2-OD2 3.47Å; R203-D206 VanDerWaalsContact O-CB 3.31Å; R203-D206 WeakPolarHBondContact O-CB 3.24Å; R203-D206 PolarHBondContact O-N 3.42Å; R203-D206 VanDerWaalsContact O-N 3.11Å
204K95.3Very high94.8Very high114 Ų11443.4 Ų43.450%0.49624%0.243SC..THydrogen-bonded Turntrans-60129176.7-74.2-159.1158.2-176.60111.8R81 K82 D85 D206R81-K204 VanDerWaalsContact O-CE 3.25Å; R81-K204 WeakPolarHBondContact O-CE 3.32Å; R81-K204 PolarHBondContact O-NZ 2.99Å; R81-K204 VanDerWaalsContact O-NZ 3.09Å; K82-K204 VanDerWaalsContact C-NZ 3.35Å; K82-K204 VanDerWaalsContact O-CE 3.23Å; K82-K204 WeakPolarHBondContact O-CE 3.44Å; K82-K204 PolarHBondContact O-NZ 3Å; D85-K204 VanDerWaalsContact OD2-CA 3.31Å; D85-K204 WeakPolarHBondContact OD2-CA 2.88Å; K204-D206 PolarHBondContact O-N 2.88Å
205G94.8Very high95.5Very high63 Ų6341.1 Ų41.165%0.64923%0.232SC*.THydrogen-bonded Turntrans65.623-178.600000114.1D85 R203D85-G205 PolarHBondContact OD2-N 3.21Å; R203-G205 PolarHBondContact O-N 2.94Å
206D96.3Very high96.1Very high18 Ų1840.1 Ų40.110%0.09623%0.227CC..  trans-59.2123.2176.9-162.7-61.1000110M202 R203 K204 D208 M209M202-D206 HydrophobicContact CB-CB 4.12Å; M202-D206 HydrophobicContact CE-CB 4.17Å; R203-D206 IonicContact CZ-OD2 3.21Å; R203-D206 IonicContact NE-OD2 2.68Å; R203-D206 IonicContact NH2-OD2 2.83Å; R203-D206 PolarHBondContact NH2-OD2 3.47Å; R203-D206 VanDerWaalsContact O-CB 3.31Å; R203-D206 WeakPolarHBondContact O-CB 3.24Å; R203-D206 PolarHBondContact O-N 3.42Å; R203-D206 VanDerWaalsContact O-N 3.11Å; K204-D206 PolarHBondContact O-N 2.88Å; D206-D208 PolarHBondContact O-N 3.24Å; D206-D208 VanDerWaalsContact O-N 3.14Å; D206-D208 WeakPolarHBondContact OD1-CB 3.41Å; D206-D208 PolarHBondContact OD1-N 3.25Å; D206-D208 VanDerWaalsContact OD1-N 3.1Å; D206-M209 WeakPolarHBondContact O-CB 3.42Å; D206-M209 PolarHBondContact O-N 3.25Å; D206-M209 VanDerWaalsContact O-N 3.16Å
207P95.5Very high96.6Very high114 Ų11443.1 Ų43.174%0.7425%0.253SS*.THydrogen-bonded Turntrans-64.4-20.2-173.326.7-36.1000113.2M209P207-M209 VanDerWaalsContact C-N 3.32Å
208D96.7Very high96.8Very high33 Ų3346.2 Ų46.218%0.17627%0.271CS..THydrogen-bonded Turntrans-80.9-11.2-178.9-67.1-33.7000112.9M44 R46 M202 D206 A210 Q211 V212M44-D208 HydrophobicContact CE-CB 3.74Å; R46-D208 IonicContact CZ-OD1 3.52Å; R46-D208 IonicContact CZ-OD2 3.59Å; R46-D208 IonicContact NH1-OD2 3.06Å; R46-D208 PolarHBondContact NH1-OD2 3Å; R46-D208 IonicContact NH2-OD1 3.68Å; R46-D208 PolarHBondContact NH2-OD1 3.46Å; R46-D208 IonicContact NH2-OD2 3.76Å; R46-D208 PolarHBondContact NH2-OD2 2.88Å; M202-D208 HydrophobicContact CE-CB 3.91Å; D206-D208 PolarHBondContact O-N 3.24Å; D206-D208 VanDerWaalsContact O-N 3.14Å; D206-D208 WeakPolarHBondContact OD1-CB 3.41Å; D206-D208 PolarHBondContact OD1-N 3.25Å; D206-D208 VanDerWaalsContact OD1-N 3.1Å; D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.39Å; D208-Q211 WeakPolarHBondContact O-CB 3.35Å; D208-Q211 PolarHBondContact O-N 3.44Å; D208-V212 WeakPolarHBondContact O-CG2 3.42Å; D208-V212 PolarHBondContact O-N 3.35Å
209M97.4Very high96.9Very high25 Ų2546.3 Ų46.312%0.12327%0.271CS..Hα-helixtrans-56.2-43.4-174.9-175.662.780.300113D85 S87 M202 D206 P207 Q211 V212 N213D85-M209 HydrophobicContact CB-CE 3.71Å; S87-M209 VanDerWaalsContact CA-SD 3.55Å; M202-M209 HydrophobicContact CB-CE 3.62Å; M202-M209 HydrophobicContact CG-CE 3.79Å; M202-M209 HydrophobicContact CG-SD 4.49Å; M202-M209 HydrophobicContact SD-CB 4.48Å; M202-M209 HydrophobicContact SD-CE 3.81Å; M202-M209 HydrophobicContact SD-SD 3.84Å; D206-M209 WeakPolarHBondContact O-CB 3.42Å; D206-M209 PolarHBondContact O-N 3.25Å; D206-M209 VanDerWaalsContact O-N 3.16Å; P207-M209 VanDerWaalsContact C-N 3.32Å; M209-Q211 VanDerWaalsContact C-N 3.31Å; M209-Q211 PolarHBondContact O-N 2.92Å; M209-V212 PolarHBondContact O-N 3.39Å; M209-N213 PolarHBondContact O-N 3.21Å
210A97Very high96.8Very high73 Ų7349.1 Ų49.160%0.60329%0.291SS*.Hα-helixtrans-63.6-38.8179.400000111.9D208 N213 Q214D208-A210 VanDerWaalsContact C-N 3.33Å; D208-A210 PolarHBondContact O-N 3.39Å; A210-N213 PolarHBondContact O-N 3.42Å; A210-Q214 PolarHBondContact O-N 3.47Å
211Q97.7Very high96.4Very high82 Ų8253.9 Ų53.938%0.38331%0.313SS..Hα-helixtrans-67.6-41.5176.4-172.4179.71700111.1M44 D208 M209 Q214 I215M44-Q211 HydrophobicContact CG-CG 4.32Å; D208-Q211 WeakPolarHBondContact O-CB 3.35Å; D208-Q211 PolarHBondContact O-N 3.44Å; M209-Q211 VanDerWaalsContact C-N 3.31Å; M209-Q211 PolarHBondContact O-N 2.92Å; Q211-Q214 PolarHBondContact O-N 3.24Å; Q211-I215 HydrophobicContact CG-CD1 4.08Å; Q211-I215 WeakPolarHBondContact O-CG1 3.46Å; Q211-I215 PolarHBondContact O-N 3.47Å
212V98.1Very high96Very high4 Ų460.2 Ų60.22%0.02435%0.347CS..Hα-helixtrans-59.9-47.1175.6173.10000110.7I40 M44 V200 M202 D208 M209 Q214 I215 L216I40-V212 HydrophobicContact CD1-CG1 4.32Å; I40-V212 HydrophobicContact CG2-CG2 4.14Å; M44-V212 HydrophobicContact SD-CG2 4.08Å; V200-V212 HydrophobicContact CB-CG1 4.43Å; V200-V212 HydrophobicContact CG2-CG1 4.32Å; M202-V212 HydrophobicContact CE-CG2 4.34Å; M202-V212 HydrophobicContact SD-CB 4.42Å; M202-V212 HydrophobicContact SD-CG2 3.96Å; D208-V212 WeakPolarHBondContact O-CG2 3.42Å; D208-V212 PolarHBondContact O-N 3.35Å; M209-V212 PolarHBondContact O-N 3.39Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 2.88Å; V212-I215 PolarHBondContact O-N 2.9Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 3.44Å
213N98.4Very high95.9Very high35 Ų3562.7 Ų62.719%0.18736%0.358CS..Hα-helixtrans-60.8-42.8177.3-75.7-7000112.3S87 D88 M209 A210 I215 L216 A217S87-N213 WeakPolarHBondContact CA-OD1 3.46Å; S87-N213 WeakPolarHBondContact CB-OD1 3.24Å; D88-N213 PolarHBondContact N-OD1 3.43Å; D88-N213 WeakPolarHBondContact OD2-CB 3.35Å; M209-N213 PolarHBondContact O-N 3.21Å; A210-N213 PolarHBondContact O-N 3.42Å; N213-I215 VanDerWaalsContact C-N 3.32Å; N213-I215 PolarHBondContact O-N 2.7Å; N213-L216 PolarHBondContact O-N 2.79Å; N213-A217 WeakPolarHBondContact O-CB 3.16Å; N213-A217 PolarHBondContact O-N 2.78Å
214Q97.6Very high95.7Very high140 Ų14060.8 Ų60.865%0.65435%0.351SS*.Hα-helixtrans-62.1-41.1176.6-174.1130.120.500111.9A210 Q211 V212 A217 D218A210-Q214 PolarHBondContact O-N 3.47Å; Q211-Q214 PolarHBondContact O-N 3.24Å; V212-Q214 VanDerWaalsContact C-N 3.35Å; V212-Q214 PolarHBondContact O-N 2.88Å; Q214-A217 PolarHBondContact O-N 3.15Å; Q214-D218 PolarHBondContact O-N 3.22Å
215I97.8Very high95.4Very high9 Ų958.3 Ų58.35%0.04635%0.346CS..Hα-helixtrans-63.4-43.4175.5-71.2163.4000111.3I40 K43 M44 Q211 V212 N213 A217 D218I40-I215 HydrophobicContact CG1-CG2 4.02Å; K43-I215 HydrophobicContact CB-CD1 3.66Å; K43-I215 HydrophobicContact CB-CG1 3.78Å; K43-I215 HydrophobicContact CB-CG2 4.24Å; K43-I215 HydrophobicContact CD-CB 4.27Å; K43-I215 HydrophobicContact CD-CG1 3.92Å; K43-I215 HydrophobicContact CD-CG2 3.76Å; K43-I215 HydrophobicContact CG-CG2 4.46Å; M44-I215 HydrophobicContact CG-CD1 3.51Å; Q211-I215 HydrophobicContact CG-CD1 4.08Å; Q211-I215 WeakPolarHBondContact O-CG1 3.46Å; Q211-I215 PolarHBondContact O-N 3.47Å; V212-I215 PolarHBondContact O-N 2.9Å; N213-I215 VanDerWaalsContact C-N 3.32Å; N213-I215 PolarHBondContact O-N 2.7Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.9Å; I215-D218 PolarHBondContact O-N 3.26Å
216L97.4Very high95.3Very high0 Ų061.9 Ų61.90%035%0.345CS..Hα-helixtrans-66.4-33.9179.1-71.2178.7000112.5I40 S87 D88 V200 V212 N213 D218 I219 R224I40-L216 HydrophobicContact CD1-CD2 4.05Å; I40-L216 HydrophobicContact CG1-CD2 4.33Å; S87-L216 WeakPolarHBondContact OG-CD1 3.5Å; D88-L216 VanDerWaalsContact O-CD1 3.32Å; D88-L216 WeakPolarHBondContact O-CD1 3.42Å; V200-L216 HydrophobicContact CG2-CD1 4.38Å; V212-L216 HydrophobicContact CG1-CD1 4.07Å; V212-L216 HydrophobicContact CG1-CG 4.38Å; V212-L216 WeakPolarHBondContact O-CG 3.43Å; V212-L216 PolarHBondContact O-N 3.44Å; N213-L216 PolarHBondContact O-N 2.79Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 3.13Å; L216-I219 HydrophobicContact CD2-CD1 4.2Å; L216-I219 PolarHBondContact O-N 2.85Å; L216-R224 PolarHBondContact O-NH2 3.39Å
217A96.1Very high95.2Very high76 Ų7662 Ų6263%0.62835%0.347SS*.Hα-helixtrans-65.6-29.9176.400000112.8N213 Q214 I215 I219N213-A217 WeakPolarHBondContact O-CB 3.16Å; N213-A217 PolarHBondContact O-N 2.78Å; Q214-A217 PolarHBondContact O-N 3.15Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.9Å; A217-I219 VanDerWaalsContact C-N 3.26Å; A217-I219 PolarHBondContact O-N 2.93Å
218D95.9Very high95Very high101 Ų10156.8 Ų56.854%0.5431%0.313SS..THydrogen-bonded Turntrans-74.2-13.7175.6-69.2-17.5000113.5K43 Q214 I215 L216K43-D218 IonicContact NZ-OD2 2.68Å; K43-D218 PolarHBondContact NZ-OD2 3.04Å; Q214-D218 PolarHBondContact O-N 3.22Å; I215-D218 PolarHBondContact O-N 3.26Å; L216-D218 VanDerWaalsContact C-N 3.28Å; L216-D218 PolarHBondContact O-N 3.13Å
219I95.1Very high94.5Very high7 Ų758.7 Ų58.74%0.03632%0.323CS..SBendtrans-90.8109.9179.9-53.7173.7000108.1M36 K39 L216 A217 E223 R224M36-I219 HydrophobicContact SD-CD1 4.03Å; K39-I219 HydrophobicContact CB-CD1 4.36Å; K39-I219 HydrophobicContact CD-CD1 4.02Å; L216-I219 HydrophobicContact CD2-CD1 4.2Å; L216-I219 PolarHBondContact O-N 2.85Å; A217-I219 VanDerWaalsContact C-N 3.26Å; A217-I219 PolarHBondContact O-N 2.93Å; I219-E223 HydrophobicContact CG2-CB 4.2Å; I219-E223 HydrophobicContact CG2-CG 4.07Å; I219-R224 HydrophobicContact CG2-CG 3.83Å; I219-R224 PolarHBondContact O-NE 3.5Å; I219-R224 VanDerWaalsContact O-NE 3.14Å
220S94Very high94.2Very high60 Ų6061.5 Ų61.542%0.4234%0.335SS..  trans-64.4157.1-176.377.80000112.2D222 E223 R224S220-D222 VanDerWaalsContact C-N 3.29Å; S220-D222 PolarHBondContact O-N 3.37Å; S220-E223 PolarHBondContact O-N 2.84Å; S220-E223 WeakPolarHBondContact OG-CB 3.31Å; S220-E223 PolarHBondContact OG-N 3Å; S220-E223 VanDerWaalsContact OG-N 3.1Å; S220-R224 WeakPolarHBondContact O-CG 3.18Å; S220-R224 PolarHBondContact O-N 3.49Å
221Q89.9Confident94Very high103 Ų10358.2 Ų58.248%0.48131%0.308SS..Hα-helixtrans-62.1-37.9176.9-172.761.922.500112.1E223 R224 V225Q221-E223 VanDerWaalsContact C-N 3.33Å; Q221-E223 PolarHBondContact O-N 3.01Å; Q221-R224 WeakPolarHBondContact O-CB 3.44Å; Q221-R224 PolarHBondContact O-N 3.49Å; Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 3.42Å
222D91Very high93.4Very high133 Ų13355.7 Ų55.771%0.71130%0.297SS*.Hα-helixtrans-63.3-40.8176.5-67.3-18.4000111.2S220 V225 E226S220-D222 VanDerWaalsContact C-N 3.29Å; S220-D222 PolarHBondContact O-N 3.37Å; D222-V225 PolarHBondContact O-N 3.19Å; D222-E226 WeakPolarHBondContact O-CB 3.34Å; D222-E226 PolarHBondContact O-N 2.94Å
223E94.4Very high92.8Very high58 Ų5862.5 Ų62.527%0.27133%0.326SS..Hα-helixtrans-65.7-41.1175.6-174.7-178.9167.800111.5K39 I219 S220 Q221 V225 E226 V227K39-E223 WeakPolarHBondContact CE-OE1 3.41Å; K39-E223 IonicContact NZ-OE1 3.98Å; K39-E223 PolarHBondContact NZ-OE1 3.45Å; I219-E223 HydrophobicContact CG2-CB 4.2Å; I219-E223 HydrophobicContact CG2-CG 4.07Å; S220-E223 PolarHBondContact O-N 2.84Å; S220-E223 WeakPolarHBondContact OG-CB 3.31Å; S220-E223 PolarHBondContact OG-N 3Å; S220-E223 VanDerWaalsContact OG-N 3.1Å; Q221-E223 VanDerWaalsContact C-N 3.33Å; Q221-E223 PolarHBondContact O-N 3.01Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 3.49Å; E223-E226 PolarHBondContact O-N 3.48Å; E223-V227 HydrophobicContact CG-CG2 4.35Å; E223-V227 VanDerWaalsContact O-CG2 3.23Å; E223-V227 WeakPolarHBondContact O-CG2 3.44Å; E223-V227 PolarHBondContact O-N 2.76Å
224R93.1Very high92.2Very high28 Ų2862.4 Ų62.411%0.10633%0.326CS..Hα-helixtrans-59.3-43.5174.8-67.7170.1-172.6-148.9-7.4111.4Y32 P89 L216 I219 S220 Q221 M228Y32-R224 VanDerWaalsContact CE2-O 3.28Å; Y32-R224 WeakPolarHBondContact CE2-O 3.44Å; Y32-R224 WeakPolarHBondContact OH-CB 3.21Å; P89-R224 PolarHBondContact O-NH1 3.41Å; P89-R224 PolarHBondContact O-NH2 2.94Å; L216-R224 PolarHBondContact O-NH2 3.39Å; I219-R224 HydrophobicContact CG2-CG 3.83Å; I219-R224 PolarHBondContact O-NE 3.5Å; I219-R224 VanDerWaalsContact O-NE 3.14Å; S220-R224 WeakPolarHBondContact O-CG 3.18Å; S220-R224 PolarHBondContact O-N 3.49Å; Q221-R224 WeakPolarHBondContact O-CB 3.44Å; Q221-R224 PolarHBondContact O-N 3.49Å; R224-M228 WeakPolarHBondContact O-CB 3.15Å; R224-M228 PolarHBondContact O-N 3.06Å; R224-M228 VanDerWaalsContact O-N 3.08Å
225V88.9Confident91.5Very high63 Ų6356.2 Ų56.238%0.38230%0.297SS..Hα-helixtrans-65.3-46.2176.7172.80000110.8Q221 D222 E223 V227 M228 D229Q221-V225 WeakPolarHBondContact O-CG2 3.24Å; Q221-V225 PolarHBondContact O-N 3.42Å; D222-V225 PolarHBondContact O-N 3.19Å; E223-V225 VanDerWaalsContact C-N 3.31Å; E223-V225 PolarHBondContact O-N 3.49Å; V225-V227 PolarHBondContact O-N 3.19Å; V225-M228 PolarHBondContact O-N 3.14Å; V225-D229 WeakPolarHBondContact O-CB 3.37Å; V225-D229 PolarHBondContact O-N 3.34Å
226E92.6Very high90.2Very high137 Ų13757.7 Ų57.764%0.6431%0.307SS*.Hα-helixtrans-59.9-44.8178.9-175.6177.9-169.800111.9D222 E223 M228 D229 Q230D222-E226 WeakPolarHBondContact O-CB 3.34Å; D222-E226 PolarHBondContact O-N 2.94Å; E223-E226 PolarHBondContact O-N 3.48Å; E226-M228 VanDerWaalsContact C-N 3.32Å; E226-M228 PolarHBondContact O-N 2.97Å; E226-D229 PolarHBondContact O-N 2.89Å; E226-Q230 VanDerWaalsContact O-CB 3.26Å; E226-Q230 WeakPolarHBondContact O-CB 3.36Å; E226-Q230 PolarHBondContact O-N 3.31Å
227V94.4Very high88.3Confident22 Ų2260.1 Ų60.113%0.13333%0.328CS..Hα-helixtrans-66-35.8178.21800000111Y32 Q35 M36 E223 V225 A231Y32-V227 HydrophobicContact CD2-CB 4.07Å; Y32-V227 HydrophobicContact CD2-CG1 3.69Å; Y32-V227 HydrophobicContact CE2-CB 3.94Å; Y32-V227 HydrophobicContact CE2-CG1 3.95Å; Q35-V227 HydrophobicContact CB-CG1 3.67Å; Q35-V227 HydrophobicContact CG-CG1 3.99Å; M36-V227 HydrophobicContact CE-CB 4.02Å; M36-V227 HydrophobicContact CE-CG1 3.73Å; M36-V227 HydrophobicContact CE-CG2 4.09Å; E223-V227 HydrophobicContact CG-CG2 4.35Å; E223-V227 VanDerWaalsContact O-CG2 3.23Å; E223-V227 WeakPolarHBondContact O-CG2 3.44Å; E223-V227 PolarHBondContact O-N 2.76Å; V225-V227 PolarHBondContact O-N 3.19Å; V227-A231 VanDerWaalsContact O-CB 3.25Å; V227-A231 WeakPolarHBondContact O-CB 3.14Å; V227-A231 PolarHBondContact O-N 2.94Å
228M91Very high86.1Confident4 Ų458.6 Ų58.62%0.0231%0.311CS..Hα-helixtrans-68.4-47175-17959.576.400111.6P7 F8 Y32 Y91 P166 R224 V225 E226 Q230 A231 I232P7-M228 HydrophobicContact CB-SD 4.33Å; P7-M228 HydrophobicContact CG-SD 3.7Å; F8-M228 HydrophobicContact CD1-CE 4.04Å; F8-M228 HydrophobicContact CE1-CE 3.61Å; F8-M228 HydrophobicContact CZ-CE 4Å; Y32-M228 HydrophobicContact CD1-CE 3.62Å; Y32-M228 HydrophobicContact CD2-CB 3.86Å; Y32-M228 HydrophobicContact CD2-CE 3.9Å; Y32-M228 HydrophobicContact CD2-SD 4.34Å; Y32-M228 HydrophobicContact CE1-CE 4.06Å; Y32-M228 HydrophobicContact CE2-CB 4Å; Y32-M228 HydrophobicContact CE2-CE 4.36Å; Y32-M228 HydrophobicContact CG-CE 3.53Å; Y32-M228 HydrophobicContact CG-SD 4.24Å; Y91-M228 HydrophobicContact CD1-CE 4.21Å; Y91-M228 HydrophobicContact CD2-CE 3.72Å; Y91-M228 HydrophobicContact CE1-CE 4.04Å; Y91-M228 HydrophobicContact CE2-CB 4Å; Y91-M228 HydrophobicContact CE2-CE 3.53Å; Y91-M228 HydrophobicContact CE2-CG 3.82Å; Y91-M228 HydrophobicContact CG-CE 4.07Å; P166-M228 HydrophobicContact CB-CE 4.27Å; P166-M228 HydrophobicContact CB-SD 3.95Å; P166-M228 HydrophobicContact CG-CE 4.02Å; P166-M228 HydrophobicContact CG-SD 4.12Å; R224-M228 WeakPolarHBondContact O-CB 3.15Å; R224-M228 PolarHBondContact O-N 3.06Å; R224-M228 VanDerWaalsContact O-N 3.08Å; V225-M228 PolarHBondContact O-N 3.14Å; E226-M228 VanDerWaalsContact C-N 3.32Å; E226-M228 PolarHBondContact O-N 2.97Å; M228-Q230 VanDerWaalsContact C-N 3.26Å; M228-Q230 PolarHBondContact O-N 2.88Å; M228-A231 WeakPolarHBondContact O-CB 3.33Å; M228-A231 PolarHBondContact O-N 3Å; M228-A231 VanDerWaalsContact O-N 3.13Å; M228-I232 HydrophobicContact CG-CD1 4.15Å; M228-I232 WeakPolarHBondContact O-CG1 3.32Å; M228-I232 PolarHBondContact O-N 3.39Å; M228-I232 HydrophobicContact SD-CD1 4.46Å; M228-I232 HydrophobicContact SD-CG1 4.48Å
229D88Confident83.5Confident73 Ų7360.3 Ų60.339%0.3932%0.319SS..Hα-helixtrans-61.2-38.5177.1-79-10.2000111.5V225 E226 K233V225-D229 WeakPolarHBondContact O-CB 3.37Å; V225-D229 PolarHBondContact O-N 3.34Å; E226-D229 PolarHBondContact O-N 2.89Å; D229-K233 WeakPolarHBondContact O-CG 3.18Å; D229-K233 PolarHBondContact O-N 3.41Å
230Q90.9Very high81.2Confident83 Ų8361.7 Ų61.739%0.38833%0.326SS..Hα-helixtrans-68.9-43.1174.1-168.558.439.300111E226 M228 I232 K233 D234E226-Q230 VanDerWaalsContact O-CB 3.26Å; E226-Q230 WeakPolarHBondContact O-CB 3.36Å; E226-Q230 PolarHBondContact O-N 3.31Å; M228-Q230 VanDerWaalsContact C-N 3.26Å; M228-Q230 PolarHBondContact O-N 2.88Å; Q230-I232 VanDerWaalsContact C-N 3.28Å; Q230-I232 PolarHBondContact O-N 2.99Å; Q230-K233 PolarHBondContact O-N 3.33Å; Q230-K233 VanDerWaalsContact O-N 3.1Å; Q230-D234 WeakPolarHBondContact CG-OD2 3.43Å; Q230-D234 VanDerWaalsContact NE2-CG 3.26Å; Q230-D234 PolarHBondContact NE2-OD1 2.82Å; Q230-D234 PolarHBondContact NE2-OD2 2.69Å; Q230-D234 WeakPolarHBondContact O-CB 3.35Å; Q230-D234 VanDerWaalsContact O-CG 3.26Å; Q230-D234 PolarHBondContact O-N 3.01Å
231A91.4Very high78.5Confident4 Ų465.5 Ų65.53%0.03335%0.347CS..Hα-helixtrans-58.5-40.217500000111.7P7 W10 V227 M228 K233 D234 Q235P7-A231 HydrophobicContact CB-CB 4.41Å; W10-A231 HydrophobicContact CH2-CB 4.38Å; W10-A231 VanDerWaalsContact CH2-O 3.27Å; W10-A231 WeakPolarHBondContact CH2-O 3.23Å; W10-A231 HydrophobicContact CZ3-CB 4.32Å; W10-A231 WeakPolarHBondContact CZ3-O 3.31Å; V227-A231 VanDerWaalsContact O-CB 3.25Å; V227-A231 WeakPolarHBondContact O-CB 3.14Å; V227-A231 PolarHBondContact O-N 2.94Å; M228-A231 WeakPolarHBondContact O-CB 3.33Å; M228-A231 PolarHBondContact O-N 3Å; M228-A231 VanDerWaalsContact O-N 3.13Å; A231-K233 VanDerWaalsContact C-N 3.32Å; A231-K233 PolarHBondContact O-N 3.12Å; A231-D234 PolarHBondContact O-N 3.29Å; A231-Q235 WeakPolarHBondContact O-CG 3.49Å; A231-Q235 PolarHBondContact O-N 2.92Å
232I85.8Confident75.8Confident30 Ų3068.9 Ų68.915%0.15436%0.363CS..Hα-helixtrans-61.1-40.1176.1-70.8164.2000111.6P7 V169 M228 Q230 Q235P7-I232 HydrophobicContact CB-CG1 3.83Å; P7-I232 HydrophobicContact CG-CG1 3.8Å; V169-I232 HydrophobicContact CG1-CD1 4.11Å; V169-I232 HydrophobicContact CG1-CG2 3.92Å; M228-I232 HydrophobicContact CG-CD1 4.15Å; M228-I232 WeakPolarHBondContact O-CG1 3.32Å; M228-I232 PolarHBondContact O-N 3.39Å; M228-I232 HydrophobicContact SD-CD1 4.46Å; M228-I232 HydrophobicContact SD-CG1 4.48Å; Q230-I232 VanDerWaalsContact C-N 3.28Å; Q230-I232 PolarHBondContact O-N 2.99Å; I232-Q235 WeakPolarHBondContact O-CG 3.36Å; I232-Q235 PolarHBondContact O-NE2 3.4Å
233K85Confident73.2Confident146 Ų14666.4 Ų66.464%0.63536%0.356SS*.Hα-helixtrans-74.7-36.2177-66.7166.3-170.7164.10112.9D229 Q230 A231 Q235D229-K233 WeakPolarHBondContact O-CG 3.18Å; D229-K233 PolarHBondContact O-N 3.41Å; Q230-K233 PolarHBondContact O-N 3.33Å; Q230-K233 VanDerWaalsContact O-N 3.1Å; A231-K233 VanDerWaalsContact C-N 3.32Å; A231-K233 PolarHBondContact O-N 3.12Å; K233-Q235 VanDerWaalsContact C-N 3.31Å
234D87.2Confident70.6Confident33 Ų3369 Ų6918%0.17639%0.387CS..Hα-helixtrans-82.9-8.8-174.4-78.7-9.3000113.8W10 N17 Q230 A231W10-D234 HydrophobicContact CH2-CB 4.19Å; W10-D234 HydrophobicContact CZ2-CB 4.34Å; W10-D234 WeakPolarHBondContact CZ2-O 3.5Å; N17-D234 HydrophobicContact CB-CB 3.96Å; N17-D234 WeakPolarHBondContact CB-OD2 3.37Å; N17-D234 VanDerWaalsContact CG-CG 3.44Å; N17-D234 WeakPolarHBondContact ND2-CB 3.33Å; N17-D234 PolarHBondContact ND2-O 3.14Å; N17-D234 PolarHBondContact ND2-OD1 3.44Å; Q230-D234 WeakPolarHBondContact CG-OD2 3.43Å; Q230-D234 VanDerWaalsContact NE2-CG 3.26Å; Q230-D234 PolarHBondContact NE2-OD1 2.82Å; Q230-D234 PolarHBondContact NE2-OD2 2.69Å; Q230-D234 WeakPolarHBondContact O-CB 3.35Å; Q230-D234 VanDerWaalsContact O-CG 3.26Å; Q230-D234 PolarHBondContact O-N 3.01Å; A231-D234 PolarHBondContact O-N 3.29Å
235Q82.3Confident68.1Low10 Ų1071.2 Ų71.25%0.04741%0.407CS..SBendtrans-45.6146.8167.6-60.7-174.284.700107.3P7 W10 T170 A231 I232 K233 A237 Y442P7-Q235 HydrophobicContact CB-CG 4.31Å; W10-Q235 HydrophobicContact CE3-CG 4.1Å; W10-Q235 HydrophobicContact CH2-CG 4.11Å; W10-Q235 HydrophobicContact CZ3-CG 3.73Å; T170-Q235 PolarHBondContact OG1-NE2 2.91Å; T170-Q235 PolarHBondContact OG1-OE1 2.81Å; A231-Q235 WeakPolarHBondContact O-CG 3.49Å; A231-Q235 PolarHBondContact O-N 2.92Å; I232-Q235 WeakPolarHBondContact O-CG 3.36Å; I232-Q235 PolarHBondContact O-NE2 3.4Å; K233-Q235 VanDerWaalsContact C-N 3.31Å; Q235-A237 PolarHBondContact O-N 2.67Å; Q235-Y442 PolarHBondContact OE1-OH 3.03Å
236P69.2Low66Low41 Ų4172.6 Ų72.627%0.26643%0.434SS..  trans-65.378.8160.20.117.5000104.5W10 Q12 T238 T440W10-P236 VanDerWaalsContact CD1-CD 3.45Å; W10-P236 HydrophobicContact CG-CG 4.35Å; Q12-P236 HydrophobicContact CB-CG 4.37Å; P236-T238 PolarHBondContact O-N 3.31Å; P236-T440 HydrophobicContact CB-CG2 4.19Å; P236-T440 HydrophobicContact CG-CG2 3.86Å
237A57.6Low63.8Low51 Ų5174.4 Ų74.442%0.42144%0.44SS..  trans-45.2134.2148.100000102.9Q235 D239Q235-A237 PolarHBondContact O-N 2.67Å; A237-D239 VanDerWaalsContact C-N 3.27Å; A237-D239 PolarHBondContact O-N 2.93Å
238T49.8Very low62.1Low44 Ų4483.2 Ų83.227%0.2748%0.476SS..  trans-46.3112.215544.80000105P236 E240P236-T238 PolarHBondContact O-N 3.31Å; T238-E240 HydrophobicContact CG2-CG 4.23Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.42Å; T238-E240 PolarHBondContact O-N 2.88Å
239D42.3Very low61Low136 Ų13686.1 Ų86.173%0.72749%0.489SS*.THydrogen-bonded Turntrans-59.630.3168.7-81.3-38.1000110A237A237-D239 VanDerWaalsContact C-N 3.27Å; A237-D239 PolarHBondContact O-N 2.93Å
240E47.7Very low60.9Low36 Ų3687.1 Ų87.117%0.16850%0.495CS..THydrogen-bonded Turntrans-126.30.8-147.4-53.3179.5166.600114.4T238 Q242 R254 Q258T238-E240 HydrophobicContact CG2-CG 4.23Å; T238-E240 WeakPolarHBondContact CG2-OE2 3.42Å; T238-E240 PolarHBondContact O-N 2.88Å; E240-Q242 PolarHBondContact O-N 2.7Å; E240-R254 WeakPolarHBondContact OE1-CD 3.3Å; E240-R254 WeakPolarHBondContact OE2-CD 3.3Å; E240-R254 IonicContact OE2-CZ 3.24Å; E240-R254 IonicContact OE2-NE 3.89Å; E240-R254 IonicContact OE2-NH1 2.74Å; E240-R254 PolarHBondContact OE2-NH1 3.37Å; E240-Q258 PolarHBondContact OE1-NE2 2.74Å; E240-Q258 PolarHBondContact OE1-OE1 3.31Å
241T35.7Very low60.5Low141 Ų14185.1 Ų85.187%0.86549%0.488SS*.THydrogen-bonded Turntrans-73.3-10.5157.8-1.60000111.8
242Q34.2Very low60.4Low174 Ų17488.1 Ų88.181%0.81350%0.501SS*.THydrogen-bonded Turntrans-128.943-178.6-62.2-167800114.6E240 A244E240-Q242 PolarHBondContact O-N 2.7Å; Q242-A244 PolarHBondContact O-N 2.97Å
243S36.7Very low60.6Low81 Ų8189.6 Ų89.657%0.56651%0.511SS*.  trans-64.696.6147.1-82.40000107.8S245S243-S245 PolarHBondContact O-N 2.96Å
244A39.4Very low60.5Low113 Ų11385 Ų8593%0.93449%0.489SS*.SBendtrans-59.39.9176.100000114.5Q242Q242-A244 PolarHBondContact O-N 2.97Å
245S41.1Very low60.5Low73 Ų7383.4 Ų83.451%0.5148%0.481SS..SBendtrans-110.5110.4172.6137.10000106.7S243 K247S243-S245 PolarHBondContact O-N 2.96Å; S245-K247 PolarHBondContact O-N 3.3Å
246G43.3Very low60.9Low92 Ų9286.7 Ų86.795%0.94850%0.499SS*.SBendtrans-58.514.5-18000000116.8
247K47.8Very low61.8Low176 Ų17691.8 Ų91.877%0.76552%0.516SS*.SBendtrans-91.8105.6164-73.1-179177178.60108.7S245 E249S245-K247 PolarHBondContact O-N 3.3Å; K247-E249 PolarHBondContact O-N 3.25Å
248K57Low63Low207 Ų20792.2 Ų92.290%0.951%0.51SS*.  trans-56.898.4167-70.1-174.5177.6-175.30108.3N250K248-N250 PolarHBondContact O-N 2.98Å
249E69.7Low64.8Low64 Ų6490.7 Ų90.730%0.29950%0.5SS..  trans-58.5136.4173.3-179172-150.500108.8K247 V251 V253 R254 K257K247-E249 PolarHBondContact O-N 3.25Å; E249-V251 PolarHBondContact O-N 3.26Å; E249-V253 HydrophobicContact CG-CB 4.44Å; E249-V253 WeakPolarHBondContact OE1-CG1 3.07Å; E249-R254 PolarHBondContact O-NH2 2.88Å; E249-K257 WeakPolarHBondContact OE1-CD 2.95Å; E249-K257 WeakPolarHBondContact OE1-CE 3.5Å; E249-K257 IonicContact OE1-NZ 3.35Å; E249-K257 PolarHBondContact OE1-NZ 3.27Å
250N84.4Confident67.1Low95 Ų9585.6 Ų85.651%0.50848%0.48SS..  trans-56.2125.5176.5-177-29.9000109.6K248 F252 V253 R254K248-N250 PolarHBondContact O-N 2.98Å; N250-F252 PolarHBondContact O-N 3.46Å; N250-F252 VanDerWaalsContact O-N 3.17Å; N250-F252 VanDerWaalsContact OD1-CD2 3.3Å; N250-F252 WeakPolarHBondContact OD1-CD2 3.47Å; N250-F252 PolarHBondContact OD1-N 2.95Å; N250-V253 HydrophobicContact CB-CG2 4.13Å; N250-V253 WeakPolarHBondContact O-CB 3.31Å; N250-V253 PolarHBondContact O-N 3.27Å; N250-R254 PolarHBondContact O-N 3.23Å
251V83.8Confident69.1Low40 Ų4087 Ų8724%0.24249%0.494CS..Hα-helixtrans-50.3-41.2-178.5173.80000112.3E249 V253 R254 I255 M443 Q446E249-V251 PolarHBondContact O-N 3.26Å; V251-V253 PolarHBondContact O-N 2.84Å; V251-R254 WeakPolarHBondContact O-CB 3.48Å; V251-R254 PolarHBondContact O-N 2.91Å; V251-I255 HydrophobicContact CG1-CD1 3.85Å; V251-I255 HydrophobicContact CG1-CG1 4.41Å; V251-I255 WeakPolarHBondContact O-CG1 3.29Å; V251-I255 PolarHBondContact O-N 3Å; V251-M443 HydrophobicContact CB-CE 4.46Å; V251-M443 HydrophobicContact CG1-CE 3.4Å; V251-M443 HydrophobicContact CG1-SD 3.36Å; V251-M443 WeakPolarHBondContact CG1-SD 3.35Å; V251-M443 HydrophobicContact CG2-CE 4.22Å; V251-Q446 HydrophobicContact CG1-CB 4.16Å; V251-Q446 HydrophobicContact CG1-CG 3.79Å
252F89.2Confident71.6Confident67 Ų6781.1 Ų81.129%0.29446%0.456SS..Hα-helixtrans-63.3-42.3179.5-67-80.1000112.4N250 R254 I255 L256 Q446 F449 I450N250-F252 PolarHBondContact O-N 3.46Å; N250-F252 VanDerWaalsContact O-N 3.17Å; N250-F252 VanDerWaalsContact OD1-CD2 3.3Å; N250-F252 WeakPolarHBondContact OD1-CD2 3.47Å; N250-F252 PolarHBondContact OD1-N 2.95Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.37Å; F252-I255 PolarHBondContact O-N 3.08Å; F252-L256 WeakPolarHBondContact O-CG 3.19Å; F252-L256 PolarHBondContact O-N 3.32Å; F252-L256 VanDerWaalsContact O-N 3.08Å; F252-Q446 HydrophobicContact CD1-CB 4.18Å; F252-Q446 HydrophobicContact CE1-CB 3.88Å; F252-Q446 HydrophobicContact CE1-CG 4.17Å; F252-Q446 HydrophobicContact CZ-CB 4.37Å; F252-Q446 HydrophobicContact CZ-CG 4.15Å; F252-F449 HydrophobicContact CD1-CD1 4.26Å; F252-F449 HydrophobicContact CE1-CB 4.23Å; F252-F449 AromaticContact CE1-CD1 3.58Å; F252-F449 HydrophobicContact CE1-CD1 3.58Å; F252-F449 HydrophobicContact CE1-CE1 4.36Å; F252-F449 HydrophobicContact CE1-CG 4.2Å; F252-F449 HydrophobicContact CZ-CD1 4.24Å; F252-I450 HydrophobicContact CD1-CD1 4.12Å; F252-I450 HydrophobicContact CD1-CG1 3.97Å
253V88.4Confident74.4Confident61 Ų6173 Ų7337%0.3742%0.419SS..Hα-helixtrans-66.2-38.2177.8179.50000110.3E249 N250 V251 L256 K257E249-V253 HydrophobicContact CG-CB 4.44Å; E249-V253 WeakPolarHBondContact OE1-CG1 3.07Å; N250-V253 HydrophobicContact CB-CG2 4.13Å; N250-V253 WeakPolarHBondContact O-CB 3.31Å; N250-V253 PolarHBondContact O-N 3.27Å; V251-V253 PolarHBondContact O-N 2.84Å; V253-L256 PolarHBondContact O-N 2.83Å; V253-K257 HydrophobicContact CG1-CD 4.22Å; V253-K257 HydrophobicContact CG1-CG 4.44Å; V253-K257 WeakPolarHBondContact O-CG 3.48Å; V253-K257 PolarHBondContact O-N 3.14Å
254R84.5Confident77.2Confident49 Ų4975.2 Ų75.219%0.18542%0.423CS..Hα-helixtrans-61.8-50.4177.2-162.5-176.2-48.2175.3-0.9112E240 E249 N250 V251 F252 L256 K257 Q258E240-R254 WeakPolarHBondContact OE1-CD 3.3Å; E240-R254 WeakPolarHBondContact OE2-CD 3.3Å; E240-R254 IonicContact OE2-CZ 3.24Å; E240-R254 IonicContact OE2-NE 3.89Å; E240-R254 IonicContact OE2-NH1 2.74Å; E240-R254 PolarHBondContact OE2-NH1 3.37Å; E249-R254 PolarHBondContact O-NH2 2.88Å; N250-R254 PolarHBondContact O-N 3.23Å; V251-R254 WeakPolarHBondContact O-CB 3.48Å; V251-R254 PolarHBondContact O-N 2.91Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 3.37Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.29Å; R254-K257 PolarHBondContact O-N 3.21Å; R254-Q258 WeakPolarHBondContact O-CB 3.28Å; R254-Q258 WeakPolarHBondContact O-CG 3.39Å; R254-Q258 PolarHBondContact O-N 2.85Å
255I87.3Confident79.7Confident1 Ų175.1 Ų75.11%0.00540%0.399CS..Hα-helixtrans-59.9-41.9177.7-64.4168.2000110.7V251 F252 Q258 N259 F263 M443 Q446 I450V251-I255 HydrophobicContact CG1-CD1 3.85Å; V251-I255 HydrophobicContact CG1-CG1 4.41Å; V251-I255 WeakPolarHBondContact O-CG1 3.29Å; V251-I255 PolarHBondContact O-N 3Å; F252-I255 PolarHBondContact O-N 3.08Å; I255-Q258 PolarHBondContact O-N 2.7Å; I255-N259 WeakPolarHBondContact O-CB 3.36Å; I255-N259 PolarHBondContact O-N 3.4Å; I255-N259 PolarHBondContact O-ND2 3.48Å; I255-F263 HydrophobicContact CG2-CE2 4.1Å; I255-F263 HydrophobicContact CG2-CZ 4.21Å; I255-M443 HydrophobicContact CD1-CB 3.87Å; I255-M443 HydrophobicContact CD1-SD 4.17Å; I255-M443 HydrophobicContact CG1-SD 4.5Å; I255-Q446 HydrophobicContact CD1-CB 3.43Å; I255-Q446 VanDerWaalsContact CD1-CB 3.43Å; I255-Q446 HydrophobicContact CD1-CG 4.46Å; I255-I450 HydrophobicContact CB-CD1 3.68Å; I255-I450 HydrophobicContact CD1-CD1 4.28Å; I255-I450 HydrophobicContact CG2-CD1 3.55Å
256L90.4Very high82.2Confident79 Ų7971.7 Ų71.741%0.41437%0.374SS..Hα-helixtrans-64.9-45.1176.8-77.9170.4000112.9F252 V253 R254 Q258 G260 F263 I450F252-L256 WeakPolarHBondContact O-CG 3.19Å; F252-L256 PolarHBondContact O-N 3.32Å; F252-L256 VanDerWaalsContact O-N 3.08Å; V253-L256 PolarHBondContact O-N 2.83Å; R254-L256 VanDerWaalsContact C-N 3.3Å; R254-L256 PolarHBondContact O-N 3.29Å; L256-Q258 VanDerWaalsContact C-N 3.29Å; L256-Q258 PolarHBondContact O-N 2.81Å; L256-G260 WeakPolarHBondContact O-CA 3.18Å; L256-G260 PolarHBondContact O-N 3.36Å; L256-F263 HydrophobicContact CD2-CD2 4.44Å; L256-I450 HydrophobicContact CD2-CG2 3.62Å; L256-I450 HydrophobicContact CG-CD1 4.15Å; L256-I450 HydrophobicContact CG-CG2 4.3Å
257K87Confident84.8Confident147 Ų14768.1 Ų68.164%0.63934%0.335SS*.Hα-helixtrans-63.4-39.1177.3-78.3178.9178.61720111.6E249 V253 R254E249-K257 WeakPolarHBondContact OE1-CD 2.95Å; E249-K257 WeakPolarHBondContact OE1-CE 3.5Å; E249-K257 IonicContact OE1-NZ 3.35Å; E249-K257 PolarHBondContact OE1-NZ 3.27Å; V253-K257 HydrophobicContact CG1-CD 4.22Å; V253-K257 HydrophobicContact CG1-CG 4.44Å; V253-K257 WeakPolarHBondContact O-CG 3.48Å; V253-K257 PolarHBondContact O-N 3.14Å; R254-K257 PolarHBondContact O-N 3.21Å
258Q83.7Confident87.2Confident60 Ų6061.6 Ų61.628%0.2832%0.317SS..Hα-helixtrans-73.8-48.5-179.3-72.8175.6-11.600111.7K13 E240 R254 I255 L256K13-Q258 WeakPolarHBondContact CE-O 3.38Å; K13-Q258 VanDerWaalsContact NZ-C 3.29Å; K13-Q258 VanDerWaalsContact NZ-CA 3.31Å; K13-Q258 PolarHBondContact NZ-O 3.42Å; E240-Q258 PolarHBondContact OE1-NE2 2.74Å; E240-Q258 PolarHBondContact OE1-OE1 3.31Å; R254-Q258 WeakPolarHBondContact O-CB 3.28Å; R254-Q258 WeakPolarHBondContact O-CG 3.39Å; R254-Q258 PolarHBondContact O-N 2.85Å; I255-Q258 PolarHBondContact O-N 2.7Å; L256-Q258 VanDerWaalsContact C-N 3.29Å; L256-Q258 PolarHBondContact O-N 2.81Å
259N88.2Confident89.1Confident12 Ų1253.1 Ų53.16%0.06428%0.281CS..Hα-helixtrans-1034.1-170.7-60.8-68.7000113.2I255 S261 M262 F263 A437I255-N259 WeakPolarHBondContact O-CB 3.36Å; I255-N259 PolarHBondContact O-N 3.4Å; I255-N259 PolarHBondContact O-ND2 3.48Å; N259-S261 VanDerWaalsContact C-N 3.31Å; N259-S261 PolarHBondContact O-N 3.06Å; N259-M262 CarbonylContact O-C 3.54Å; N259-M262 WeakPolarHBondContact O-CA 3.16Å; N259-M262 WeakPolarHBondContact O-CB 3.06Å; N259-M262 PolarHBondContact O-N 3.24Å; N259-F263 HydrophobicContact CB-CD1 4.29Å; N259-F263 HydrophobicContact CB-CD2 4.11Å; N259-F263 HydrophobicContact CB-CE1 3.84Å; N259-F263 HydrophobicContact CB-CE2 3.65Å; N259-F263 HydrophobicContact CB-CG 4.4Å; N259-F263 HydrophobicContact CB-CZ 3.49Å; N259-F263 VanDerWaalsContact CB-CZ 3.49Å; N259-F263 WeakPolarHBondContact O-CG 3.12Å; N259-F263 PolarHBondContact O-N 2.97Å; N259-A437 HydrophobicContact CB-CB 4.07Å
260G89.8Confident90.4Very high29 Ų2950.1 Ų50.130%0.29927%0.267SS..Hα-helixtrans-57.8-38.2-17300000114.2L256 M262 L264L256-G260 WeakPolarHBondContact O-CA 3.18Å; L256-G260 PolarHBondContact O-N 3.36Å; G260-M262 VanDerWaalsContact C-N 3.34Å; G260-L264 WeakPolarHBondContact O-CB 3.29Å; G260-L264 PolarHBondContact O-N 3.24Å
261S89.4Confident91.1Very high66 Ų6648.2 Ų48.246%0.46226%0.257SS..Hα-helixtrans-68.4-34.8176.163.50000112.6N259 R265N259-S261 VanDerWaalsContact C-N 3.31Å; N259-S261 PolarHBondContact O-N 3.06Å; S261-R265 VanDerWaalsContact O-CG 3.28Å; S261-R265 WeakPolarHBondContact O-CG 3.45Å; S261-R265 PolarHBondContact O-N 2.98Å
262M87.4Confident91.8Very high17 Ų1750 Ų508%0.08427%0.265CS..Hα-helixtrans-71.1-47.8176.3-176.5-170.2-8900110.4T11 A27 N259 G260 L264 R265 G266 Q433 A437T11-M262 HydrophobicContact CG2-CE 3.99Å; A27-M262 HydrophobicContact CB-CE 4.18Å; N259-M262 CarbonylContact O-C 3.54Å; N259-M262 WeakPolarHBondContact O-CA 3.16Å; N259-M262 WeakPolarHBondContact O-CB 3.06Å; N259-M262 PolarHBondContact O-N 3.24Å; G260-M262 VanDerWaalsContact C-N 3.34Å; M262-L264 PolarHBondContact O-N 2.99Å; M262-R265 PolarHBondContact O-N 3.03Å; M262-G266 PolarHBondContact O-N 2.84Å; M262-Q433 HydrophobicContact CG-CB 3.91Å; M262-Q433 VanDerWaalsContact CG-CD 3.49Å; M262-Q433 HydrophobicContact CG-CG 3.97Å; M262-Q433 HydrophobicContact SD-CB 4.35Å; M262-Q433 PolarHBondContact SD-OE1 3Å; M262-A437 HydrophobicContact SD-CB 4.4Å
263F94.6Very high92.3Very high5 Ų546.9 Ų46.92%0.02225%0.251CS..Hα-helixtrans-62.1-41.7175.8-63.3-20.5000112.2I255 L256 N259 R265 G266 T267 L430 Q433 A437 T447 I450 I451 I454I255-F263 HydrophobicContact CG2-CE2 4.1Å; I255-F263 HydrophobicContact CG2-CZ 4.21Å; L256-F263 HydrophobicContact CD2-CD2 4.44Å; N259-F263 HydrophobicContact CB-CD1 4.29Å; N259-F263 HydrophobicContact CB-CD2 4.11Å; N259-F263 HydrophobicContact CB-CE1 3.84Å; N259-F263 HydrophobicContact CB-CE2 3.65Å; N259-F263 HydrophobicContact CB-CG 4.4Å; N259-F263 HydrophobicContact CB-CZ 3.49Å; N259-F263 VanDerWaalsContact CB-CZ 3.49Å; N259-F263 WeakPolarHBondContact O-CG 3.12Å; N259-F263 PolarHBondContact O-N 2.97Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 2.9Å; F263-G266 PolarHBondContact O-N 3.32Å; F263-T267 WeakPolarHBondContact O-CB 3.36Å; F263-T267 PolarHBondContact O-N 3.17Å; F263-T267 PolarHBondContact O-OG1 3.36Å; F263-L430 HydrophobicContact CB-CD1 4.32Å; F263-Q433 HydrophobicContact CD1-CB 4.42Å; F263-A437 HydrophobicContact CE1-CB 3.62Å; F263-A437 HydrophobicContact CZ-CB 3.74Å; F263-T447 HydrophobicContact CZ-CG2 3.95Å; F263-I450 HydrophobicContact CD2-CG2 4.25Å; F263-I450 HydrophobicContact CE2-CG2 3.98Å; F263-I451 HydrophobicContact CD1-CD1 3.88Å; F263-I451 HydrophobicContact CE1-CD1 3.88Å; F263-I451 HydrophobicContact CG-CD1 4.32Å; F263-I451 HydrophobicContact CZ-CD1 4.3Å; F263-I454 HydrophobicContact CB-CD1 4.3Å; F263-I454 HydrophobicContact CD2-CD1 4.38Å
264L94.8Very high92.8Very high127 Ų12744 Ų4467%0.66523%0.233SC*.Hα-helixtrans-61.5-39.6177.1-177.762.5000112G260 M262 G268G260-L264 WeakPolarHBondContact O-CB 3.29Å; G260-L264 PolarHBondContact O-N 3.24Å; M262-L264 PolarHBondContact O-N 2.99Å; L264-G268 PolarHBondContact O-N 3.31Å
265R91.1Very high93.4Very high111 Ų11145.7 Ų45.742%0.41925%0.245SC..Hα-helixtrans-67.9-44.5174.9-71.5170.5-167.6158.12.8111.5S261 M262 F263 T267 G268 M269S261-R265 VanDerWaalsContact O-CG 3.28Å; S261-R265 WeakPolarHBondContact O-CG 3.45Å; S261-R265 PolarHBondContact O-N 2.98Å; M262-R265 PolarHBondContact O-N 3.03Å; F263-R265 VanDerWaalsContact C-N 3.31Å; F263-R265 PolarHBondContact O-N 2.9Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 2.75Å; R265-G268 PolarHBondContact O-N 2.67Å; R265-G268 VanDerWaalsContact O-N 3.17Å; R265-M269 PolarHBondContact O-N 3.4Å
266G95.2Very high94Very high0 Ų048.5 Ų48.50%026%0.262CS..Hα-helixtrans-57.5-46.1174.400000111.8M262 F263 G268 M269 T270 L430M262-G266 PolarHBondContact O-N 2.84Å; F263-G266 PolarHBondContact O-N 3.32Å; G266-G268 PolarHBondContact O-N 2.84Å; G266-M269 PolarHBondContact O-N 3.01Å; G266-T270 WeakPolarHBondContact O-CB 3.49Å; G266-T270 PolarHBondContact O-N 2.75Å; G266-T270 PolarHBondContact O-OG1 2.87Å; G266-T270 VanDerWaalsContact O-OG1 3.13Å; G266-L430 PolarHBondContact O-N 3.27Å
267T98Very high94.3Very high18 Ų1844.7 Ų44.711%0.1124%0.242CC..Hα-helixtrans-59.4-45.1172.8-64.60000112.2F263 R265 M269 T270 L271 L430 L458F263-T267 WeakPolarHBondContact O-CB 3.36Å; F263-T267 PolarHBondContact O-N 3.17Å; F263-T267 PolarHBondContact O-OG1 3.36Å; R265-T267 VanDerWaalsContact C-N 3.33Å; R265-T267 PolarHBondContact O-N 2.75Å; T267-M269 VanDerWaalsContact C-N 3.3Å; T267-M269 PolarHBondContact O-N 3.45Å; T267-T270 WeakPolarHBondContact O-CB 3.39Å; T267-T270 PolarHBondContact O-N 3.27Å; T267-L271 HydrophobicContact CG2-CD1 4.11Å; T267-L271 WeakPolarHBondContact O-CG 3.39Å; T267-L271 PolarHBondContact O-N 3.21Å; T267-L430 WeakPolarHBondContact OG1-CD1 3.48Å; T267-L458 HydrophobicContact CG2-CD1 3.82Å; T267-L458 HydrophobicContact CG2-CD2 3.8Å; T267-L458 HydrophobicContact CG2-CG 4.35Å
268G97.4Very high94.9Very high39 Ų3938.1 Ų38.140%0.40221%0.214SC..Hα-helixtrans-60-41.6176.400000112.2L264 R265 G266 L271 L272L264-G268 PolarHBondContact O-N 3.31Å; R265-G268 PolarHBondContact O-N 2.67Å; R265-G268 VanDerWaalsContact O-N 3.17Å; G266-G268 PolarHBondContact O-N 2.84Å; G268-L271 PolarHBondContact O-N 3.28Å; G268-L272 VanDerWaalsContact O-CB 3.32Å; G268-L272 WeakPolarHBondContact O-CB 3.43Å; G268-L272 PolarHBondContact O-N 3.4Å
269M96.2Very high95.6Very high29 Ų2939 Ų3914%0.14322%0.224CC..Hα-helixtrans-66.6-47.3175.8-173.160.1174.800111.8R265 G266 T267 L271 L272 L273 T347 V427 E429R265-M269 PolarHBondContact O-N 3.4Å; G266-M269 PolarHBondContact O-N 3.01Å; T267-M269 VanDerWaalsContact C-N 3.3Å; T267-M269 PolarHBondContact O-N 3.45Å; M269-L271 VanDerWaalsContact C-N 3.3Å; M269-L271 PolarHBondContact O-N 3.5Å; M269-L272 PolarHBondContact O-N 2.92Å; M269-L272 HydrophobicContact SD-CD2 4.34Å; M269-L273 HydrophobicContact CE-CD1 4.03Å; M269-L273 HydrophobicContact CE-CD2 3.89Å; M269-L273 HydrophobicContact CE-CG 4.01Å; M269-L273 HydrophobicContact CG-CD1 4.23Å; M269-L273 HydrophobicContact CG-CG 4.43Å; M269-L273 WeakPolarHBondContact O-CB 3.24Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.3Å; M269-L273 PolarHBondContact O-N 3.39Å; M269-L273 HydrophobicContact SD-CG 4.29Å; M269-T347 HydrophobicContact CE-CG2 3.67Å; M269-T347 WeakPolarHBondContact CE-OG1 3.34Å; M269-V427 HydrophobicContact CE-CG1 3.82Å; M269-V427 HydrophobicContact CG-CG1 4.46Å; M269-E429 HydrophobicContact CG-CB 4.43Å
270T98.7Very high96.1Very high0 Ų041.1 Ų41.10%024%0.237CC..Hα-helixtrans-51.6-48.8173.1-68.80000111.3G266 T267 A274 I416 T419 L430 Y455G266-T270 WeakPolarHBondContact O-CB 3.49Å; G266-T270 PolarHBondContact O-N 2.75Å; G266-T270 PolarHBondContact O-OG1 2.87Å; G266-T270 VanDerWaalsContact O-OG1 3.13Å; T267-T270 WeakPolarHBondContact O-CB 3.39Å; T267-T270 PolarHBondContact O-N 3.27Å; T270-A274 VanDerWaalsContact O-CB 3.29Å; T270-A274 WeakPolarHBondContact O-CB 3.25Å; T270-A274 PolarHBondContact O-N 3.41Å; T270-I416 HydrophobicContact CG2-CG2 4.12Å; T270-I416 WeakPolarHBondContact CG2-O 3.49Å; T270-T419 WeakPolarHBondContact CG2-OG1 3.13Å; T270-L430 WeakPolarHBondContact OG1-CB 3.21Å; T270-L430 PolarHBondContact OG1-N 2.76Å; T270-L430 VanDerWaalsContact OG1-N 3.15Å; T270-Y455 HydrophobicContact CG2-CE1 4.12Å
271L98.6Very high96.5Very high55 Ų5539.7 Ų39.729%0.28822%0.223SC..Hα-helixtrans-68.5-40.2179.3-71.9174.2000112.6T267 G268 M269 A274 I275 I416 L458T267-L271 HydrophobicContact CG2-CD1 4.11Å; T267-L271 WeakPolarHBondContact O-CG 3.39Å; T267-L271 PolarHBondContact O-N 3.21Å; G268-L271 PolarHBondContact O-N 3.28Å; M269-L271 VanDerWaalsContact C-N 3.3Å; M269-L271 PolarHBondContact O-N 3.5Å; L271-A274 PolarHBondContact O-N 3.3Å; L271-I275 HydrophobicContact CB-CD1 4.41Å; L271-I275 VanDerWaalsContact O-CB 3.28Å; L271-I275 WeakPolarHBondContact O-CB 3.29Å; L271-I275 WeakPolarHBondContact O-CD1 3.14Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 2.78Å; L271-I416 HydrophobicContact CD2-CD1 4.14Å; L271-I416 HydrophobicContact CD2-CG1 4.29Å; L271-L458 HydrophobicContact CD1-CD2 4.08Å; L271-L458 HydrophobicContact CD2-CD2 4.31Å; L271-L458 HydrophobicContact CG-CD2 4.41Å
272L98.4Very high96.9Very high79 Ų7937.4 Ų37.441%0.41421%0.206SC..Hα-helixtrans-59.2-49.1175.9177.9148.9000110.7G268 M269 V276 L351G268-L272 VanDerWaalsContact O-CB 3.32Å; G268-L272 WeakPolarHBondContact O-CB 3.43Å; G268-L272 PolarHBondContact O-N 3.4Å; M269-L272 PolarHBondContact O-N 2.92Å; M269-L272 HydrophobicContact SD-CD2 4.34Å; L272-V276 VanDerWaalsContact O-CB 3.29Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 VanDerWaalsContact O-CG2 3.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.39Å; L272-V276 PolarHBondContact O-N 3.24Å; L272-L351 HydrophobicContact CD2-CD1 4.42Å; L272-L351 HydrophobicContact CD2-CD2 3.98Å; L272-L351 HydrophobicContact CD2-CG 4.46Å
273L98.6Very high97.4Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-63.5-45.3179.4-67.1177.4000111.5M269 G277 A350 L351 T419 L422 V427M269-L273 HydrophobicContact CE-CD1 4.03Å; M269-L273 HydrophobicContact CE-CD2 3.89Å; M269-L273 HydrophobicContact CE-CG 4.01Å; M269-L273 HydrophobicContact CG-CD1 4.23Å; M269-L273 HydrophobicContact CG-CG 4.43Å; M269-L273 WeakPolarHBondContact O-CB 3.24Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.3Å; M269-L273 PolarHBondContact O-N 3.39Å; M269-L273 HydrophobicContact SD-CG 4.29Å; L273-G277 VanDerWaalsContact O-CA 3.3Å; L273-G277 WeakPolarHBondContact O-CA 3.4Å; L273-G277 PolarHBondContact O-N 3Å; L273-A350 HydrophobicContact CD1-CB 4.05Å; L273-A350 HydrophobicContact CD2-CB 3.6Å; L273-A350 HydrophobicContact CG-CB 4.48Å; L273-L351 HydrophobicContact CD2-CD2 3.78Å; L273-L351 HydrophobicContact CD2-CG 3.79Å; L273-T419 HydrophobicContact CB-CG2 3.67Å; L273-T419 HydrophobicContact CD1-CG2 4.1Å; L273-L422 HydrophobicContact CD1-CD1 3.74Å; L273-V427 HydrophobicContact CD1-CG1 3.84Å
274A98.6Very high97.6Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-66.2-47.1-179.400000112T270 L271 T278 L412 N415 I416T270-A274 VanDerWaalsContact O-CB 3.29Å; T270-A274 WeakPolarHBondContact O-CB 3.25Å; T270-A274 PolarHBondContact O-N 3.41Å; L271-A274 PolarHBondContact O-N 3.3Å; A274-T278 VanDerWaalsContact O-CB 3.26Å; A274-T278 WeakPolarHBondContact O-CB 3.43Å; A274-T278 PolarHBondContact O-N 3.28Å; A274-T278 PolarHBondContact O-OG1 3.3Å; A274-L412 HydrophobicContact CB-CD1 3.99Å; A274-N415 HydrophobicContact CB-CB 3.93Å; A274-I416 HydrophobicContact CB-CB 4.42Å; A274-I416 HydrophobicContact CB-CG1 3.67Å
275I98.5Very high97.7Very high85 Ų8537.1 Ų37.144%0.43621%0.205SC..Hα-helixtrans-68.2-49.1-177.6-66.9167.4000111.1L271 T279 L412L271-I275 HydrophobicContact CB-CD1 4.41Å; L271-I275 VanDerWaalsContact O-CB 3.28Å; L271-I275 WeakPolarHBondContact O-CB 3.29Å; L271-I275 WeakPolarHBondContact O-CD1 3.14Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 2.78Å; I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.04Å; I275-T279 PolarHBondContact O-OG1 2.61Å; I275-L412 HydrophobicContact CG1-CD1 3.97Å
276V98.7Very high97.9Very high60 Ų6033.1 Ų33.136%0.36419%0.192SC..Hα-helixtrans-67.3-44179.9178.50000109.9L272 T278 T279 V280 L351L272-V276 VanDerWaalsContact O-CB 3.29Å; L272-V276 WeakPolarHBondContact O-CB 3.26Å; L272-V276 VanDerWaalsContact O-CG2 3.26Å; L272-V276 WeakPolarHBondContact O-CG2 3.39Å; L272-V276 PolarHBondContact O-N 3.24Å; V276-T278 PolarHBondContact O-N 2.91Å; V276-T279 PolarHBondContact O-N 2.92Å; V276-V280 HydrophobicContact CG1-CG2 4.11Å; V276-V280 WeakPolarHBondContact O-CB 3.4Å; V276-V280 WeakPolarHBondContact O-CG2 3.3Å; V276-V280 PolarHBondContact O-N 3.31Å; V276-L351 HydrophobicContact CB-CD2 3.67Å; V276-L351 HydrophobicContact CG1-CD2 3.66Å; V276-L351 HydrophobicContact CG2-CD2 4.44Å
277G98.5Very high97.9Very high0 Ų039.4 Ų39.40%022%0.224CC..Hα-helixtrans-59.4-46.4177.200000112.7L273 G281L273-G277 VanDerWaalsContact O-CA 3.3Å; L273-G277 WeakPolarHBondContact O-CA 3.4Å; L273-G277 PolarHBondContact O-N 3Å; G277-G281 WeakPolarHBondContact O-CA 3.37Å; G277-G281 PolarHBondContact O-N 2.75Å
278T98.3Very high97.8Very high8 Ų839 Ų395%0.04922%0.222CC..Hα-helixtrans-64.3-43.3174.4-60.90000111.6A274 V276 G281 T282 T408 L412 N415A274-T278 VanDerWaalsContact O-CB 3.26Å; A274-T278 WeakPolarHBondContact O-CB 3.43Å; A274-T278 PolarHBondContact O-N 3.28Å; A274-T278 PolarHBondContact O-OG1 3.3Å; V276-T278 PolarHBondContact O-N 2.91Å; T278-G281 PolarHBondContact O-N 2.85Å; T278-T282 WeakPolarHBondContact O-CB 3.48Å; T278-T282 PolarHBondContact O-N 2.9Å; T278-T282 PolarHBondContact O-OG1 2.82Å; T278-T408 HydrophobicContact CG2-CG2 3.92Å; T278-L412 HydrophobicContact CG2-CB 4.19Å; T278-L412 WeakPolarHBondContact OG1-CA 3.39Å; T278-N415 PolarHBondContact OG1-ND2 3.08Å
279T98Very high97.5Very high79 Ų7937.1 Ų37.149%0.48520%0.203SC..Hα-helixtrans-62.8-51.7-179.1-57.40000111.5I275 V276 T282 L283I275-T279 WeakPolarHBondContact O-CB 3.41Å; I275-T279 PolarHBondContact O-N 3.04Å; I275-T279 PolarHBondContact O-OG1 2.61Å; V276-T279 PolarHBondContact O-N 2.92Å; T279-T282 PolarHBondContact O-N 3.42Å; T279-L283 WeakPolarHBondContact O-CG 3.36Å; T279-L283 PolarHBondContact O-N 3.47Å; T279-L283 VanDerWaalsContact O-N 3.08Å
280V98.7Very high97.2Very high56 Ų5637.4 Ų37.434%0.33921%0.206SC..Hα-helixtrans-66.6-40.6179177.80000110.4V276 T282 L283 I284V276-V280 HydrophobicContact CG1-CG2 4.11Å; V276-V280 WeakPolarHBondContact O-CB 3.4Å; V276-V280 WeakPolarHBondContact O-CG2 3.3Å; V276-V280 PolarHBondContact O-N 3.31Å; V280-T282 PolarHBondContact O-N 3.48Å; V280-L283 WeakPolarHBondContact O-CB 3.21Å; V280-L283 PolarHBondContact O-N 2.64Å; V280-I284 HydrophobicContact CG1-CD1 3.98Å; V280-I284 HydrophobicContact CG1-CG1 4.44Å; V280-I284 WeakPolarHBondContact O-CG1 3.12Å; V280-I284 PolarHBondContact O-N 3.42Å
281G98.6Very high96.9Very high0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-59.5-44174.700000112.6G277 T278 L283 I284 G285 S355 G359G277-G281 WeakPolarHBondContact O-CA 3.37Å; G277-G281 PolarHBondContact O-N 2.75Å; T278-G281 PolarHBondContact O-N 2.85Å; G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.33Å; G281-I284 PolarHBondContact O-N 2.72Å; G281-G285 PolarHBondContact O-N 3.13Å; G281-S355 VanDerWaalsContact CA-O 3.31Å; G281-S355 WeakPolarHBondContact CA-O 3.47Å; G281-G359 VanDerWaalsContact O-CA 3.3Å; G281-G359 WeakPolarHBondContact O-CA 3.25Å
282T97.8Very high96.2Very high18 Ų1839.7 Ų39.711%0.1121%0.212CC..Hα-helixtrans-63.2-39.2174.3-60.10000111.7T278 T279 V280 G285 L286 M362 T408T278-T282 WeakPolarHBondContact O-CB 3.48Å; T278-T282 PolarHBondContact O-N 2.9Å; T278-T282 PolarHBondContact O-OG1 2.82Å; T279-T282 PolarHBondContact O-N 3.42Å; V280-T282 PolarHBondContact O-N 3.48Å; T282-G285 PolarHBondContact O-N 2.96Å; T282-L286 HydrophobicContact CG2-CD1 4.04Å; T282-L286 HydrophobicContact CG2-CG 4.4Å; T282-L286 WeakPolarHBondContact O-CB 3.42Å; T282-L286 VanDerWaalsContact O-CG 3.29Å; T282-L286 WeakPolarHBondContact O-CG 3.17Å; T282-L286 PolarHBondContact O-N 2.92Å; T282-M362 HydrophobicContact CG2-SD 4.47Å; T282-M362 PolarHBondContact OG1-SD 2.86Å; T282-M362 VanDerWaalsContact OG1-SD 3.42Å; T282-T408 HydrophobicContact CG2-CG2 4.32Å; T282-T408 VanDerWaalsContact OG1-CG2 3.28Å; T282-T408 WeakPolarHBondContact OG1-CG2 3.13Å
283L97.9Very high95.6Very high99 Ų9937.3 Ų37.352%0.51820%0.201SC..Hα-helixtrans-62.9-45.2174.2-67.3174.7000111.8T279 V280 G281 G285 L286 L287T279-L283 WeakPolarHBondContact O-CG 3.36Å; T279-L283 PolarHBondContact O-N 3.47Å; T279-L283 VanDerWaalsContact O-N 3.08Å; V280-L283 WeakPolarHBondContact O-CB 3.21Å; V280-L283 PolarHBondContact O-N 2.64Å; G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.33Å; L283-G285 VanDerWaalsContact C-N 3.33Å; L283-G285 PolarHBondContact O-N 3.33Å; L283-L286 PolarHBondContact O-N 3.3Å; L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.75Å
284I98.2Very high95Very high44 Ų4440.5 Ų40.523%0.22622%0.217CC..Hα-helixtrans-58.5-47.8173.8-67.3166.1000109.8V280 G281 L286 L287 V288 Y316V280-I284 HydrophobicContact CG1-CD1 3.98Å; V280-I284 HydrophobicContact CG1-CG1 4.44Å; V280-I284 WeakPolarHBondContact O-CG1 3.12Å; V280-I284 PolarHBondContact O-N 3.42Å; G281-I284 PolarHBondContact O-N 2.72Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.49Å; I284-L287 PolarHBondContact O-N 3.25Å; I284-V288 HydrophobicContact CG2-CG2 4.17Å; I284-V288 WeakPolarHBondContact O-CB 3.25Å; I284-V288 VanDerWaalsContact O-CG2 3.29Å; I284-V288 WeakPolarHBondContact O-CG2 3.2Å; I284-V288 PolarHBondContact O-N 2.88Å; I284-Y316 WeakPolarHBondContact CG2-OH 3.37Å
285G97.7Very high94.2Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-60.4-40.5179.400000113.5G281 T282 L283 G289 S363G281-G285 PolarHBondContact O-N 3.13Å; T282-G285 PolarHBondContact O-N 2.96Å; L283-G285 VanDerWaalsContact C-N 3.33Å; L283-G285 PolarHBondContact O-N 3.33Å; G285-G289 WeakPolarHBondContact O-CA 3.31Å; G285-G289 PolarHBondContact O-N 3.38Å; G285-S363 WeakPolarHBondContact CA-OG 3.46Å
286L96.1Very high93.4Very high27 Ų2745.9 Ų45.914%0.14125%0.247CC..Hα-helixtrans-64.1-47.1174.9-75.9165.3000111.4T282 L283 I284 V290 V366 L397 L401 I404T282-L286 HydrophobicContact CG2-CD1 4.04Å; T282-L286 HydrophobicContact CG2-CG 4.4Å; T282-L286 WeakPolarHBondContact O-CB 3.42Å; T282-L286 VanDerWaalsContact O-CG 3.29Å; T282-L286 WeakPolarHBondContact O-CG 3.17Å; T282-L286 PolarHBondContact O-N 2.92Å; L283-L286 PolarHBondContact O-N 3.3Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 3.49Å; L286-V290 WeakPolarHBondContact O-CB 3.05Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 3.33Å; L286-V366 HydrophobicContact CD2-CG1 4.15Å; L286-V366 HydrophobicContact CD2-CG2 3.82Å; L286-V366 HydrophobicContact CG-CG2 4.09Å; L286-L397 HydrophobicContact CD2-CD2 4.33Å; L286-L401 HydrophobicContact CD1-CD2 3.7Å; L286-L401 HydrophobicContact CD2-CD2 3.89Å; L286-L401 HydrophobicContact CG-CD2 4.44Å; L286-I404 HydrophobicContact CD2-CD1 4.08Å
287L95.2Very high92.4Very high131 Ų13144.5 Ų44.569%0.68624%0.24SC*.Hα-helixtrans-62.8-46.7179.3-68.6173.2000111.8L283 I284 F291L283-L287 VanDerWaalsContact O-CG 3.29Å; L283-L287 WeakPolarHBondContact O-CG 3.24Å; L283-L287 PolarHBondContact O-N 2.75Å; I284-L287 PolarHBondContact O-N 3.25Å; L287-F291 WeakPolarHBondContact O-CB 3.38Å; L287-F291 PolarHBondContact O-N 3.03Å
288V95.4Very high91.5Very high10 Ų1051.8 Ų51.86%0.06128%0.279CS..Hα-helixtrans-68.7-42.4179.6172.80000111.4I284 F291 R292 L313 I317 S363I284-V288 HydrophobicContact CG2-CG2 4.17Å; I284-V288 WeakPolarHBondContact O-CB 3.25Å; I284-V288 VanDerWaalsContact O-CG2 3.29Å; I284-V288 WeakPolarHBondContact O-CG2 3.2Å; I284-V288 PolarHBondContact O-N 2.88Å; V288-F291 PolarHBondContact O-N 2.99Å; V288-R292 WeakPolarHBondContact O-CG 3.48Å; V288-R292 PolarHBondContact O-N 3.07Å; V288-R292 VanDerWaalsContact O-N 3.12Å; V288-L313 HydrophobicContact CG1-CB 4.44Å; V288-L313 HydrophobicContact CG1-CD1 4.23Å; V288-L313 HydrophobicContact CG1-CD2 4.42Å; V288-L313 HydrophobicContact CG2-CD1 4.43Å; V288-L313 HydrophobicContact CG2-CD2 3.81Å; V288-I317 HydrophobicContact CG1-CD1 3.97Å; V288-S363 WeakPolarHBondContact CB-OG 3.49Å; V288-S363 WeakPolarHBondContact CG1-OG 3.29Å
289G91.1Very high90.8Very high0 Ų055.5 Ų55.50%030%0.299CS..Hα-helixtrans-60.9-46.4177.100000112.3G285 R292G285-G289 WeakPolarHBondContact O-CA 3.31Å; G285-G289 PolarHBondContact O-N 3.38Å; G289-R292 PolarHBondContact O-N 2.86Å
290V90.1Very high90Very high34 Ų3456.1 Ų56.121%0.20631%0.306CS..Hα-helixtrans-62.7-47.5174.7172.40000110.9L286 R292 T293 I294 M392 L397L286-V290 WeakPolarHBondContact O-CB 3.05Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 3.33Å; V290-R292 PolarHBondContact O-N 2.85Å; V290-T293 PolarHBondContact O-N 3.41Å; V290-T293 PolarHBondContact O-OG1 3.07Å; V290-I294 PolarHBondContact O-N 3.3Å; V290-M392 HydrophobicContact CG1-CG 4.47Å; V290-L397 HydrophobicContact CG2-CD1 4.06Å; V290-L397 HydrophobicContact CG2-CD2 3.61Å; V290-L397 HydrophobicContact CG2-CG 4.22Å
291F91Very high89.5Confident41 Ų4157 Ų5718%0.1832%0.32CS..Hα-helixtrans-54.7-41.8-178.4175.2-92.8000112.4L287 V288 T293 I294 Q306 F309 L313L287-F291 WeakPolarHBondContact O-CB 3.38Å; L287-F291 PolarHBondContact O-N 3.03Å; V288-F291 PolarHBondContact O-N 2.99Å; F291-T293 PolarHBondContact O-N 2.72Å; F291-I294 HydrophobicContact CD2-CD1 3.85Å; F291-I294 HydrophobicContact CE2-CD1 4.44Å; F291-I294 HydrophobicContact CG-CD1 4.5Å; F291-I294 WeakPolarHBondContact O-CB 3.32Å; F291-I294 WeakPolarHBondContact O-CG1 3.32Å; F291-I294 PolarHBondContact O-N 2.82Å; F291-Q306 HydrophobicContact CE2-CG 4.3Å; F291-Q306 HydrophobicContact CZ-CB 4.47Å; F291-Q306 HydrophobicContact CZ-CG 3.74Å; F291-F309 HydrophobicContact CD1-CD1 4.03Å; F291-F309 HydrophobicContact CD1-CE1 4.25Å; F291-F309 AromaticContact CD2-CD1 3.98Å; F291-F309 HydrophobicContact CD2-CD1 3.98Å; F291-F309 HydrophobicContact CD2-CE1 4.06Å; F291-F309 AromaticContact CE1-CD1 3.63Å; F291-F309 HydrophobicContact CE1-CD1 3.63Å; F291-F309 HydrophobicContact CE1-CE1 4.31Å; F291-F309 AromaticContact CE2-CD1 3.58Å; F291-F309 HydrophobicContact CE2-CD1 3.58Å; F291-F309 HydrophobicContact CE2-CE1 4.12Å; F291-F309 HydrophobicContact CG-CD1 4.21Å; F291-F309 HydrophobicContact CG-CE1 4.15Å; F291-F309 HydrophobicContact CZ-CB 4.19Å; F291-F309 AromaticContact CZ-CD1 3.42Å; F291-F309 HydrophobicContact CZ-CD1 3.42Å; F291-F309 VanDerWaalsContact CZ-CD1 3.42Å; F291-F309 HydrophobicContact CZ-CE1 4.28Å; F291-F309 HydrophobicContact CZ-CG 4.28Å; F291-L313 HydrophobicContact CD1-CD1 3.43Å; F291-L313 VanDerWaalsContact CD1-CD1 3.43Å; F291-L313 HydrophobicContact CE1-CD1 3.95Å; F291-L313 HydrophobicContact CG-CD1 4.11Å
292R85.6Confident88.8Confident63 Ų6363.5 Ų63.524%0.23835%0.348CS..THydrogen-bonded Turntrans-67.6-15.2179.6-74.8176.5166.6-172.6-3.4114.7V288 G289 V290 N314 E364V288-R292 WeakPolarHBondContact O-CG 3.48Å; V288-R292 PolarHBondContact O-N 3.07Å; V288-R292 VanDerWaalsContact O-N 3.12Å; G289-R292 PolarHBondContact O-N 2.86Å; V290-R292 PolarHBondContact O-N 2.85Å; R292-N314 PolarHBondContact NE-OD1 2.67Å; R292-N314 PolarHBondContact NH2-OD1 2.82Å; R292-E364 IonicContact CZ-OE1 2.93Å; R292-E364 IonicContact NH1-OE1 3.66Å; R292-E364 PolarHBondContact NH1-OE1 2.88Å
293T85.8Confident88.2Confident29 Ų2966.4 Ų66.418%0.17836%0.357CS..THydrogen-bonded Turntrans-97.9-2.6177.464.10000113.4V290 F291 I370 H388 M392V290-T293 PolarHBondContact O-N 3.41Å; V290-T293 PolarHBondContact O-OG1 3.07Å; F291-T293 PolarHBondContact O-N 2.72Å; T293-I370 HydrophobicContact CG2-CD1 3.99Å; T293-I370 HydrophobicContact CG2-CG2 4.03Å; T293-H388 PolarHBondContact O-CE1 3.47Å; T293-M392 WeakPolarHBondContact OG1-CE 3.5Å
294I85.8Confident87.8Confident67 Ų6763.3 Ų63.334%0.34435%0.349SS..SBendtrans-66.3126178.1-63.3175.8000109V290 F291 Q306V290-I294 PolarHBondContact O-N 3.3Å; F291-I294 HydrophobicContact CD2-CD1 3.85Å; F291-I294 HydrophobicContact CE2-CD1 4.44Å; F291-I294 HydrophobicContact CG-CD1 4.5Å; F291-I294 WeakPolarHBondContact O-CB 3.32Å; F291-I294 WeakPolarHBondContact O-CG1 3.32Å; F291-I294 PolarHBondContact O-N 2.82Å; I294-Q306 PolarHBondContact O-NE2 3.49Å
295P81.2Confident87.4Confident81 Ų8167.2 Ų67.253%0.52637%0.37SS..PPolyproline II helixtrans-61.5151.2177.124.8-33.4000111.5S297 H388P295-S297 PolarHBondContact O-N 3.13Å; P295-H388 HydrophobicContact CG-CB 4.46Å
296E81.2Confident87Confident117 Ų11768.9 Ų68.955%0.54738%0.378SS..PPolyproline II helixtrans-59.9128.7179.3-67.9-157.9157.100110.7R303 K307E296-R303 IonicContact OE2-NE 3.94Å; E296-K307 WeakPolarHBondContact OE1-CE 3.31Å; E296-K307 IonicContact OE1-NZ 3.13Å; E296-K307 PolarHBondContact OE1-NZ 2.95Å
297S79Confident86.7Confident31 Ų3173.3 Ų73.322%0.21740%0.396CS..PPolyproline II helixtrans-65.8140.8177.3166.90000112.1P295 N299 K302 R303P295-S297 PolarHBondContact O-N 3.13Å; S297-N299 VanDerWaalsContact C-N 3.3Å; S297-N299 PolarHBondContact O-N 2.85Å; S297-N299 PolarHBondContact OG-N 2.89Å; S297-N299 PolarHBondContact OG-O 2.75Å; S297-K302 VanDerWaalsContact OG-CB 3.3Å; S297-K302 WeakPolarHBondContact OG-CB 3.45Å; S297-R303 PolarHBondContact O-NE 3.44Å; S297-R303 PolarHBondContact O-NH2 2.91Å
298D77.9Confident86.6Confident152 Ų15271.3 Ų71.381%0.81339%0.389SS*.SBendtrans-63.4-35173-66.5-35.9000112.7S300 R303D298-S300 PolarHBondContact O-N 3.06Å; D298-R303 PolarHBondContact O-NH2 3.44Å
299N85Confident86.5Confident87 Ų8775.4 Ų75.447%0.46541%0.406SS..SBendtrans-72119.3176.3-175.6-26.5000111.2S297 A301 K302 R303S297-N299 VanDerWaalsContact C-N 3.3Å; S297-N299 PolarHBondContact O-N 2.85Å; S297-N299 PolarHBondContact OG-N 2.89Å; S297-N299 PolarHBondContact OG-O 2.75Å; N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.25Å; N299-A301 PolarHBondContact OD1-N 2.68Å; N299-K302 HydrophobicContact CB-CB 4.3Å; N299-K302 HydrophobicContact CB-CD 4.32Å; N299-K302 HydrophobicContact CB-CG 4.32Å; N299-K302 PolarHBondContact O-N 3.2Å; N299-K302 VanDerWaalsContact O-N 3.13Å; N299-R303 PolarHBondContact O-N 2.94Å
300S81.4Confident86.6Confident91 Ų9176 Ų7664%0.63641%0.412SS*.Hα-helixtrans-52.7-38.9-179.6-54.30000114D298 R303 G304D298-S300 PolarHBondContact O-N 3.06Å; S300-R303 PolarHBondContact O-N 2.85Å; S300-G304 PolarHBondContact O-N 3.34Å
301A86.6Confident86.8Confident75 Ų7582.6 Ų82.662%0.6243%0.433SS*.Hα-helixtrans-68.1-44.4179.500000111.8N299 R303 G304 L305N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.25Å; N299-A301 PolarHBondContact OD1-N 2.68Å; A301-R303 VanDerWaalsContact C-N 3.34Å; A301-G304 PolarHBondContact O-N 2.82Å; A301-L305 PolarHBondContact O-N 2.84Å
302K85.2Confident87.1Confident136 Ų13684.9 Ų84.959%0.59145%0.447SS*.Hα-helixtrans-66-37.5176.4-70.5-175.2179.91800111.6S297 N299 L305 Q306S297-K302 VanDerWaalsContact OG-CB 3.3Å; S297-K302 WeakPolarHBondContact OG-CB 3.45Å; N299-K302 HydrophobicContact CB-CB 4.3Å; N299-K302 HydrophobicContact CB-CD 4.32Å; N299-K302 HydrophobicContact CB-CG 4.32Å; N299-K302 PolarHBondContact O-N 3.2Å; N299-K302 VanDerWaalsContact O-N 3.13Å; K302-L305 PolarHBondContact O-N 2.94Å; K302-Q306 VanDerWaalsContact O-CB 3.3Å; K302-Q306 WeakPolarHBondContact O-CB 3.43Å; K302-Q306 PolarHBondContact O-N 3.22Å
303R85.5Confident87.6Confident79 Ų7982.8 Ų82.830%0.29844%0.441SS..Hα-helixtrans-62.8-44174.3-166.6-176.9-54.6151.15.1111.6E296 S297 D298 N299 S300 A301 Q306 K307E296-R303 IonicContact OE2-NE 3.94Å; S297-R303 PolarHBondContact O-NE 3.44Å; S297-R303 PolarHBondContact O-NH2 2.91Å; D298-R303 PolarHBondContact O-NH2 3.44Å; N299-R303 PolarHBondContact O-N 2.94Å; S300-R303 PolarHBondContact O-N 2.85Å; A301-R303 VanDerWaalsContact C-N 3.34Å; R303-Q306 PolarHBondContact O-N 2.78Å; R303-K307 WeakPolarHBondContact O-CG 3.39Å; R303-K307 PolarHBondContact O-N 3.2Å
304G88.7Confident88Confident35 Ų3584.4 Ų84.436%0.36145%0.448SS..Hα-helixtrans-58.1-50.3174.200000112S300 A301 Q306 K307 V308S300-G304 PolarHBondContact O-N 3.34Å; A301-G304 PolarHBondContact O-N 2.82Å; G304-Q306 PolarHBondContact O-N 2.77Å; G304-K307 PolarHBondContact O-N 3.42Å; G304-V308 WeakPolarHBondContact O-CG2 3.5Å; G304-V308 PolarHBondContact O-N 2.88Å
305L89.5Confident88.5Confident125 Ų12582.5 Ų82.565%0.65444%0.442SS*.Hα-helixtrans-61.4-42.9178.1-175.466000112.5A301 K302 K307 V308 F309A301-L305 PolarHBondContact O-N 2.84Å; K302-L305 PolarHBondContact O-N 2.94Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.76Å; L305-V308 PolarHBondContact O-N 3.31Å; L305-F309 WeakPolarHBondContact O-CB 3.41Å; L305-F309 PolarHBondContact O-N 2.81Å
306Q89.8Confident89.2Confident36 Ų3680.6 Ų80.617%0.16843%0.425CS..Hα-helixtrans-60.9-41177.4-174.1-1784.900111.6F291 I294 K302 R303 G304 G310F291-Q306 HydrophobicContact CE2-CG 4.3Å; F291-Q306 HydrophobicContact CZ-CB 4.47Å; F291-Q306 HydrophobicContact CZ-CG 3.74Å; I294-Q306 PolarHBondContact O-NE2 3.49Å; K302-Q306 VanDerWaalsContact O-CB 3.3Å; K302-Q306 WeakPolarHBondContact O-CB 3.43Å; K302-Q306 PolarHBondContact O-N 3.22Å; R303-Q306 PolarHBondContact O-N 2.78Å; G304-Q306 PolarHBondContact O-N 2.77Å; Q306-G310 PolarHBondContact O-N 3.16Å
307K90.2Very high90Very high120 Ų12075.1 Ų75.152%0.52240%0.399SS..Hα-helixtrans-66.7-44.5177.1-74.2-176.7-179.7-171.30112.3E296 R303 G304 L305 G310 W311E296-K307 WeakPolarHBondContact OE1-CE 3.31Å; E296-K307 IonicContact OE1-NZ 3.13Å; E296-K307 PolarHBondContact OE1-NZ 2.95Å; R303-K307 WeakPolarHBondContact O-CG 3.39Å; R303-K307 PolarHBondContact O-N 3.2Å; G304-K307 PolarHBondContact O-N 3.42Å; L305-K307 VanDerWaalsContact C-N 3.32Å; L305-K307 PolarHBondContact O-N 2.76Å; K307-G310 PolarHBondContact O-N 3.45Å; K307-W311 WeakPolarHBondContact O-CB 3.44Å; K307-W311 PolarHBondContact O-N 2.67Å
308V93.2Very high90.8Very high89 Ų8980.2 Ų80.254%0.53942%0.419SS..Hα-helixtrans-63.1-47177.1174.70000110.7G304 L305 W311 L312G304-V308 WeakPolarHBondContact O-CG2 3.5Å; G304-V308 PolarHBondContact O-N 2.88Å; L305-V308 PolarHBondContact O-N 3.31Å; V308-W311 WeakPolarHBondContact O-CB 3.38Å; V308-W311 PolarHBondContact O-N 2.97Å; V308-L312 HydrophobicContact CG1-CD1 4.45Å; V308-L312 WeakPolarHBondContact O-CG 3.43Å; V308-L312 PolarHBondContact O-N 3.47Å
309F93.5Very high91.7Very high95 Ų9577.5 Ų77.542%0.41740%0.404SS..Hα-helixtrans-66.3-40178.8-170.2-118.8000112F291 L305 W311 L312 L313F291-F309 HydrophobicContact CD1-CD1 4.03Å; F291-F309 HydrophobicContact CD1-CE1 4.25Å; F291-F309 AromaticContact CD2-CD1 3.98Å; F291-F309 HydrophobicContact CD2-CD1 3.98Å; F291-F309 HydrophobicContact CD2-CE1 4.06Å; F291-F309 AromaticContact CE1-CD1 3.63Å; F291-F309 HydrophobicContact CE1-CD1 3.63Å; F291-F309 HydrophobicContact CE1-CE1 4.31Å; F291-F309 AromaticContact CE2-CD1 3.58Å; F291-F309 HydrophobicContact CE2-CD1 3.58Å; F291-F309 HydrophobicContact CE2-CE1 4.12Å; F291-F309 HydrophobicContact CG-CD1 4.21Å; F291-F309 HydrophobicContact CG-CE1 4.15Å; F291-F309 HydrophobicContact CZ-CB 4.19Å; F291-F309 AromaticContact CZ-CD1 3.42Å; F291-F309 HydrophobicContact CZ-CD1 3.42Å; F291-F309 VanDerWaalsContact CZ-CD1 3.42Å; F291-F309 HydrophobicContact CZ-CE1 4.28Å; F291-F309 HydrophobicContact CZ-CG 4.28Å; L305-F309 WeakPolarHBondContact O-CB 3.41Å; L305-F309 PolarHBondContact O-N 2.81Å; F309-W311 VanDerWaalsContact C-N 3.31Å; F309-W311 PolarHBondContact O-N 3.37Å; F309-L312 PolarHBondContact O-N 2.83Å; F309-L313 HydrophobicContact CD1-CD1 3.88Å; F309-L313 HydrophobicContact CD1-CG 4.43Å; F309-L313 HydrophobicContact CE1-CD1 3.57Å; F309-L313 HydrophobicContact CE1-CG 4.18Å; F309-L313 HydrophobicContact CE2-CG 4.49Å; F309-L313 HydrophobicContact CZ-CD1 4.03Å; F309-L313 HydrophobicContact CZ-CD2 4.2Å; F309-L313 HydrophobicContact CZ-CG 4.2Å; F309-L313 WeakPolarHBondContact O-CG 3.28Å; F309-L313 PolarHBondContact O-N 2.78Å
310G92.9Very high92.3Very high13 Ų1374.8 Ų74.813%0.13439%0.388CS..Hα-helixtrans-59.7-40.8172.800000112.7Q306 K307 L313 N314Q306-G310 PolarHBondContact O-N 3.16Å; K307-G310 PolarHBondContact O-N 3.45Å; G310-L313 PolarHBondContact O-N 3.26Å; G310-N314 PolarHBondContact O-N 2.99Å; G310-N314 PolarHBondContact O-OD1 3.29Å
311W94.3Very high93Very high173 Ų17375.9 Ų75.966%0.65538%0.378SS*.Hα-helixtrans-63.2-45.8174.4179.582.8000112.2K307 V308 F309 L313 N314 A315K307-W311 WeakPolarHBondContact O-CB 3.44Å; K307-W311 PolarHBondContact O-N 2.67Å; V308-W311 WeakPolarHBondContact O-CB 3.38Å; V308-W311 PolarHBondContact O-N 2.97Å; F309-W311 VanDerWaalsContact C-N 3.31Å; F309-W311 PolarHBondContact O-N 3.37Å; W311-L313 VanDerWaalsContact C-N 3.32Å; W311-L313 PolarHBondContact O-N 2.66Å; W311-N314 PolarHBondContact O-N 3.28Å; W311-A315 PolarHBondContact O-N 2.93Å
312L96.2Very high93.4Very high89 Ų8975.3 Ų75.347%0.46638%0.38SS..Hα-helixtrans-60.1-41.9176.3-71.3172.5000112.1V308 F309 A315 Y316V308-L312 HydrophobicContact CG1-CD1 4.45Å; V308-L312 WeakPolarHBondContact O-CG 3.43Å; V308-L312 PolarHBondContact O-N 3.47Å; F309-L312 PolarHBondContact O-N 2.83Å; L312-A315 PolarHBondContact O-N 3.46Å; L312-Y316 WeakPolarHBondContact O-CB 3.44Å; L312-Y316 PolarHBondContact O-N 2.66Å
313L95.8Very high94Very high19 Ų1971.5 Ų71.510%0.09937%0.368CS..Hα-helixtrans-65.4-40175.8-69.9176.8000111.8V288 F291 F309 G310 W311 Y316 I317V288-L313 HydrophobicContact CG1-CB 4.44Å; V288-L313 HydrophobicContact CG1-CD1 4.23Å; V288-L313 HydrophobicContact CG1-CD2 4.42Å; V288-L313 HydrophobicContact CG2-CD1 4.43Å; V288-L313 HydrophobicContact CG2-CD2 3.81Å; F291-L313 HydrophobicContact CD1-CD1 3.43Å; F291-L313 VanDerWaalsContact CD1-CD1 3.43Å; F291-L313 HydrophobicContact CE1-CD1 3.95Å; F291-L313 HydrophobicContact CG-CD1 4.11Å; F309-L313 HydrophobicContact CD1-CD1 3.88Å; F309-L313 HydrophobicContact CD1-CG 4.43Å; F309-L313 HydrophobicContact CE1-CD1 3.57Å; F309-L313 HydrophobicContact CE1-CG 4.18Å; F309-L313 HydrophobicContact CE2-CG 4.49Å; F309-L313 HydrophobicContact CZ-CD1 4.03Å; F309-L313 HydrophobicContact CZ-CD2 4.2Å; F309-L313 HydrophobicContact CZ-CG 4.2Å; F309-L313 WeakPolarHBondContact O-CG 3.28Å; F309-L313 PolarHBondContact O-N 2.78Å; G310-L313 PolarHBondContact O-N 3.26Å; W311-L313 VanDerWaalsContact C-N 3.32Å; W311-L313 PolarHBondContact O-N 2.66Å; L313-Y316 HydrophobicContact CD2-CD1 4.46Å; L313-Y316 PolarHBondContact O-N 2.86Å; L313-I317 WeakPolarHBondContact O-CG1 3.34Å; L313-I317 PolarHBondContact O-N 3.22Å
314N94.6Very high94.5Very high63 Ų6371.5 Ų71.534%0.33738%0.378SS..Hα-helixtrans-62-47.9174.7-67.7-9.2000111.5R292 G310 W311 Y316 I317 E318R292-N314 PolarHBondContact NE-OD1 2.67Å; R292-N314 PolarHBondContact NH2-OD1 2.82Å; G310-N314 PolarHBondContact O-N 2.99Å; G310-N314 PolarHBondContact O-OD1 3.29Å; W311-N314 PolarHBondContact O-N 3.28Å; N314-Y316 VanDerWaalsContact C-N 3.34Å; N314-Y316 PolarHBondContact O-N 2.95Å; N314-I317 PolarHBondContact O-N 2.86Å; N314-I317 VanDerWaalsContact O-N 3.17Å; N314-E318 WeakPolarHBondContact O-CB 3.18Å; N314-E318 VanDerWaalsContact O-CG 3.31Å; N314-E318 WeakPolarHBondContact O-CG 3.26Å; N314-E318 PolarHBondContact O-N 3.1Å
315A96.6Very high94.8Very high26 Ų2670.7 Ų70.722%0.21537%0.365CS..Hα-helixtrans-58.4-45.7176.500000111.7W311 L312 I317 E318 I319W311-A315 PolarHBondContact O-N 2.93Å; L312-A315 PolarHBondContact O-N 3.46Å; A315-I317 PolarHBondContact O-N 3.16Å; A315-E318 PolarHBondContact O-N 3.32Å; A315-I319 WeakPolarHBondContact O-CB 3.23Å; A315-I319 WeakPolarHBondContact O-CD1 3.42Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3.3Å
316Y96.8Very high95.1Very high41 Ų4168.4 Ų68.416%0.16135%0.353CS..Hα-helixtrans-54.3-53.7172.7149.7-109000111.5I284 L312 L313 N314 E318 I319 F320 I356 G359 A360I284-Y316 WeakPolarHBondContact CG2-OH 3.37Å; L312-Y316 WeakPolarHBondContact O-CB 3.44Å; L312-Y316 PolarHBondContact O-N 2.66Å; L313-Y316 HydrophobicContact CD2-CD1 4.46Å; L313-Y316 PolarHBondContact O-N 2.86Å; N314-Y316 VanDerWaalsContact C-N 3.34Å; N314-Y316 PolarHBondContact O-N 2.95Å; Y316-E318 VanDerWaalsContact C-N 3.34Å; Y316-E318 PolarHBondContact O-N 3.16Å; Y316-I319 PolarHBondContact O-N 2.84Å; Y316-F320 AromaticContact CD2-CD2 3.38Å; Y316-F320 HydrophobicContact CD2-CD2 3.38Å; Y316-F320 AromaticContact CD2-CE2 3.78Å; Y316-F320 HydrophobicContact CD2-CE2 3.78Å; Y316-F320 HydrophobicContact CD2-CG 4.21Å; Y316-F320 HydrophobicContact CE2-CB 4.48Å; Y316-F320 AromaticContact CE2-CD2 3.72Å; Y316-F320 HydrophobicContact CE2-CD2 3.72Å; Y316-F320 HydrophobicContact CE2-CE2 4.2Å; Y316-F320 HydrophobicContact CE2-CG 4.13Å; Y316-F320 HydrophobicContact CG-CD2 4.46Å; Y316-F320 VanDerWaalsContact O-CD2 3.28Å; Y316-F320 WeakPolarHBondContact O-CD2 3.41Å; Y316-F320 PolarHBondContact O-N 3.28Å; Y316-I356 HydrophobicContact CE2-CB 4.23Å; Y316-I356 WeakPolarHBondContact CE2-O 3.47Å; Y316-I356 PolarHBondContact OH-O 3.02Å; Y316-G359 WeakPolarHBondContact OH-CA 3.05Å; Y316-A360 HydrophobicContact CE1-CB 4.38Å; Y316-A360 HydrophobicContact CE2-CB 4.27Å; Y316-A360 PolarHBondContact OH-N 3.08Å
317I96.8Very high95.3Very high3 Ų370.4 Ų70.42%0.01537%0.367CS..Hα-helixtrans-61.8-44.8-177.8-67.5-164.3000111.7V288 L313 N314 A315 F320 R321 A360 E364V288-I317 HydrophobicContact CG1-CD1 3.97Å; L313-I317 WeakPolarHBondContact O-CG1 3.34Å; L313-I317 PolarHBondContact O-N 3.22Å; N314-I317 PolarHBondContact O-N 2.86Å; N314-I317 VanDerWaalsContact O-N 3.17Å; A315-I317 PolarHBondContact O-N 3.16Å; I317-F320 PolarHBondContact O-N 3.31Å; I317-R321 HydrophobicContact CG2-CG 4.33Å; I317-R321 WeakPolarHBondContact O-CB 3.15Å; I317-R321 WeakPolarHBondContact O-CG 3.47Å; I317-R321 PolarHBondContact O-N 3.07Å; I317-A360 HydrophobicContact CG1-CB 4.4Å; I317-E364 HydrophobicContact CG2-CG 4.34Å
318E96.9Very high95.5Very high137 Ų13765.2 Ų65.264%0.6435%0.345SS*.Hα-helixtrans-62.7-45.2-178.8-74.2172.4-164.400111.3N314 A315 Y316 G322N314-E318 WeakPolarHBondContact O-CB 3.18Å; N314-E318 VanDerWaalsContact O-CG 3.31Å; N314-E318 WeakPolarHBondContact O-CG 3.26Å; N314-E318 PolarHBondContact O-N 3.1Å; A315-E318 PolarHBondContact O-N 3.32Å; Y316-E318 VanDerWaalsContact C-N 3.34Å; Y316-E318 PolarHBondContact O-N 3.16Å; E318-G322 VanDerWaalsContact O-CA 3.31Å; E318-G322 WeakPolarHBondContact O-CA 3.37Å; E318-G322 PolarHBondContact O-N 3.43Å
319I97.1Very high95.6Very high96 Ų9661 Ų6149%0.49232%0.319SS..Hα-helixtrans-63.1-49.4177.9-69.8165.9000110.6A315 Y316 G322 T323A315-I319 WeakPolarHBondContact O-CB 3.23Å; A315-I319 WeakPolarHBondContact O-CD1 3.42Å; A315-I319 WeakPolarHBondContact O-CG1 3.47Å; A315-I319 PolarHBondContact O-N 3.3Å; Y316-I319 PolarHBondContact O-N 2.84Å; I319-G322 PolarHBondContact O-N 2.74Å; I319-T323 WeakPolarHBondContact O-CB 3.2Å; I319-T323 PolarHBondContact O-N 3.35Å; I319-T323 PolarHBondContact O-OG1 3.49Å
320F96.8Very high95.5Very high30 Ų3057.8 Ų57.813%0.13231%0.311CS..Hα-helixtrans-73.9-29.8-172-83.4-86000113.7Y316 I317 Q328 I332 I356 N357 A360Y316-F320 AromaticContact CD2-CD2 3.38Å; Y316-F320 HydrophobicContact CD2-CD2 3.38Å; Y316-F320 AromaticContact CD2-CE2 3.78Å; Y316-F320 HydrophobicContact CD2-CE2 3.78Å; Y316-F320 HydrophobicContact CD2-CG 4.21Å; Y316-F320 HydrophobicContact CE2-CB 4.48Å; Y316-F320 AromaticContact CE2-CD2 3.72Å; Y316-F320 HydrophobicContact CE2-CD2 3.72Å; Y316-F320 HydrophobicContact CE2-CE2 4.2Å; Y316-F320 HydrophobicContact CE2-CG 4.13Å; Y316-F320 HydrophobicContact CG-CD2 4.46Å; Y316-F320 VanDerWaalsContact O-CD2 3.28Å; Y316-F320 WeakPolarHBondContact O-CD2 3.41Å; Y316-F320 PolarHBondContact O-N 3.28Å; I317-F320 PolarHBondContact O-N 3.31Å; F320-Q328 HydrophobicContact CD1-CG 4.47Å; F320-Q328 VanDerWaalsContact CD1-OE1 3.26Å; F320-Q328 HydrophobicContact CE1-CG 4.43Å; F320-Q328 PolarHBondContact O-NE2 3.22Å; F320-I332 HydrophobicContact CE1-CD1 3.91Å; F320-I332 HydrophobicContact CZ-CD1 3.98Å; F320-I356 HydrophobicContact CD1-CD1 4.33Å; F320-I356 HydrophobicContact CD1-CG1 3.97Å; F320-I356 HydrophobicContact CE1-CB 4.43Å; F320-I356 HydrophobicContact CE1-CD1 3.33Å; F320-I356 HydrophobicContact CE1-CG1 3.43Å; F320-I356 VanDerWaalsContact CE1-CG1 3.43Å; F320-I356 HydrophobicContact CE2-CD1 4.33Å; F320-I356 HydrophobicContact CZ-CD1 3.32Å; F320-I356 HydrophobicContact CZ-CG1 3.82Å; F320-N357 HydrophobicContact CD1-CB 4.4Å; F320-N357 PolarHBondContact O-ND2 3.18Å; F320-A360 HydrophobicContact CB-CB 3.67Å
321R95.4Very high95.5Very high113 Ų11361.8 Ų61.843%0.42633%0.332SS..Hα-helixtrans-86.5-19.3172.6-64.9174.367.1-136.33.2113.2I317 A360 Y361I317-R321 HydrophobicContact CG2-CG 4.33Å; I317-R321 WeakPolarHBondContact O-CB 3.15Å; I317-R321 WeakPolarHBondContact O-CG 3.47Å; I317-R321 PolarHBondContact O-N 3.07Å; R321-A360 HydrophobicContact CG-CB 3.88Å; R321-Y361 HydrophobicContact CB-CE1 4.39Å; R321-Y361 HydrophobicContact CG-CD1 4.11Å; R321-Y361 HydrophobicContact CG-CD2 4.14Å; R321-Y361 HydrophobicContact CG-CE1 4.03Å; R321-Y361 HydrophobicContact CG-CE2 4.04Å; R321-Y361 HydrophobicContact CG-CG 4.15Å
322G95.8Very high95.4Very high63 Ų6354.6 Ų54.665%0.64931%0.307SS*.Hα-helixtrans-95.1-12.7-176.700000114.8E318 I319E318-G322 VanDerWaalsContact O-CA 3.31Å; E318-G322 WeakPolarHBondContact O-CA 3.37Å; E318-G322 PolarHBondContact O-N 3.43Å; I319-G322 PolarHBondContact O-N 2.74Å
323T96.7Very high95.2Very high57 Ų5751.1 Ų51.135%0.3529%0.287SS..SBendtrans-119.3148.4-178.557.50000112.4I319 Q328I319-T323 WeakPolarHBondContact O-CB 3.2Å; I319-T323 PolarHBondContact O-N 3.35Å; I319-T323 PolarHBondContact O-OG1 3.49Å; T323-Q328 PolarHBondContact O-NE2 3.24Å; T323-Q328 WeakPolarHBondContact OG1-CG 3.3Å; T323-Q328 PolarHBondContact OG1-NE2 2.85Å
324P96.7Very high95Very high79 Ų7951.2 Ų51.251%0.51329%0.286SS..  trans-65.8137.2179.1-21.233.1000112.6I326 V327 Q328P324-I326 HydrophobicContact CB-CG2 4.06Å; P324-I326 PolarHBondContact O-N 3.37Å; P324-V327 HydrophobicContact CB-CG2 4.12Å; P324-V327 HydrophobicContact CG-CG2 4.25Å; P324-V327 PolarHBondContact O-N 3.23Å; P324-Q328 WeakPolarHBondContact O-CG 3.42Å; P324-Q328 PolarHBondContact O-N 3.33Å
325M95.7Very high94.7Very high18 Ų1849.6 Ų49.69%0.08929%0.285CS..Hα-helixtrans-62.4-29.9179.9-172.2167.477.200113V327 Q328 S329 I353 N357 D418 V421M325-V327 VanDerWaalsContact C-N 3.32Å; M325-V327 PolarHBondContact O-N 3.01Å; M325-Q328 PolarHBondContact O-N 3.36Å; M325-S329 WeakPolarHBondContact O-CB 3.34Å; M325-S329 PolarHBondContact O-N 2.89Å; M325-S329 PolarHBondContact O-OG 3.38Å; M325-I353 HydrophobicContact CG-CG2 4.04Å; M325-I353 HydrophobicContact SD-CG2 4.44Å; M325-N357 HydrophobicContact SD-CB 4.14Å; M325-D418 HydrophobicContact CE-CB 3.59Å; M325-D418 WeakPolarHBondContact CE-O 3.35Å; M325-V421 HydrophobicContact CB-CG2 4.09Å; M325-V421 HydrophobicContact CE-CG2 3.31Å; M325-V421 HydrophobicContact CG-CG2 3.91Å; M325-V421 HydrophobicContact SD-CG2 4.44Å
326I95.3Very high94.4Very high77 Ų7750.2 Ų50.240%0.39528%0.284SS..Hα-helixtrans-60.8-41.8173.8-166.1172.3000111.7P324 S329 A330 V421 I424P324-I326 HydrophobicContact CB-CG2 4.06Å; P324-I326 PolarHBondContact O-N 3.37Å; I326-S329 WeakPolarHBondContact O-CB 3.36Å; I326-S329 PolarHBondContact O-N 3.34Å; I326-A330 PolarHBondContact O-N 3.45Å; I326-V421 HydrophobicContact CB-CB 4.11Å; I326-V421 HydrophobicContact CG1-CB 4.49Å; I326-I424 HydrophobicContact CD1-CB 4.36Å; I326-I424 HydrophobicContact CG1-CB 3.96Å; I326-I424 HydrophobicContact CG1-CG1 4.25Å; I326-I424 HydrophobicContact CG1-CG2 3.85Å
327V94.3Very high94Very high77 Ų7748.6 Ų48.647%0.46728%0.279SS..Hα-helixtrans-71-45.3177.7179.90000110.1P324 M325 S329 A330 V331P324-V327 HydrophobicContact CB-CG2 4.12Å; P324-V327 HydrophobicContact CG-CG2 4.25Å; P324-V327 PolarHBondContact O-N 3.23Å; M325-V327 VanDerWaalsContact C-N 3.32Å; M325-V327 PolarHBondContact O-N 3.01Å; V327-S329 PolarHBondContact O-N 3.16Å; V327-A330 PolarHBondContact O-N 3.38Å; V327-V331 HydrophobicContact CG1-CG2 4.18Å; V327-V331 WeakPolarHBondContact O-CB 3.35Å; V327-V331 WeakPolarHBondContact O-CG2 3.4Å; V327-V331 PolarHBondContact O-N 2.88Å
328Q94.6Very high93.5Very high11 Ų1154 Ų545%0.05131%0.306CS..Hα-helixtrans-55.2-41.1174.3-66.3169.98.600111.1F320 T323 P324 M325 V331 I332 N357F320-Q328 HydrophobicContact CD1-CG 4.47Å; F320-Q328 VanDerWaalsContact CD1-OE1 3.26Å; F320-Q328 HydrophobicContact CE1-CG 4.43Å; F320-Q328 PolarHBondContact O-NE2 3.22Å; T323-Q328 PolarHBondContact O-NE2 3.24Å; T323-Q328 WeakPolarHBondContact OG1-CG 3.3Å; T323-Q328 PolarHBondContact OG1-NE2 2.85Å; P324-Q328 WeakPolarHBondContact O-CG 3.42Å; P324-Q328 PolarHBondContact O-N 3.33Å; M325-Q328 PolarHBondContact O-N 3.36Å; Q328-V331 PolarHBondContact O-N 3.25Å; Q328-I332 HydrophobicContact CB-CD1 4.29Å; Q328-I332 WeakPolarHBondContact O-CB 3.48Å; Q328-I332 WeakPolarHBondContact O-CD1 3.46Å; Q328-I332 WeakPolarHBondContact O-CG1 3.3Å; Q328-I332 PolarHBondContact O-N 3.35Å; Q328-N357 PolarHBondContact OE1-ND2 3.04Å
329S95Very high93.2Very high0 Ų050.9 Ų50.90%030%0.304CS..Hα-helixtrans-62.8-48.6-179.7-57.90000111.9M325 I326 V327 Y333 L422M325-S329 WeakPolarHBondContact O-CB 3.34Å; M325-S329 PolarHBondContact O-N 2.89Å; M325-S329 PolarHBondContact O-OG 3.38Å; I326-S329 WeakPolarHBondContact O-CB 3.36Å; I326-S329 PolarHBondContact O-N 3.34Å; V327-S329 PolarHBondContact O-N 3.16Å; S329-Y333 WeakPolarHBondContact O-CB 3.48Å; S329-Y333 PolarHBondContact O-N 2.89Å; S329-L422 WeakPolarHBondContact OG-CD2 3.36Å
330A91.5Very high92.8Very high29 Ų2953.6 Ų53.624%0.2431%0.312CS..Hα-helixtrans-63.1-48.5177.700000111.8I326 V327 Y334I326-A330 PolarHBondContact O-N 3.45Å; V327-A330 PolarHBondContact O-N 3.38Å; A330-Y334 HydrophobicContact CB-CD2 4.41Å; A330-Y334 WeakPolarHBondContact O-CB 3.47Å; A330-Y334 WeakPolarHBondContact O-CD2 3.26Å; A330-Y334 PolarHBondContact O-N 3.42Å
331V92.6Very high92.3Very high96 Ų9655.3 Ų55.358%0.58234%0.338SS*.Hα-helixtrans-63.6-45.6-178.8172.50000111.4V327 Q328 G335V327-V331 HydrophobicContact CG1-CG2 4.18Å; V327-V331 WeakPolarHBondContact O-CB 3.35Å; V327-V331 WeakPolarHBondContact O-CG2 3.4Å; V327-V331 PolarHBondContact O-N 2.88Å; Q328-V331 PolarHBondContact O-N 3.25Å; V331-G335 WeakPolarHBondContact O-CA 3.28Å; V331-G335 PolarHBondContact O-N 3.44Å
332I93.1Very high91.8Very high23 Ų2354.3 Ų54.312%0.11834%0.34CS..Hα-helixtrans-68.7-47.4-178.6-69.2169.1000110.1F320 Q328 I336 F352 I353 I356F320-I332 HydrophobicContact CE1-CD1 3.91Å; F320-I332 HydrophobicContact CZ-CD1 3.98Å; Q328-I332 HydrophobicContact CB-CD1 4.29Å; Q328-I332 WeakPolarHBondContact O-CB 3.48Å; Q328-I332 WeakPolarHBondContact O-CD1 3.46Å; Q328-I332 WeakPolarHBondContact O-CG1 3.3Å; Q328-I332 PolarHBondContact O-N 3.35Å; I332-I336 HydrophobicContact CG2-CD1 3.67Å; I332-I336 HydrophobicContact CG2-CG1 4.5Å; I332-I336 WeakPolarHBondContact O-CB 3.33Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I332-F352 HydrophobicContact CG2-CD1 3.97Å; I332-F352 HydrophobicContact CG2-CE1 3.96Å; I332-I353 HydrophobicContact CB-CD1 4.44Å; I332-I353 HydrophobicContact CB-CG1 4.2Å; I332-I353 HydrophobicContact CD1-CG1 4.07Å; I332-I353 HydrophobicContact CG2-CD1 4.36Å; I332-I353 HydrophobicContact CG2-CG1 3.95Å; I332-I356 HydrophobicContact CD1-CD1 3.88Å
333Y92.2Very high91.2Very high15 Ų1556.7 Ų56.76%0.05934%0.339CS..Hα-helixtrans-69.5-51.4-173.6-175.5-113.3000113S329 L344 R346 A349 I425S329-Y333 WeakPolarHBondContact O-CB 3.48Å; S329-Y333 PolarHBondContact O-N 2.89Å; Y333-L344 VanDerWaalsContact CE2-O 3.29Å; Y333-L344 WeakPolarHBondContact CE2-O 3.48Å; Y333-R346 HydrophobicContact CE2-CG 4.23Å; Y333-R346 WeakPolarHBondContact OH-CG 3.39Å; Y333-A349 HydrophobicContact CD2-CB 3.45Å; Y333-A349 VanDerWaalsContact CD2-CB 3.45Å; Y333-A349 HydrophobicContact CE2-CB 3.94Å; Y333-A349 HydrophobicContact CG-CB 4.49Å; Y333-I425 HydrophobicContact CD1-CB 3.84Å; Y333-I425 HydrophobicContact CD1-CG2 3.69Å; Y333-I425 HydrophobicContact CE1-CB 4.39Å; Y333-I425 HydrophobicContact CG-CB 4.13Å; Y333-I425 HydrophobicContact CG-CD1 4.31Å; Y333-I425 HydrophobicContact CG-CG2 3.89Å
334Y90.1Very high90.7Very high21 Ų2156.5 Ų56.58%0.08234%0.335CS..Hα-helixtrans-80.2-36.3-179.7-61-60000111.6P60 A61 A330 A337 M338 I425P60-Y334 HydrophobicContact CB-CD1 3.95Å; P60-Y334 HydrophobicContact CB-CD2 3.83Å; P60-Y334 HydrophobicContact CB-CE1 4.19Å; P60-Y334 HydrophobicContact CB-CE2 4.06Å; P60-Y334 HydrophobicContact CB-CG 3.78Å; A61-Y334 HydrophobicContact CB-CE1 4.06Å; A330-Y334 HydrophobicContact CB-CD2 4.41Å; A330-Y334 WeakPolarHBondContact O-CB 3.47Å; A330-Y334 WeakPolarHBondContact O-CD2 3.26Å; A330-Y334 PolarHBondContact O-N 3.42Å; Y334-A337 PolarHBondContact O-N 3.25Å; Y334-M338 WeakPolarHBondContact O-CB 3.34Å; Y334-M338 PolarHBondContact O-N 2.87Å; Y334-I425 HydrophobicContact CE2-CG2 4.17Å
335G89.6Confident90.4Very high30 Ų3057.6 Ų57.631%0.30934%0.337SS..Hα-helixtrans-69.5-39.2-178.900000113.5V331 A337 M338 A339V331-G335 WeakPolarHBondContact O-CA 3.28Å; V331-G335 PolarHBondContact O-N 3.44Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 3.46Å; G335-M338 PolarHBondContact O-N 3.46Å; G335-A339 WeakPolarHBondContact O-CB 3.28Å; G335-A339 PolarHBondContact O-N 3.05Å
336I89.3Confident90.1Very high39 Ų3958.7 Ų58.720%0.234%0.34CS..Hα-helixtrans-63.7-41.8174.7-73175.1000111I332 F340 I342 L344I332-I336 HydrophobicContact CG2-CD1 3.67Å; I332-I336 HydrophobicContact CG2-CG1 4.5Å; I332-I336 WeakPolarHBondContact O-CB 3.33Å; I332-I336 WeakPolarHBondContact O-CG1 3.48Å; I332-I336 PolarHBondContact O-N 3.4Å; I336-F340 HydrophobicContact CB-CD2 4.5Å; I336-F340 HydrophobicContact CG2-CD2 4.25Å; I336-F340 WeakPolarHBondContact O-CB 3.26Å; I336-F340 PolarHBondContact O-N 3.38Å; I336-I342 HydrophobicContact CG2-CB 3.97Å; I336-L344 HydrophobicContact CD1-CD1 4.25Å; I336-L344 HydrophobicContact CG2-CD1 4.03Å
337A88.9Confident90Very high7 Ų757.9 Ų57.96%0.05834%0.338CS..Hα-helixtrans-62.8-44.5177.800000111.3K66 Y334 G335 G341K66-A337 VanDerWaalsContact CE-CB 3.48Å; Y334-A337 PolarHBondContact O-N 3.25Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 3.46Å; A337-G341 WeakPolarHBondContact O-CA 3.42Å; A337-G341 PolarHBondContact O-N 3.16Å
338M85.5Confident90Very high117 Ų11756 Ų5658%0.57633%0.331SS*.Hα-helixtrans-70.7-40.4178.9-172.2179.4-71.400113.4Q63 Y334 G335Q63-M338 HydrophobicContact CB-CE 3.94Å; Y334-M338 WeakPolarHBondContact O-CB 3.34Å; Y334-M338 PolarHBondContact O-N 2.87Å; G335-M338 PolarHBondContact O-N 3.46Å
339A90.9Very high90Very high71 Ų7155.4 Ų55.459%0.58733%0.328SS*.Hα-helixtrans-81.4-33.9-174.500000113.5G335G335-A339 WeakPolarHBondContact O-CB 3.28Å; G335-A339 PolarHBondContact O-N 3.05Å
340F89.3Confident90Very high152 Ų15255.4 Ų55.467%0.66733%0.328SS*.Hα-helixtrans-120.9-5-173-55.4-72000113.8I336 I342I336-F340 HydrophobicContact CB-CD2 4.5Å; I336-F340 HydrophobicContact CG2-CD2 4.25Å; I336-F340 WeakPolarHBondContact O-CB 3.26Å; I336-F340 PolarHBondContact O-N 3.38Å; F340-I342 HydrophobicContact CB-CD1 3.81Å; F340-I342 HydrophobicContact CB-CG1 3.83Å; F340-I342 PolarHBondContact O-N 2.9Å
341G85.2Confident90.3Very high67 Ų6756 Ų5669%0.69133%0.327SS*.  trans6816.9-175.400000113.7A337A337-G341 WeakPolarHBondContact O-CA 3.42Å; A337-G341 PolarHBondContact O-N 3.16Å
342I86.1Confident90.5Very high91 Ų9156.1 Ų56.147%0.46732%0.32SS..  trans-91.1109.2-175.4-58.6174.1000109.8I336 F340 L344I336-I342 HydrophobicContact CG2-CB 3.97Å; F340-I342 HydrophobicContact CB-CD1 3.81Å; F340-I342 HydrophobicContact CB-CG1 3.83Å; F340-I342 PolarHBondContact O-N 2.9Å; I342-L344 HydrophobicContact CG2-CG 4.14Å; I342-L344 PolarHBondContact O-N 3.33Å; I342-L344 VanDerWaalsContact O-N 3.08Å
343D82.6Confident90.7Very high114 Ų11455 Ų5561%0.6131%0.314SS*.  trans-82.679.4175.1-172.614.1000112K66K66-D343 WeakPolarHBondContact CD-OD1 3.19Å; K66-D343 VanDerWaalsContact CE-OD1 3.31Å; K66-D343 WeakPolarHBondContact CE-OD1 3.28Å; K66-D343 IonicContact NZ-OD1 2.71Å; K66-D343 PolarHBondContact NZ-OD1 2.96Å
344L86.2Confident91Very high53 Ų5354.4 Ų54.428%0.27731%0.312SS..  trans-66131.9168.8-77.5156000110.7K66 Y333 I336 I342 A348 A349K66-L344 PolarHBondContact NZ-O 2.88Å; Y333-L344 VanDerWaalsContact CE2-O 3.29Å; Y333-L344 WeakPolarHBondContact CE2-O 3.48Å; I336-L344 HydrophobicContact CD1-CD1 4.25Å; I336-L344 HydrophobicContact CG2-CD1 4.03Å; I342-L344 HydrophobicContact CG2-CG 4.14Å; I342-L344 PolarHBondContact O-N 3.33Å; I342-L344 VanDerWaalsContact O-N 3.08Å; L344-A348 HydrophobicContact CD2-CB 4.34Å; L344-A349 HydrophobicContact CB-CB 4.42Å
345N89.5Confident91.4Very high102 Ų10253.8 Ų53.855%0.54531%0.311SS..  trans-65.6153.3168.38127.2000110.4T347 A348 A349N345-T347 VanDerWaalsContact C-N 3.29Å; N345-T347 PolarHBondContact O-N 2.6Å; N345-T347 PolarHBondContact OD1-N 2.9Å; N345-A348 PolarHBondContact O-N 3.32Å; N345-A348 WeakPolarHBondContact OD1-CB 3.41Å; N345-A348 PolarHBondContact OD1-N 3.21Å; N345-A349 PolarHBondContact O-N 2.75Å
346R89.8Confident91.8Very high40 Ų4053.3 Ų53.315%0.15130%0.301CS..Hα-helixtrans-59.4-37.1-173.9-64.8179.1-176.8179.8-5.4113.6K52 T53 Y333 A350 I425 S426 V427K52-R346 PolarHBondContact O-NH1 3.42Å; K52-R346 PolarHBondContact O-NH2 3.48Å; T53-R346 PolarHBondContact OG1-NH2 2.92Å; Y333-R346 HydrophobicContact CE2-CG 4.23Å; Y333-R346 WeakPolarHBondContact OH-CG 3.39Å; R346-A350 VanDerWaalsContact O-CB 3.24Å; R346-A350 WeakPolarHBondContact O-CB 3.44Å; R346-A350 PolarHBondContact O-N 3.3Å; R346-I425 WeakPolarHBondContact CD-O 3.28Å; R346-S426 VanDerWaalsContact CD-O 3.3Å; R346-S426 WeakPolarHBondContact CD-O 3.5Å; R346-S426 PolarHBondContact NH1-O 3.37Å; R346-V427 HydrophobicContact CB-CG2 4.01Å
347T93.3Very high92.2Very high60 Ų6052 Ų5237%0.36829%0.294SS..Hα-helixtrans-67.8-44.3-179.9-64.50000111.5M269 N345 A350 L351M269-T347 HydrophobicContact CE-CG2 3.67Å; M269-T347 WeakPolarHBondContact CE-OG1 3.34Å; N345-T347 VanDerWaalsContact C-N 3.29Å; N345-T347 PolarHBondContact O-N 2.6Å; N345-T347 PolarHBondContact OD1-N 2.9Å; T347-A350 PolarHBondContact O-N 3.41Å; T347-L351 HydrophobicContact CG2-CD1 4.12Å; T347-L351 WeakPolarHBondContact O-CB 3.25Å; T347-L351 VanDerWaalsContact O-CG 3.3Å; T347-L351 WeakPolarHBondContact O-CG 3.39Å; T347-L351 PolarHBondContact O-N 3.2Å
348A93.9Very high92.6Very high37 Ų3751.6 Ų51.631%0.30629%0.291SS..Hα-helixtrans-66.2-41.6177.300000111L344 N345 L351 F352L344-A348 HydrophobicContact CD2-CB 4.34Å; N345-A348 PolarHBondContact O-N 3.32Å; N345-A348 WeakPolarHBondContact OD1-CB 3.41Å; N345-A348 PolarHBondContact OD1-N 3.21Å; A348-L351 PolarHBondContact O-N 3.21Å; A348-F352 WeakPolarHBondContact O-CB 3.17Å; A348-F352 PolarHBondContact O-N 2.7Å
349A94.6Very high93.2Very high0 Ų046 Ų460%026%0.264CS..Hα-helixtrans-60.6-48.5173.400000111.5Y333 L344 N345 L351 F352 I353Y333-A349 HydrophobicContact CD2-CB 3.45Å; Y333-A349 VanDerWaalsContact CD2-CB 3.45Å; Y333-A349 HydrophobicContact CE2-CB 3.94Å; Y333-A349 HydrophobicContact CG-CB 4.49Å; L344-A349 HydrophobicContact CB-CB 4.42Å; N345-A349 PolarHBondContact O-N 2.75Å; A349-L351 PolarHBondContact O-N 3.25Å; A349-F352 WeakPolarHBondContact O-CB 3.22Å; A349-F352 PolarHBondContact O-N 3Å; A349-I353 HydrophobicContact CB-CD1 4.46Å; A349-I353 WeakPolarHBondContact O-CB 3.25Å; A349-I353 VanDerWaalsContact O-CD1 3.31Å; A349-I353 WeakPolarHBondContact O-CD1 3.44Å; A349-I353 WeakPolarHBondContact O-CG1 3.4Å; A349-I353 PolarHBondContact O-N 3.03Å
350A96.9Very high93.6Very high0 Ų042.7 Ų42.70%024%0.236CC..Hα-helixtrans-57.3-48.3175.700000112.5L273 R346 T347 F352 I353 V354 L422 V427L273-A350 HydrophobicContact CD1-CB 4.05Å; L273-A350 HydrophobicContact CD2-CB 3.6Å; L273-A350 HydrophobicContact CG-CB 4.48Å; R346-A350 VanDerWaalsContact O-CB 3.24Å; R346-A350 WeakPolarHBondContact O-CB 3.44Å; R346-A350 PolarHBondContact O-N 3.3Å; T347-A350 PolarHBondContact O-N 3.41Å; A350-F352 VanDerWaalsContact C-N 3.31Å; A350-F352 PolarHBondContact O-N 3.34Å; A350-I353 PolarHBondContact O-N 3.33Å; A350-V354 WeakPolarHBondContact O-CB 3.26Å; A350-V354 VanDerWaalsContact O-CG2 3.29Å; A350-V354 WeakPolarHBondContact O-CG2 3.35Å; A350-V354 PolarHBondContact O-N 3.17Å; A350-L422 HydrophobicContact CB-CD1 3.83Å; A350-L422 HydrophobicContact CB-CD2 4.39Å; A350-V427 HydrophobicContact CB-CG1 4.26Å; A350-V427 HydrophobicContact CB-CG2 3.86Å
351L97.8Very high93.9Very high42 Ų4239.1 Ų39.122%0.2222%0.219CC..Hα-helixtrans-58.8-44.1176.3-76.6172.2000111.6L272 L273 V276 T347 A348 A349 S355L272-L351 HydrophobicContact CD2-CD1 4.42Å; L272-L351 HydrophobicContact CD2-CD2 3.98Å; L272-L351 HydrophobicContact CD2-CG 4.46Å; L273-L351 HydrophobicContact CD2-CD2 3.78Å; L273-L351 HydrophobicContact CD2-CG 3.79Å; V276-L351 HydrophobicContact CB-CD2 3.67Å; V276-L351 HydrophobicContact CG1-CD2 3.66Å; V276-L351 HydrophobicContact CG2-CD2 4.44Å; T347-L351 HydrophobicContact CG2-CD1 4.12Å; T347-L351 WeakPolarHBondContact O-CB 3.25Å; T347-L351 VanDerWaalsContact O-CG 3.3Å; T347-L351 WeakPolarHBondContact O-CG 3.39Å; T347-L351 PolarHBondContact O-N 3.2Å; A348-L351 PolarHBondContact O-N 3.21Å; A349-L351 PolarHBondContact O-N 3.25Å; L351-S355 WeakPolarHBondContact O-CB 3.45Å; L351-S355 PolarHBondContact O-N 2.99Å; L351-S355 PolarHBondContact O-OG 2.83Å
352F96.1Very high94.5Very high98 Ų9836 Ų3643%0.4319%0.186SC..Hα-helixtrans-62.4-51.9177.1177.1-107.5000111.5I332 A348 A349 A350 V354 S355 I356I332-F352 HydrophobicContact CG2-CD1 3.97Å; I332-F352 HydrophobicContact CG2-CE1 3.96Å; A348-F352 WeakPolarHBondContact O-CB 3.17Å; A348-F352 PolarHBondContact O-N 2.7Å; A349-F352 WeakPolarHBondContact O-CB 3.22Å; A349-F352 PolarHBondContact O-N 3Å; A350-F352 VanDerWaalsContact C-N 3.31Å; A350-F352 PolarHBondContact O-N 3.34Å; F352-V354 PolarHBondContact O-N 3.32Å; F352-S355 PolarHBondContact O-N 3.49Å; F352-I356 HydrophobicContact CD1-CD1 3.9Å; F352-I356 HydrophobicContact CD2-CG2 4.09Å; F352-I356 HydrophobicContact CE1-CD1 3.5Å; F352-I356 VanDerWaalsContact CE1-CD1 3.5Å; F352-I356 HydrophobicContact CE2-CD1 4.39Å; F352-I356 HydrophobicContact CE2-CG2 3.77Å; F352-I356 HydrophobicContact CZ-CD1 3.78Å; F352-I356 HydrophobicContact CZ-CG2 4.09Å; F352-I356 VanDerWaalsContact O-CG1 3.31Å; F352-I356 WeakPolarHBondContact O-CG1 3.37Å; F352-I356 WeakPolarHBondContact O-CG2 3.31Å; F352-I356 PolarHBondContact O-N 2.89Å
353I97.5Very high95Very high0 Ų031.6 Ų31.60%016%0.164CC..Hα-helixtrans-59.2-49.8-178.5-68.1156000111.2M325 I332 A349 A350 S355 I356 N357 L422 I425M325-I353 HydrophobicContact CG-CG2 4.04Å; M325-I353 HydrophobicContact SD-CG2 4.44Å; I332-I353 HydrophobicContact CB-CD1 4.44Å; I332-I353 HydrophobicContact CB-CG1 4.2Å; I332-I353 HydrophobicContact CD1-CG1 4.07Å; I332-I353 HydrophobicContact CG2-CD1 4.36Å; I332-I353 HydrophobicContact CG2-CG1 3.95Å; A349-I353 HydrophobicContact CB-CD1 4.46Å; A349-I353 WeakPolarHBondContact O-CB 3.25Å; A349-I353 VanDerWaalsContact O-CD1 3.31Å; A349-I353 WeakPolarHBondContact O-CD1 3.44Å; A349-I353 WeakPolarHBondContact O-CG1 3.4Å; A349-I353 PolarHBondContact O-N 3.03Å; A350-I353 PolarHBondContact O-N 3.33Å; I353-S355 PolarHBondContact O-N 2.73Å; I353-I356 WeakPolarHBondContact O-CG1 3.46Å; I353-N357 WeakPolarHBondContact O-CB 3.27Å; I353-N357 PolarHBondContact O-N 2.96Å; I353-L422 HydrophobicContact CD1-CD2 4.44Å; I353-L422 HydrophobicContact CG2-CD2 4.25Å; I353-I425 HydrophobicContact CD1-CD1 3.97Å
354V98.4Very high95.6Very high1 Ų127.9 Ų27.91%0.00614%0.143CC..Hα-helixtrans-64.1-43.2179179.60000110.1A350 F352 I356 N357 T358 N415 L422A350-V354 WeakPolarHBondContact O-CB 3.26Å; A350-V354 VanDerWaalsContact O-CG2 3.29Å; A350-V354 WeakPolarHBondContact O-CG2 3.35Å; A350-V354 PolarHBondContact O-N 3.17Å; F352-V354 PolarHBondContact O-N 3.32Å; V354-I356 PolarHBondContact O-N 2.97Å; V354-N357 PolarHBondContact O-N 3.24Å; V354-T358 WeakPolarHBondContact O-CB 3.3Å; V354-T358 PolarHBondContact O-N 2.96Å; V354-T358 PolarHBondContact O-OG1 3.12Å; V354-N415 HydrophobicContact CG1-CB 4.47Å; V354-L422 HydrophobicContact CG2-CD1 3.8Å
355S98.5Very high96Very high8 Ų827.7 Ų27.76%0.05614%0.141CC..Hα-helixtrans-62.4-45.4-178.5-60.90000113.3G281 L351 F352 I353 G359G281-S355 VanDerWaalsContact CA-O 3.31Å; G281-S355 WeakPolarHBondContact CA-O 3.47Å; L351-S355 WeakPolarHBondContact O-CB 3.45Å; L351-S355 PolarHBondContact O-N 2.99Å; L351-S355 PolarHBondContact O-OG 2.83Å; F352-S355 PolarHBondContact O-N 3.49Å; I353-S355 PolarHBondContact O-N 2.73Å; S355-G359 WeakPolarHBondContact O-CA 3.15Å; S355-G359 PolarHBondContact O-N 3.27Å
356I97.4Very high96.3Very high21 Ų2122.8 Ų22.811%0.10812%0.115CC..Hα-helixtrans-74.7-34.1-179.667-171.6000111.6Y316 F320 I332 F352 I353 V354 G359 A360Y316-I356 HydrophobicContact CE2-CB 4.23Å; Y316-I356 WeakPolarHBondContact CE2-O 3.47Å; Y316-I356 PolarHBondContact OH-O 3.02Å; F320-I356 HydrophobicContact CD1-CD1 4.33Å; F320-I356 HydrophobicContact CD1-CG1 3.97Å; F320-I356 HydrophobicContact CE1-CB 4.43Å; F320-I356 HydrophobicContact CE1-CD1 3.33Å; F320-I356 HydrophobicContact CE1-CG1 3.43Å; F320-I356 VanDerWaalsContact CE1-CG1 3.43Å; F320-I356 HydrophobicContact CE2-CD1 4.33Å; F320-I356 HydrophobicContact CZ-CD1 3.32Å; F320-I356 HydrophobicContact CZ-CG1 3.82Å; I332-I356 HydrophobicContact CD1-CD1 3.88Å; F352-I356 HydrophobicContact CD1-CD1 3.9Å; F352-I356 HydrophobicContact CD2-CG2 4.09Å; F352-I356 HydrophobicContact CE1-CD1 3.5Å; F352-I356 VanDerWaalsContact CE1-CD1 3.5Å; F352-I356 HydrophobicContact CE2-CD1 4.39Å; F352-I356 HydrophobicContact CE2-CG2 3.77Å; F352-I356 HydrophobicContact CZ-CD1 3.78Å; F352-I356 HydrophobicContact CZ-CG2 4.09Å; F352-I356 VanDerWaalsContact O-CG1 3.31Å; F352-I356 WeakPolarHBondContact O-CG1 3.37Å; F352-I356 WeakPolarHBondContact O-CG2 3.31Å; F352-I356 PolarHBondContact O-N 2.89Å; I353-I356 WeakPolarHBondContact O-CG1 3.46Å; V354-I356 PolarHBondContact O-N 2.97Å; I356-G359 PolarHBondContact O-N 2.97Å; I356-A360 PolarHBondContact O-N 2.9Å
357N97.4Very high96.5Very high10 Ų1025.3 Ų25.35%0.05312%0.124CC..Hα-helixtrans-63.6-54.7174-176-79.4000109.9F320 M325 Q328 I353 V354 G359 A360 Y361F320-N357 HydrophobicContact CD1-CB 4.4Å; F320-N357 PolarHBondContact O-ND2 3.18Å; M325-N357 HydrophobicContact SD-CB 4.14Å; Q328-N357 PolarHBondContact OE1-ND2 3.04Å; I353-N357 WeakPolarHBondContact O-CB 3.27Å; I353-N357 PolarHBondContact O-N 2.96Å; V354-N357 PolarHBondContact O-N 3.24Å; N357-G359 VanDerWaalsContact C-N 3.25Å; N357-G359 PolarHBondContact O-N 2.89Å; N357-A360 WeakPolarHBondContact O-CB 3.43Å; N357-A360 PolarHBondContact O-N 2.85Å; N357-Y361 VanDerWaalsContact O-CD2 3.29Å; N357-Y361 WeakPolarHBondContact O-CD2 3.38Å; N357-Y361 PolarHBondContact O-N 3.25Å; N357-Y361 WeakPolarHBondContact OD1-CE2 3.43Å
358T98.2Very high96.4Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-60.5-35.4176.4-54.20000112.2V354 A360 Y361 M362 E411 N415V354-T358 WeakPolarHBondContact O-CB 3.3Å; V354-T358 PolarHBondContact O-N 2.96Å; V354-T358 PolarHBondContact O-OG1 3.12Å; T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 3.33Å; T358-Y361 PolarHBondContact O-N 2.81Å; T358-M362 HydrophobicContact CG2-CG 3.83Å; T358-M362 VanDerWaalsContact O-CB 3.31Å; T358-M362 WeakPolarHBondContact O-CB 3.27Å; T358-M362 VanDerWaalsContact O-CG 3.24Å; T358-M362 WeakPolarHBondContact O-CG 3.42Å; T358-M362 PolarHBondContact O-N 2.81Å; T358-E411 HydrophobicContact CG2-CB 4.35Å; T358-N415 PolarHBondContact OG1-ND2 3.02Å; T358-N415 PolarHBondContact OG1-OD1 3.33Å
359G98.4Very high96.4Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-58-36.917500000113.4G281 Y316 S355 I356 N357 S363G281-G359 VanDerWaalsContact O-CA 3.3Å; G281-G359 WeakPolarHBondContact O-CA 3.25Å; Y316-G359 WeakPolarHBondContact OH-CA 3.05Å; S355-G359 WeakPolarHBondContact O-CA 3.15Å; S355-G359 PolarHBondContact O-N 3.27Å; I356-G359 PolarHBondContact O-N 2.97Å; N357-G359 VanDerWaalsContact C-N 3.25Å; N357-G359 PolarHBondContact O-N 2.89Å; G359-S363 WeakPolarHBondContact O-CB 3.48Å; G359-S363 PolarHBondContact O-N 2.85Å; G359-S363 PolarHBondContact O-OG 2.79Å
360A98Very high96.3Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-69.1-44.5178.100000111.5Y316 I317 F320 R321 I356 N357 T358 S363Y316-A360 HydrophobicContact CE1-CB 4.38Å; Y316-A360 HydrophobicContact CE2-CB 4.27Å; Y316-A360 PolarHBondContact OH-N 3.08Å; I317-A360 HydrophobicContact CG1-CB 4.4Å; F320-A360 HydrophobicContact CB-CB 3.67Å; R321-A360 HydrophobicContact CG-CB 3.88Å; I356-A360 PolarHBondContact O-N 2.9Å; N357-A360 WeakPolarHBondContact O-CB 3.43Å; N357-A360 PolarHBondContact O-N 2.85Å; T358-A360 VanDerWaalsContact C-N 3.26Å; T358-A360 PolarHBondContact O-N 3.33Å; A360-S363 PolarHBondContact O-N 2.87Å
361Y96.9Very high96Very high78 Ų7829.4 Ų29.431%0.30614%0.144SC..Hα-helixtrans-64.9-45.2174.5-71.2-86.6000111.9R321 N357 T358 S363 E364 I365R321-Y361 HydrophobicContact CB-CE1 4.39Å; R321-Y361 HydrophobicContact CG-CD1 4.11Å; R321-Y361 HydrophobicContact CG-CD2 4.14Å; R321-Y361 HydrophobicContact CG-CE1 4.03Å; R321-Y361 HydrophobicContact CG-CE2 4.04Å; R321-Y361 HydrophobicContact CG-CG 4.15Å; N357-Y361 VanDerWaalsContact O-CD2 3.29Å; N357-Y361 WeakPolarHBondContact O-CD2 3.38Å; N357-Y361 PolarHBondContact O-N 3.25Å; N357-Y361 WeakPolarHBondContact OD1-CE2 3.43Å; T358-Y361 PolarHBondContact O-N 2.81Å; Y361-S363 VanDerWaalsContact C-N 3.3Å; Y361-S363 PolarHBondContact O-N 3.36Å; Y361-E364 PolarHBondContact O-N 2.65Å; Y361-I365 PolarHBondContact O-N 2.95Å
362M97.1Very high95.6Very high0 Ų030.7 Ų30.70%016%0.161CC..Hα-helixtrans-62.9-34.2178.6-72.1-73.283.200113.1T282 T358 E364 I365 V366 T408 E411T282-M362 HydrophobicContact CG2-SD 4.47Å; T282-M362 PolarHBondContact OG1-SD 2.86Å; T282-M362 VanDerWaalsContact OG1-SD 3.42Å; T358-M362 HydrophobicContact CG2-CG 3.83Å; T358-M362 VanDerWaalsContact O-CB 3.31Å; T358-M362 WeakPolarHBondContact O-CB 3.27Å; T358-M362 VanDerWaalsContact O-CG 3.24Å; T358-M362 WeakPolarHBondContact O-CG 3.42Å; T358-M362 PolarHBondContact O-N 2.81Å; M362-E364 VanDerWaalsContact C-N 3.28Å; M362-E364 PolarHBondContact O-N 2.92Å; M362-I365 HydrophobicContact CE-CB 3.88Å; M362-I365 HydrophobicContact CE-CD1 3.13Å; M362-I365 HydrophobicContact CE-CG1 4.05Å; M362-I365 HydrophobicContact CE-CG2 3.95Å; M362-I365 PolarHBondContact O-N 2.82Å; M362-V366 WeakPolarHBondContact O-CB 3.43Å; M362-V366 VanDerWaalsContact O-CG2 3.25Å; M362-V366 WeakPolarHBondContact O-CG2 3.28Å; M362-V366 PolarHBondContact O-N 3.14Å; M362-T408 HydrophobicContact SD-CG2 4.33Å; M362-E411 HydrophobicContact CE-CB 4.28Å; M362-E411 HydrophobicContact CE-CG 3.29Å; M362-E411 HydrophobicContact SD-CG 4.2Å
363S97.3Very high95.5Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-59.4-38176.8-65.40000112.8G285 V288 G359 A360 Y361 R367G285-S363 WeakPolarHBondContact CA-OG 3.46Å; V288-S363 WeakPolarHBondContact CB-OG 3.49Å; V288-S363 WeakPolarHBondContact CG1-OG 3.29Å; G359-S363 WeakPolarHBondContact O-CB 3.48Å; G359-S363 PolarHBondContact O-N 2.85Å; G359-S363 PolarHBondContact O-OG 2.79Å; A360-S363 PolarHBondContact O-N 2.87Å; Y361-S363 VanDerWaalsContact C-N 3.3Å; Y361-S363 PolarHBondContact O-N 3.36Å; S363-R367 WeakPolarHBondContact O-CB 2.94Å; S363-R367 PolarHBondContact O-N 2.87Å
364E94.2Very high95.3Very high36 Ų3631.7 Ų31.717%0.16817%0.171CC..Hα-helixtrans-75.3-37.9176.3-72.1-57.2131.100112.6R292 I317 Y361 M362 R367 G368R292-E364 IonicContact CZ-OE1 2.93Å; R292-E364 IonicContact NH1-OE1 3.66Å; R292-E364 PolarHBondContact NH1-OE1 2.88Å; I317-E364 HydrophobicContact CG2-CG 4.34Å; Y361-E364 PolarHBondContact O-N 2.65Å; M362-E364 VanDerWaalsContact C-N 3.28Å; M362-E364 PolarHBondContact O-N 2.92Å; E364-R367 PolarHBondContact O-N 3.38Å; E364-R367 IonicContact OE1-NE 3.87Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 VanDerWaalsContact OE2-CZ 3.24Å; E364-R367 IonicContact OE2-NE 2.89Å; E364-R367 PolarHBondContact OE2-NE 3.37Å; E364-R367 IonicContact OE2-NH2 2.8Å; E364-R367 PolarHBondContact OE2-NH2 2.68Å; E364-G368 PolarHBondContact O-N 3.36Å
365I95.4Very high94.9Very high48 Ų4838.2 Ų38.225%0.24620%0.201CC..Hα-helixtrans-64.3-42.7176.1-74.6162.7000110.7Y361 M362 G368 G369 I404 A407 E411Y361-I365 PolarHBondContact O-N 2.95Å; M362-I365 HydrophobicContact CE-CB 3.88Å; M362-I365 HydrophobicContact CE-CD1 3.13Å; M362-I365 HydrophobicContact CE-CG1 4.05Å; M362-I365 HydrophobicContact CE-CG2 3.95Å; M362-I365 PolarHBondContact O-N 2.82Å; I365-G368 PolarHBondContact O-N 3.14Å; I365-G369 PolarHBondContact O-N 3.01Å; I365-I404 HydrophobicContact CG2-CB 3.87Å; I365-I404 HydrophobicContact CG2-CG2 3.88Å; I365-A407 HydrophobicContact CD1-CB 4.09Å; I365-A407 HydrophobicContact CG1-CB 4.41Å; I365-A407 HydrophobicContact CG2-CB 3.64Å; I365-E411 HydrophobicContact CD1-CG 4.49Å
366V96.2Very high94.7Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-63.2-44.6173.8170.70000110.8L286 M362 G368 G369 I370 V400 I404L286-V366 HydrophobicContact CD2-CG1 4.15Å; L286-V366 HydrophobicContact CD2-CG2 3.82Å; L286-V366 HydrophobicContact CG-CG2 4.09Å; M362-V366 WeakPolarHBondContact O-CB 3.43Å; M362-V366 VanDerWaalsContact O-CG2 3.25Å; M362-V366 WeakPolarHBondContact O-CG2 3.28Å; M362-V366 PolarHBondContact O-N 3.14Å; V366-G368 PolarHBondContact O-N 3.07Å; V366-G369 CarbonylContact O-C 3.48Å; V366-G369 PolarHBondContact O-N 3.35Å; V366-G369 VanDerWaalsContact O-N 3.16Å; V366-I370 HydrophobicContact CG1-CD1 3.83Å; V366-I370 HydrophobicContact CG1-CG1 4.33Å; V366-I370 WeakPolarHBondContact O-CG1 3.37Å; V366-I370 PolarHBondContact O-N 2.74Å; V366-V400 HydrophobicContact CG1-CG1 4.28Å; V366-I404 HydrophobicContact CG2-CD1 3.68Å
367R92.1Very high94.5Very high92 Ų9242.2 Ų42.235%0.34723%0.226SC..Hα-helixtrans-58.4-47.9176.6-176.4-176.769.684.93.4111.4S363 E364 G369 I370 F371S363-R367 WeakPolarHBondContact O-CB 2.94Å; S363-R367 PolarHBondContact O-N 2.87Å; E364-R367 PolarHBondContact O-N 3.38Å; E364-R367 IonicContact OE1-NE 3.87Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 VanDerWaalsContact OE2-CZ 3.24Å; E364-R367 IonicContact OE2-NE 2.89Å; E364-R367 PolarHBondContact OE2-NE 3.37Å; E364-R367 IonicContact OE2-NH2 2.8Å; E364-R367 PolarHBondContact OE2-NH2 2.68Å; R367-G369 VanDerWaalsContact C-N 3.31Å; R367-G369 PolarHBondContact O-N 3.32Å; R367-I370 PolarHBondContact O-N 2.78Å; R367-F371 HydrophobicContact CG-CD2 3.89Å; R367-F371 HydrophobicContact CG-CE2 3.47Å; R367-F371 VanDerWaalsContact CG-CE2 3.47Å; R367-F371 HydrophobicContact CG-CZ 4.29Å; R367-F371 WeakPolarHBondContact O-CD2 3.5Å; R367-F371 PolarHBondContact O-N 3.33Å
368G91.8Very high94.3Very high38 Ų3844.4 Ų44.439%0.39224%0.235SC..Hα-helixtrans-60.3-40.7174.500000112.4E364 I365 V366 F371 A372E364-G368 PolarHBondContact O-N 3.36Å; I365-G368 PolarHBondContact O-N 3.14Å; V366-G368 PolarHBondContact O-N 3.07Å; G368-F371 PolarHBondContact O-N 3.1Å; G368-A372 WeakPolarHBondContact O-CB 3.29Å; G368-A372 PolarHBondContact O-N 3.34Å
369G93.6Very high94.1Very high8 Ų849.6 Ų49.68%0.08226%0.259CS..Hα-helixtrans-64.5-37.317600000113.7I365 V366 R367 A372I365-G369 PolarHBondContact O-N 3.01Å; V366-G369 CarbonylContact O-C 3.48Å; V366-G369 PolarHBondContact O-N 3.35Å; V366-G369 VanDerWaalsContact O-N 3.16Å; R367-G369 VanDerWaalsContact C-N 3.31Å; R367-G369 PolarHBondContact O-N 3.32Å; G369-A372 PolarHBondContact O-N 3.38Å
370I93.7Very high93.9Very high1 Ų152.1 Ų52.11%0.00528%0.28CS..Hα-helixtrans-67-44.9174.3-66.8163.2000110.3T293 V366 R367 A372 V373 F378 M392 V396 V400T293-I370 HydrophobicContact CG2-CD1 3.99Å; T293-I370 HydrophobicContact CG2-CG2 4.03Å; V366-I370 HydrophobicContact CG1-CD1 3.83Å; V366-I370 HydrophobicContact CG1-CG1 4.33Å; V366-I370 WeakPolarHBondContact O-CG1 3.37Å; V366-I370 PolarHBondContact O-N 2.74Å; R367-I370 PolarHBondContact O-N 2.78Å; I370-A372 PolarHBondContact O-N 2.78Å; I370-V373 WeakPolarHBondContact O-CB 3.44Å; I370-V373 PolarHBondContact O-N 2.97Å; I370-V373 VanDerWaalsContact O-N 3.11Å; I370-F378 HydrophobicContact CG2-CZ 4.03Å; I370-M392 HydrophobicContact CG2-CE 4.28Å; I370-V396 HydrophobicContact CG1-CG1 4.36Å; I370-V396 HydrophobicContact CG2-CG1 4.03Å; I370-V400 HydrophobicContact CB-CG2 4.28Å; I370-V400 HydrophobicContact CG1-CG1 4.27Å; I370-V400 HydrophobicContact CG1-CG2 3.64Å
371F89.8Confident93.7Very high137 Ų13752.3 Ų52.360%0.60128%0.281SS*.Hα-helixtrans-70.7-16.6178.5-67.7-40.3000114.3R367 G368 V373R367-F371 HydrophobicContact CG-CD2 3.89Å; R367-F371 HydrophobicContact CG-CE2 3.47Å; R367-F371 VanDerWaalsContact CG-CE2 3.47Å; R367-F371 HydrophobicContact CG-CZ 4.29Å; R367-F371 WeakPolarHBondContact O-CD2 3.5Å; R367-F371 PolarHBondContact O-N 3.33Å; G368-F371 PolarHBondContact O-N 3.1Å; F371-V373 VanDerWaalsContact C-N 3.28Å
372A90.6Very high93.4Very high69 Ų6955.4 Ų55.457%0.5730%0.298SS*.THydrogen-bonded Turntrans-77.5-12.6171.400000113.2G368 G369 I370G368-A372 WeakPolarHBondContact O-CB 3.29Å; G368-A372 PolarHBondContact O-N 3.34Å; G369-A372 PolarHBondContact O-N 3.38Å; I370-A372 PolarHBondContact O-N 2.78Å
373V92.6Very high93.3Very high9 Ų959.5 Ų59.56%0.05533%0.333CS..SBendtrans-76.3130173.5177.80000109.1I370 F371 Q375 Q377 F378 V396 Q399 V400I370-V373 WeakPolarHBondContact O-CB 3.44Å; I370-V373 PolarHBondContact O-N 2.97Å; I370-V373 VanDerWaalsContact O-N 3.11Å; F371-V373 VanDerWaalsContact C-N 3.28Å; V373-Q375 PolarHBondContact O-N 3.08Å; V373-Q377 HydrophobicContact CG1-CB 4.13Å; V373-Q377 HydrophobicContact CG1-CG 4.38Å; V373-F378 HydrophobicContact CB-CE2 3.94Å; V373-F378 HydrophobicContact CB-CZ 4.5Å; V373-F378 HydrophobicContact CG1-CD2 4.47Å; V373-F378 HydrophobicContact CG1-CE2 3.83Å; V373-V396 HydrophobicContact CG2-CG1 4.22Å; V373-Q399 HydrophobicContact CG2-CB 4.15Å; V373-V400 HydrophobicContact CG2-CG2 4.21Å
374D93.4Very high93.3Very high110 Ų11065.9 Ų65.959%0.58837%0.365SS*.  trans-52.9131.6-179.4-175.2-82.7000112G376 Q377D374-G376 PolarHBondContact O-N 3.32Å; D374-G376 VanDerWaalsContact OD1-CA 3.23Å; D374-G376 WeakPolarHBondContact OD1-CA 3.28Å; D374-G376 PolarHBondContact OD1-N 3.04Å; D374-Q377 HydrophobicContact CB-CG 4.29Å; D374-Q377 WeakPolarHBondContact O-CB 3.27Å; D374-Q377 PolarHBondContact O-N 2.77Å
375Q90.4Very high93.2Very high138 Ų13867 Ų6765%0.64539%0.387SS*.Hα-helixtrans-60.1-32.3-177.3-174.2179.4-29.800112.2V373 Q377 F378 E379V373-Q375 PolarHBondContact O-N 3.08Å; Q375-Q377 PolarHBondContact O-N 3.24Å; Q375-F378 WeakPolarHBondContact O-CB 3.38Å; Q375-F378 PolarHBondContact O-N 3.45Å; Q375-E379 HydrophobicContact CG-CG 4.49Å; Q375-E379 PolarHBondContact NE2-OE1 2.84Å; Q375-E379 PolarHBondContact O-N 3.01Å
376G94.9Very high93.2Very high27 Ų2766.2 Ų66.228%0.27838%0.382SS..Hα-helixtrans-60.6-25.9175.700000113.3D374 E379 A380D374-G376 PolarHBondContact O-N 3.32Å; D374-G376 VanDerWaalsContact OD1-CA 3.23Å; D374-G376 WeakPolarHBondContact OD1-CA 3.28Å; D374-G376 PolarHBondContact OD1-N 3.04Å; G376-E379 PolarHBondContact O-N 2.93Å; G376-A380 WeakPolarHBondContact O-CB 3.48Å; G376-A380 PolarHBondContact O-N 3.03Å
377Q93.5Very high93Very high86 Ų8670.1 Ų70.140%0.40241%0.406SS..Hα-helixtrans-69.4-36172.8-64.4-67.7-38.100112.1V373 D374 Q375 A381 V395V373-Q377 HydrophobicContact CG1-CB 4.13Å; V373-Q377 HydrophobicContact CG1-CG 4.38Å; D374-Q377 HydrophobicContact CB-CG 4.29Å; D374-Q377 WeakPolarHBondContact O-CB 3.27Å; D374-Q377 PolarHBondContact O-N 2.77Å; Q375-Q377 PolarHBondContact O-N 3.24Å; Q377-A381 WeakPolarHBondContact O-CB 3.43Å; Q377-A381 PolarHBondContact O-N 3.35Å; Q377-A381 VanDerWaalsContact O-N 3.14Å; Q377-V395 HydrophobicContact CB-CG1 4.21Å
378F92.3Very high92.8Very high55 Ų5568.3 Ų68.324%0.24140%0.402CS..Hα-helixtrans-69-43.1174-67.6-98.8000110.8I370 V373 Q375 A381 H382 T391 M392 V396I370-F378 HydrophobicContact CG2-CZ 4.03Å; V373-F378 HydrophobicContact CB-CE2 3.94Å; V373-F378 HydrophobicContact CB-CZ 4.5Å; V373-F378 HydrophobicContact CG1-CD2 4.47Å; V373-F378 HydrophobicContact CG1-CE2 3.83Å; Q375-F378 WeakPolarHBondContact O-CB 3.38Å; Q375-F378 PolarHBondContact O-N 3.45Å; F378-A381 PolarHBondContact O-N 3.34Å; F378-H382 WeakPolarHBondContact O-CB 3.42Å; F378-H382 PolarHBondContact O-N 3.47Å; F378-T391 HydrophobicContact CD1-CG2 4.22Å; F378-M392 HydrophobicContact CE1-CE 3.75Å; F378-M392 HydrophobicContact CZ-CE 4.48Å; F378-V396 HydrophobicContact CD1-CG2 4.12Å; F378-V396 HydrophobicContact CE1-CG1 4.35Å; F378-V396 HydrophobicContact CE1-CG2 3.55Å; F378-V396 HydrophobicContact CE2-CG2 4.14Å; F378-V396 HydrophobicContact CZ-CB 4.39Å; F378-V396 HydrophobicContact CZ-CG1 3.87Å; F378-V396 HydrophobicContact CZ-CG2 3.56Å
379E93.2Very high92.7Very high109 Ų10968.8 Ų68.851%0.50941%0.406SS..Hα-helixtrans-65.1-44.4178.5-67.6172.5-175.900111.8Q375 G376 H382 A383Q375-E379 HydrophobicContact CG-CG 4.49Å; Q375-E379 PolarHBondContact NE2-OE1 2.84Å; Q375-E379 PolarHBondContact O-N 3.01Å; G376-E379 PolarHBondContact O-N 2.93Å; E379-H382 PolarHBondContact O-N 2.86Å; E379-A383 WeakPolarHBondContact O-CB 3.48Å; E379-A383 PolarHBondContact O-N 2.91Å
380A95.7Very high92.8Very high53 Ų5372.2 Ų72.244%0.43842%0.42SS..Hα-helixtrans-62.7-44.5176.800000112G376 H382 A383 I384G376-A380 WeakPolarHBondContact O-CB 3.48Å; G376-A380 PolarHBondContact O-N 3.03Å; A380-H382 VanDerWaalsContact C-N 3.3Å; A380-H382 PolarHBondContact O-N 2.99Å; A380-A383 PolarHBondContact O-N 2.9Å; A380-I384 PolarHBondContact O-N 2.81Å
381A94Very high92.8Very high4 Ų472.6 Ų72.63%0.03342%0.422CS..Hα-helixtrans-60.9-41.5175.100000111.4Q377 F378 I384 M386 T391 V395Q377-A381 WeakPolarHBondContact O-CB 3.43Å; Q377-A381 PolarHBondContact O-N 3.35Å; Q377-A381 VanDerWaalsContact O-N 3.14Å; F378-A381 PolarHBondContact O-N 3.34Å; A381-I384 WeakPolarHBondContact O-CG1 3.09Å; A381-M386 HydrophobicContact CB-CB 4.22Å; A381-M386 HydrophobicContact CB-CG 4.46Å; A381-M386 HydrophobicContact CB-SD 3.82Å; A381-M386 WeakPolarHBondContact O-CB 3.39Å; A381-M386 WeakPolarHBondContact O-CG 3.45Å; A381-M386 PolarHBondContact O-N 2.72Å; A381-T391 HydrophobicContact CB-CG2 3.67Å; A381-V395 HydrophobicContact CB-CG2 4.38Å
382H90.5Very high93Very high143 Ų14366.2 Ų66.266%0.66240%0.395SS*.Hα-helixtrans-66.4-40.8176.7-17056.9000112.5F378 E379 A380 I384 G385F378-H382 WeakPolarHBondContact O-CB 3.42Å; F378-H382 PolarHBondContact O-N 3.47Å; E379-H382 PolarHBondContact O-N 2.86Å; A380-H382 VanDerWaalsContact C-N 3.3Å; A380-H382 PolarHBondContact O-N 2.99Å; H382-I384 VanDerWaalsContact C-N 3.28Å; H382-I384 PolarHBondContact O-N 3.33Å; H382-G385 WeakPolarHBondContact O-CA 3.38Å; H382-G385 PolarHBondContact O-N 3.26Å
383A94.7Very high93.2Very high87 Ų8771.2 Ų71.272%0.71940%0.399SS*.Hα-helixtrans-62.8-32179.600000113.1E379 A380 G385E379-A383 WeakPolarHBondContact O-CB 3.48Å; E379-A383 PolarHBondContact O-N 2.91Å; A380-A383 PolarHBondContact O-N 2.9Å; A383-G385 VanDerWaalsContact C-N 3.26Å; A383-G385 PolarHBondContact O-N 2.89Å
384I95.7Very high93.3Very high134 Ų13477.1 Ų77.169%0.68742%0.424SS*.THydrogen-bonded Turntrans-88.912.4173.869.2175.3000113.2A380 A381 H382 M386A380-I384 PolarHBondContact O-N 2.81Å; A381-I384 WeakPolarHBondContact O-CG1 3.09Å; H382-I384 VanDerWaalsContact C-N 3.28Å; H382-I384 PolarHBondContact O-N 3.33Å; I384-M386 HydrophobicContact CD1-CG 4.19Å; I384-M386 HydrophobicContact CD1-SD 3.84Å; I384-M386 HydrophobicContact CG1-CG 3.94Å; I384-M386 HydrophobicContact CG1-SD 4.16Å
385G94Very high93.3Very high60 Ų6073.2 Ų73.262%0.61940%0.404SS*.THydrogen-bonded Turntrans80.719173.200000115.4H382 A383H382-G385 WeakPolarHBondContact O-CA 3.38Å; H382-G385 PolarHBondContact O-N 3.26Å; A383-G385 VanDerWaalsContact C-N 3.26Å; A383-G385 PolarHBondContact O-N 2.89Å
386M94.7Very high93.6Very high30 Ų3066.7 Ų66.715%0.14837%0.373CS..  trans-72.3136176.2-62.6177.967.900111.6A381 I384 Q390 K394 V395A381-M386 HydrophobicContact CB-CB 4.22Å; A381-M386 HydrophobicContact CB-CG 4.46Å; A381-M386 HydrophobicContact CB-SD 3.82Å; A381-M386 WeakPolarHBondContact O-CB 3.39Å; A381-M386 WeakPolarHBondContact O-CG 3.45Å; A381-M386 PolarHBondContact O-N 2.72Å; I384-M386 HydrophobicContact CD1-CG 4.19Å; I384-M386 HydrophobicContact CD1-SD 3.84Å; I384-M386 HydrophobicContact CG1-CG 3.94Å; I384-M386 HydrophobicContact CG1-SD 4.16Å; M386-Q390 HydrophobicContact CB-CB 4.11Å; M386-Q390 HydrophobicContact CE-CB 3.88Å; M386-Q390 WeakPolarHBondContact CE-O 3.39Å; M386-K394 HydrophobicContact CE-CB 3.97Å; M386-K394 HydrophobicContact CE-CD 4.14Å; M386-V395 HydrophobicContact CE-CG2 3.93Å; M386-V395 HydrophobicContact SD-CG2 4.24Å
387T91.9Very high93.5Very high82 Ų8267.3 Ų67.350%0.50337%0.37SS..  trans-73.7158.9170.470.30000110.9G389 Q390 T391T387-G389 PolarHBondContact O-N 3.5Å; T387-G389 VanDerWaalsContact O-N 3.16Å; T387-Q390 CarbonylContact O-C 3.57Å; T387-Q390 WeakPolarHBondContact O-CA 3.17Å; T387-Q390 WeakPolarHBondContact O-CB 3.3Å; T387-Q390 PolarHBondContact O-N 3.06Å; T387-Q390 WeakPolarHBondContact OG1-CG 3.29Å; T387-Q390 PolarHBondContact OG1-N 3.44Å; T387-T391 PolarHBondContact O-N 3.2Å; T387-T391 PolarHBondContact O-OG1 3.05Å
388H88.7Confident93.5Very high55 Ų5566.5 Ų66.526%0.25537%0.372SS..Hα-helixtrans-51.6-42.4177.8-179.681.7000113T293 P295 Q390 T391 M392T293-H388 PolarHBondContact O-CE1 3.47Å; P295-H388 HydrophobicContact CG-CB 4.46Å; H388-Q390 PolarHBondContact O-N 3.08Å; H388-T391 PolarHBondContact O-N 2.8Å; H388-M392 WeakPolarHBondContact CE1-CE 3.41Å; H388-M392 WeakPolarHBondContact O-CB 3.06Å; H388-M392 WeakPolarHBondContact O-CG 3.33Å; H388-M392 PolarHBondContact O-N 3.13Å
389G89.1Confident93.6Very high48 Ų4867.3 Ų67.350%0.49538%0.377SS..Hα-helixtrans-66.7-33.6176.300000113.6T387 R393T387-G389 PolarHBondContact O-N 3.5Å; T387-G389 VanDerWaalsContact O-N 3.16Å; G389-R393 VanDerWaalsContact O-CB 3.25Å; G389-R393 WeakPolarHBondContact O-CB 3.47Å; G389-R393 PolarHBondContact O-N 2.91Å
390Q94.7Very high93.7Very high79 Ų7962.1 Ų62.137%0.36935%0.352SS..Hα-helixtrans-70.3-45173.6-70.6171-21.500111.1M386 T387 H388 R393 K394M386-Q390 HydrophobicContact CB-CB 4.11Å; M386-Q390 HydrophobicContact CE-CB 3.88Å; M386-Q390 WeakPolarHBondContact CE-O 3.39Å; T387-Q390 CarbonylContact O-C 3.57Å; T387-Q390 WeakPolarHBondContact O-CA 3.17Å; T387-Q390 WeakPolarHBondContact O-CB 3.3Å; T387-Q390 PolarHBondContact O-N 3.06Å; T387-Q390 WeakPolarHBondContact OG1-CG 3.29Å; T387-Q390 PolarHBondContact OG1-N 3.44Å; H388-Q390 PolarHBondContact O-N 3.08Å; Q390-R393 PolarHBondContact O-N 3.41Å; Q390-K394 WeakPolarHBondContact O-CB 3.29Å; Q390-K394 PolarHBondContact O-N 3.01Å
391T94.5Very high93.5Very high9 Ų963.8 Ų63.86%0.05535%0.354CS..Hα-helixtrans-58.9-47.8175.9-55.50000110.4F378 A381 T387 H388 V395 V396F378-T391 HydrophobicContact CD1-CG2 4.22Å; A381-T391 HydrophobicContact CB-CG2 3.67Å; T387-T391 PolarHBondContact O-N 3.2Å; T387-T391 PolarHBondContact O-OG1 3.05Å; H388-T391 PolarHBondContact O-N 2.8Å; T391-V395 WeakPolarHBondContact O-CA 3.47Å; T391-V395 WeakPolarHBondContact O-CB 3.41Å; T391-V395 PolarHBondContact O-N 2.77Å; T391-V396 HydrophobicContact CG2-CG2 3.94Å; T391-V396 PolarHBondContact O-N 3.05Å
392M94.1Very high93.3Very high4 Ų470.2 Ų70.22%0.0238%0.377CS..Iπ-helixtrans-60.6-52.5176.2-75.2-61.7163.900111.8V290 T293 I370 F378 H388 K394 V396 L397V290-M392 HydrophobicContact CG1-CG 4.47Å; T293-M392 WeakPolarHBondContact OG1-CE 3.5Å; I370-M392 HydrophobicContact CG2-CE 4.28Å; F378-M392 HydrophobicContact CE1-CE 3.75Å; F378-M392 HydrophobicContact CZ-CE 4.48Å; H388-M392 WeakPolarHBondContact CE1-CE 3.41Å; H388-M392 WeakPolarHBondContact O-CB 3.06Å; H388-M392 WeakPolarHBondContact O-CG 3.33Å; H388-M392 PolarHBondContact O-N 3.13Å; M392-K394 PolarHBondContact O-N 3.25Å; M392-V396 HydrophobicContact CE-CG1 4.35Å; M392-V396 HydrophobicContact SD-CB 3.84Å; M392-V396 HydrophobicContact SD-CG1 3.79Å; M392-V396 HydrophobicContact SD-CG2 4.32Å; M392-L397 HydrophobicContact CB-CD1 4.42Å; M392-L397 HydrophobicContact CB-CG 4.44Å; M392-L397 WeakPolarHBondContact O-CB 3.41Å; M392-L397 VanDerWaalsContact O-CG 3.28Å; M392-L397 WeakPolarHBondContact O-CG 3.35Å; M392-L397 PolarHBondContact O-N 3.29Å
393R94.6Very high93.1Very high174 Ų17467.3 Ų67.366%0.65737%0.366SS*.Iπ-helixtrans-68.5-37.4-174.6-168.8179.275.8-178.55.7113.8G389 Q390G389-R393 VanDerWaalsContact O-CB 3.25Å; G389-R393 WeakPolarHBondContact O-CB 3.47Å; G389-R393 PolarHBondContact O-N 2.91Å; Q390-R393 PolarHBondContact O-N 3.41Å
394K94.6Very high93Very high132 Ų13263.4 Ų63.457%0.57433%0.333SS*.Iπ-helixtrans-102.6-26-169.8-64.3-173176.5-175.20114.4M386 Q390 M392M386-K394 HydrophobicContact CE-CB 3.97Å; M386-K394 HydrophobicContact CE-CD 4.14Å; Q390-K394 WeakPolarHBondContact O-CB 3.29Å; Q390-K394 PolarHBondContact O-N 3.01Å; M392-K394 PolarHBondContact O-N 3.25Å
395V94.4Very high92.8Very high29 Ų2959.9 Ų59.918%0.17632%0.315CS..Iπ-helixtrans-114.2-57.3-173.9-176.20000110.4Q377 A381 M386 T391 Q399Q377-V395 HydrophobicContact CB-CG1 4.21Å; A381-V395 HydrophobicContact CB-CG2 4.38Å; M386-V395 HydrophobicContact CE-CG2 3.93Å; M386-V395 HydrophobicContact SD-CG2 4.24Å; T391-V395 WeakPolarHBondContact O-CA 3.47Å; T391-V395 WeakPolarHBondContact O-CB 3.41Å; T391-V395 PolarHBondContact O-N 2.77Å; V395-Q399 WeakPolarHBondContact O-CG 3.24Å; V395-Q399 PolarHBondContact O-NE2 3.17Å
396V95Very high92.7Very high0 Ų059.3 Ų59.30%030%0.301CS..Iπ-helixtrans-82.3-55.3-166.7179.80000112I370 V373 F378 T391 M392 Q399 V400I370-V396 HydrophobicContact CG1-CG1 4.36Å; I370-V396 HydrophobicContact CG2-CG1 4.03Å; V373-V396 HydrophobicContact CG2-CG1 4.22Å; F378-V396 HydrophobicContact CD1-CG2 4.12Å; F378-V396 HydrophobicContact CE1-CG1 4.35Å; F378-V396 HydrophobicContact CE1-CG2 3.55Å; F378-V396 HydrophobicContact CE2-CG2 4.14Å; F378-V396 HydrophobicContact CZ-CB 4.39Å; F378-V396 HydrophobicContact CZ-CG1 3.87Å; F378-V396 HydrophobicContact CZ-CG2 3.56Å; T391-V396 HydrophobicContact CG2-CG2 3.94Å; T391-V396 PolarHBondContact O-N 3.05Å; M392-V396 HydrophobicContact CE-CG1 4.35Å; M392-V396 HydrophobicContact SD-CB 3.84Å; M392-V396 HydrophobicContact SD-CG1 3.79Å; M392-V396 HydrophobicContact SD-CG2 4.32Å; V396-Q399 WeakPolarHBondContact O-CA 3.42Å; V396-Q399 WeakPolarHBondContact O-CB 3.38Å; V396-Q399 PolarHBondContact O-N 2.89Å; V396-V400 HydrophobicContact CG1-CG2 3.79Å; V396-V400 WeakPolarHBondContact O-CG2 3.3Å; V396-V400 PolarHBondContact O-N 2.98Å
397L94.3Very high92.7Very high40 Ų4059.2 Ų59.221%0.20931%0.305CS..Hα-helixtrans-57.9-40.2-175.3-75.1176.3000114.4L286 V290 M392 Q399 V400 L401L286-L397 HydrophobicContact CD2-CD2 4.33Å; V290-L397 HydrophobicContact CG2-CD1 4.06Å; V290-L397 HydrophobicContact CG2-CD2 3.61Å; V290-L397 HydrophobicContact CG2-CG 4.22Å; M392-L397 HydrophobicContact CB-CD1 4.42Å; M392-L397 HydrophobicContact CB-CG 4.44Å; M392-L397 WeakPolarHBondContact O-CB 3.41Å; M392-L397 VanDerWaalsContact O-CG 3.28Å; M392-L397 WeakPolarHBondContact O-CG 3.35Å; M392-L397 PolarHBondContact O-N 3.29Å; L397-Q399 VanDerWaalsContact C-N 3.26Å; L397-Q399 PolarHBondContact O-N 2.54Å; L397-V400 PolarHBondContact O-N 2.83Å; L397-L401 WeakPolarHBondContact O-CB 3.47Å; L397-L401 VanDerWaalsContact O-CG 3.32Å; L397-L401 WeakPolarHBondContact O-CG 3.23Å; L397-L401 PolarHBondContact O-N 3.46Å
398P93.6Very high92.9Very high69 Ų6956.2 Ų56.245%0.44829%0.287SS..Hα-helixtrans-58.3-38.5174.3-2636000113.1R402P398-R402 PolarHBondContact O-N 3.07Å
399Q94.4Very high93.2Very high72 Ų7254.2 Ų54.234%0.33628%0.281SS..Hα-helixtrans-71.7-42.7176-64.1179.278.100111.2V373 V395 V396 L397 L401 R402 N403V373-Q399 HydrophobicContact CG2-CB 4.15Å; V395-Q399 WeakPolarHBondContact O-CG 3.24Å; V395-Q399 PolarHBondContact O-NE2 3.17Å; V396-Q399 WeakPolarHBondContact O-CA 3.42Å; V396-Q399 WeakPolarHBondContact O-CB 3.38Å; V396-Q399 PolarHBondContact O-N 2.89Å; L397-Q399 VanDerWaalsContact C-N 3.26Å; L397-Q399 PolarHBondContact O-N 2.54Å; Q399-L401 PolarHBondContact O-N 2.95Å; Q399-R402 WeakPolarHBondContact O-CB 3.48Å; Q399-R402 PolarHBondContact O-N 3.08Å; Q399-N403 PolarHBondContact O-N 2.68Å; Q399-N403 PolarHBondContact O-OD1 2.77Å
400V94.3Very high93.4Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-59.4-47.1177.2174.70000111.1V366 I370 V373 V396 L397 R402 N403 I404V366-V400 HydrophobicContact CG1-CG1 4.28Å; I370-V400 HydrophobicContact CB-CG2 4.28Å; I370-V400 HydrophobicContact CG1-CG1 4.27Å; I370-V400 HydrophobicContact CG1-CG2 3.64Å; V373-V400 HydrophobicContact CG2-CG2 4.21Å; V396-V400 HydrophobicContact CG1-CG2 3.79Å; V396-V400 WeakPolarHBondContact O-CG2 3.3Å; V396-V400 PolarHBondContact O-N 2.98Å; L397-V400 PolarHBondContact O-N 2.83Å; V400-R402 PolarHBondContact O-N 3.17Å; V400-N403 PolarHBondContact O-N 3.24Å; V400-I404 HydrophobicContact CG1-CD1 4.33Å; V400-I404 HydrophobicContact CG1-CG2 3.95Å; V400-I404 WeakPolarHBondContact O-CG1 3.28Å; V400-I404 WeakPolarHBondContact O-CG2 3.39Å; V400-I404 PolarHBondContact O-N 3.45Å
401L92.3Very high93.5Very high88 Ų8853.1 Ų53.146%0.46127%0.265SS..Hα-helixtrans-57.7-36.5178.3-73.3173.2000112.4L286 L397 Q399 L405L286-L401 HydrophobicContact CD1-CD2 3.7Å; L286-L401 HydrophobicContact CD2-CD2 3.89Å; L286-L401 HydrophobicContact CG-CD2 4.44Å; L397-L401 WeakPolarHBondContact O-CB 3.47Å; L397-L401 VanDerWaalsContact O-CG 3.32Å; L397-L401 WeakPolarHBondContact O-CG 3.23Å; L397-L401 PolarHBondContact O-N 3.46Å; Q399-L401 PolarHBondContact O-N 2.95Å; L401-L405 PolarHBondContact O-N 3.21Å
402R88.6Confident93.7Very high140 Ų14054.9 Ų54.953%0.52828%0.275SS..Hα-helixtrans-68.7-44.4173.5173.7165.9-173.4-169.1-1.3111.7P398 Q399 V400 M473P398-R402 PolarHBondContact O-N 3.07Å; Q399-R402 WeakPolarHBondContact O-CB 3.48Å; Q399-R402 PolarHBondContact O-N 3.08Å; V400-R402 PolarHBondContact O-N 3.17Å; R402-M473 HydrophobicContact CB-CE 4.03Å; R402-M473 HydrophobicContact CG-CE 3.59Å; R402-M473 PolarHBondContact NH2-O 3.39Å
403N87.6Confident93.8Very high81 Ų8155.6 Ų55.643%0.43328%0.279SS..Hα-helixtrans-71.9-33.1-175.1-66.4-7.2000113.2Q399 V400Q399-N403 PolarHBondContact O-N 2.68Å; Q399-N403 PolarHBondContact O-OD1 2.77Å; V400-N403 PolarHBondContact O-N 3.24Å
404I92.9Very high94Very high6 Ų650 Ų503%0.03126%0.262CS..Hα-helixtrans-88.4-14.1-177.771.9179.7000113.7L286 I365 V366 V400 P406 A407 T408L286-I404 HydrophobicContact CD2-CD1 4.08Å; I365-I404 HydrophobicContact CG2-CB 3.87Å; I365-I404 HydrophobicContact CG2-CG2 3.88Å; V366-I404 HydrophobicContact CG2-CD1 3.68Å; V400-I404 HydrophobicContact CG1-CD1 4.33Å; V400-I404 HydrophobicContact CG1-CG2 3.95Å; V400-I404 WeakPolarHBondContact O-CG1 3.28Å; V400-I404 WeakPolarHBondContact O-CG2 3.39Å; V400-I404 PolarHBondContact O-N 3.45Å; I404-P406 VanDerWaalsContact C-CD 3.45Å; I404-A407 CarbonylContact O-C 3.58Å; I404-A407 WeakPolarHBondContact O-CA 3.31Å; I404-A407 WeakPolarHBondContact O-CB 3.26Å; I404-A407 PolarHBondContact O-N 3.3Å; I404-T408 PolarHBondContact O-N 3.49Å; I404-T408 PolarHBondContact O-OG1 2.79Å
405L91.4Very high94.1Very high59 Ų5943.9 Ų43.931%0.30924%0.235SC..Hα-helixtrans-54.2-42.6-174.9-170.772.2000113.8L401 A407 T408 G409 V469 M473L401-L405 PolarHBondContact O-N 3.21Å; L405-A407 VanDerWaalsContact C-N 3.28Å; L405-A407 PolarHBondContact O-N 3.4Å; L405-T408 PolarHBondContact O-N 2.62Å; L405-G409 PolarHBondContact O-N 3.2Å; L405-V469 HydrophobicContact CD2-CG1 3.63Å; L405-M473 HydrophobicContact CB-CE 4.45Å; L405-M473 HydrophobicContact CD2-CE 3.77Å; L405-M473 HydrophobicContact CD2-SD 3.19Å; L405-M473 WeakPolarHBondContact CD2-SD 3.4Å
406P91.7Very high94.4Very high48 Ų4842.6 Ų42.631%0.31223%0.227SC..Hα-helixtrans-55.4-44.2173.4-26.536.2000112.5I404 G409 N410 E470I404-P406 VanDerWaalsContact C-CD 3.45Å; P406-G409 PolarHBondContact O-N 3.13Å; P406-N410 PolarHBondContact O-N 3.33Å; P406-N410 PolarHBondContact O-ND2 2.86Å; P406-E470 WeakPolarHBondContact CA-OE1 3.48Å; P406-E470 HydrophobicContact CB-CG 4.39Å; P406-E470 VanDerWaalsContact CB-OE1 3.32Å; P406-E470 WeakPolarHBondContact CB-OE1 3.37Å; P406-E470 HydrophobicContact CG-CG 4.2Å
407A94.2Very high94.5Very high28 Ų2847.2 Ų47.223%0.23125%0.247CC..Hα-helixtrans-69.7-39.9179.800000112I365 I404 L405 G409 N410 E411I365-A407 HydrophobicContact CD1-CB 4.09Å; I365-A407 HydrophobicContact CG1-CB 4.41Å; I365-A407 HydrophobicContact CG2-CB 3.64Å; I404-A407 CarbonylContact O-C 3.58Å; I404-A407 WeakPolarHBondContact O-CA 3.31Å; I404-A407 WeakPolarHBondContact O-CB 3.26Å; I404-A407 PolarHBondContact O-N 3.3Å; L405-A407 VanDerWaalsContact C-N 3.28Å; L405-A407 PolarHBondContact O-N 3.4Å; A407-G409 VanDerWaalsContact C-N 3.29Å; A407-G409 PolarHBondContact O-N 3.24Å; A407-N410 PolarHBondContact O-N 3.13Å; A407-E411 PolarHBondContact O-N 3.02Å
408T95.4Very high94.6Very high20 Ų2048.2 Ų48.212%0.12325%0.253CS..Hα-helixtrans-61.1-38.3172.5-58.50000112T278 T282 M362 I404 L405 E411 L412T278-T408 HydrophobicContact CG2-CG2 3.92Å; T282-T408 HydrophobicContact CG2-CG2 4.32Å; T282-T408 VanDerWaalsContact OG1-CG2 3.28Å; T282-T408 WeakPolarHBondContact OG1-CG2 3.13Å; M362-T408 HydrophobicContact SD-CG2 4.33Å; I404-T408 PolarHBondContact O-N 3.49Å; I404-T408 PolarHBondContact O-OG1 2.79Å; L405-T408 PolarHBondContact O-N 2.62Å; T408-E411 PolarHBondContact O-N 3.32Å; T408-L412 PolarHBondContact O-N 2.84Å; T408-L412 VanDerWaalsContact O-N 3.11Å
409G94.7Very high94.8Very high13 Ų1345 Ų4513%0.13423%0.232CC..Hα-helixtrans-64.4-40.2173.500000113.2L405 P406 A407 L412 V413L405-G409 PolarHBondContact O-N 3.2Å; P406-G409 PolarHBondContact O-N 3.13Å; A407-G409 VanDerWaalsContact C-N 3.29Å; A407-G409 PolarHBondContact O-N 3.24Å; G409-L412 WeakPolarHBondContact O-CB 3.34Å; G409-L412 PolarHBondContact O-N 3.36Å; G409-V413 PolarHBondContact O-N 2.93Å
410N94.4Very high95Very high84 Ų8443.1 Ų43.145%0.44923%0.227SC..Hα-helixtrans-64-40.5174.4-71.5-35.8000111.8P406 A407 L412 V413 I414P406-N410 PolarHBondContact O-N 3.33Å; P406-N410 PolarHBondContact O-ND2 2.86Å; A407-N410 PolarHBondContact O-N 3.13Å; N410-L412 VanDerWaalsContact C-N 3.3Å; N410-L412 PolarHBondContact O-N 3.3Å; N410-V413 PolarHBondContact O-N 3.13Å; N410-V413 VanDerWaalsContact O-N 3.12Å; N410-I414 WeakPolarHBondContact O-CG1 3.31Å; N410-I414 PolarHBondContact O-N 2.81Å
411E96.8Very high95Very high19 Ų1944.8 Ų44.89%0.08924%0.237CC..Hα-helixtrans-60.2-37.8173.5-74-56.1136.400112.5T358 M362 I365 A407 T408 V413 I414 N415T358-E411 HydrophobicContact CG2-CB 4.35Å; M362-E411 HydrophobicContact CE-CB 4.28Å; M362-E411 HydrophobicContact CE-CG 3.29Å; M362-E411 HydrophobicContact SD-CG 4.2Å; I365-E411 HydrophobicContact CD1-CG 4.49Å; A407-E411 PolarHBondContact O-N 3.02Å; T408-E411 PolarHBondContact O-N 3.32Å; E411-V413 VanDerWaalsContact C-N 3.33Å; E411-V413 PolarHBondContact O-N 3.35Å; E411-I414 PolarHBondContact O-N 3.21Å; E411-N415 WeakPolarHBondContact O-CB 3.38Å; E411-N415 PolarHBondContact O-N 3.41Å
412L97.7Very high95.2Very high47 Ų4740.6 Ų40.625%0.24622%0.215CC..Hα-helixtrans-60.7-43.9173.5179.262.1000111.7A274 I275 T278 T408 G409 N410 I414 N415 I416A274-L412 HydrophobicContact CB-CD1 3.99Å; I275-L412 HydrophobicContact CG1-CD1 3.97Å; T278-L412 HydrophobicContact CG2-CB 4.19Å; T278-L412 WeakPolarHBondContact OG1-CA 3.39Å; T408-L412 PolarHBondContact O-N 2.84Å; T408-L412 VanDerWaalsContact O-N 3.11Å; G409-L412 WeakPolarHBondContact O-CB 3.34Å; G409-L412 PolarHBondContact O-N 3.36Å; N410-L412 VanDerWaalsContact C-N 3.3Å; N410-L412 PolarHBondContact O-N 3.3Å; L412-I414 VanDerWaalsContact C-N 3.32Å; L412-I414 PolarHBondContact O-N 3.08Å; L412-N415 PolarHBondContact O-N 3.05Å; L412-I416 HydrophobicContact CG-CD1 4.41Å; L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.31Å; L412-I416 PolarHBondContact O-N 3.46Å
413V97.9Very high95.3Very high19 Ų1934.4 Ų34.412%0.11519%0.193CC..Hα-helixtrans-65.2-37.4177.9176.50000111.4G409 N410 E411 K417 T459 A462G409-V413 PolarHBondContact O-N 2.93Å; N410-V413 PolarHBondContact O-N 3.13Å; N410-V413 VanDerWaalsContact O-N 3.12Å; E411-V413 VanDerWaalsContact C-N 3.33Å; E411-V413 PolarHBondContact O-N 3.35Å; V413-K417 VanDerWaalsContact O-CE 3.32Å; V413-K417 WeakPolarHBondContact O-CE 3.41Å; V413-T459 HydrophobicContact CG1-CG2 4.08Å; V413-A462 HydrophobicContact CG2-CB 3.97Å
414I97.3Very high95.3Very high56 Ų5632.4 Ų32.429%0.28718%0.182SC..Hα-helixtrans-63.5-53.9173.8-69166.3000109.7N410 E411 L412 I416 K417 D418N410-I414 WeakPolarHBondContact O-CG1 3.31Å; N410-I414 PolarHBondContact O-N 2.81Å; E411-I414 PolarHBondContact O-N 3.21Å; L412-I414 VanDerWaalsContact C-N 3.32Å; L412-I414 PolarHBondContact O-N 3.08Å; I414-I416 VanDerWaalsContact C-N 3.28Å; I414-I416 PolarHBondContact O-N 3.2Å; I414-K417 WeakPolarHBondContact O-CB 3.34Å; I414-K417 PolarHBondContact O-N 2.92Å; I414-D418 VanDerWaalsContact CG2-OD2 3.25Å; I414-D418 WeakPolarHBondContact CG2-OD2 3.32Å; I414-D418 PolarHBondContact O-N 2.8Å
415N98.4Very high95.2Very high3 Ų332.1 Ų32.12%0.01618%0.181CC..Hα-helixtrans-57.9-37-179.8-79.4-14.6000113.2A274 T278 V354 T358 E411 L412 K417 D418 T419A274-N415 HydrophobicContact CB-CB 3.93Å; T278-N415 PolarHBondContact OG1-ND2 3.08Å; V354-N415 HydrophobicContact CG1-CB 4.47Å; T358-N415 PolarHBondContact OG1-ND2 3.02Å; T358-N415 PolarHBondContact OG1-OD1 3.33Å; E411-N415 WeakPolarHBondContact O-CB 3.38Å; E411-N415 PolarHBondContact O-N 3.41Å; L412-N415 PolarHBondContact O-N 3.05Å; N415-K417 VanDerWaalsContact C-N 3.27Å; N415-K417 PolarHBondContact O-N 2.89Å; N415-D418 PolarHBondContact O-N 3.41Å; N415-T419 WeakPolarHBondContact O-CG2 3.23Å; N415-T419 PolarHBondContact O-N 3.26Å
416I98.7Very high95.1Very high3 Ų329.3 Ų29.32%0.01517%0.166CC..Hα-helixtrans-53.7-47.6173.7-73.7167.8000110.1T270 L271 A274 L412 I414 T419 Y455 L458 T459 A462T270-I416 HydrophobicContact CG2-CG2 4.12Å; T270-I416 WeakPolarHBondContact CG2-O 3.49Å; L271-I416 HydrophobicContact CD2-CD1 4.14Å; L271-I416 HydrophobicContact CD2-CG1 4.29Å; A274-I416 HydrophobicContact CB-CB 4.42Å; A274-I416 HydrophobicContact CB-CG1 3.67Å; L412-I416 HydrophobicContact CG-CD1 4.41Å; L412-I416 VanDerWaalsContact O-CG1 3.31Å; L412-I416 WeakPolarHBondContact O-CG1 3.31Å; L412-I416 PolarHBondContact O-N 3.46Å; I414-I416 VanDerWaalsContact C-N 3.28Å; I414-I416 PolarHBondContact O-N 3.2Å; I416-T419 PolarHBondContact O-OG1 3.22Å; I416-Y455 HydrophobicContact CG2-CD1 4.22Å; I416-Y455 HydrophobicContact CG2-CE1 4.44Å; I416-Y455 VanDerWaalsContact O-CE1 3.3Å; I416-Y455 WeakPolarHBondContact O-CE1 3.39Å; I416-L458 HydrophobicContact CG2-CB 4.1Å; I416-L458 HydrophobicContact CG2-CD1 4.41Å; I416-T459 HydrophobicContact CB-CG2 4.37Å; I416-T459 HydrophobicContact CG2-CG2 3.85Å; I416-A462 HydrophobicContact CD1-CB 4Å
417K98.1Very high95.1Very high97 Ų9727.1 Ų27.142%0.42215%0.152SC..Hα-helixtrans-73.1-43.5-180-60.1173.5-68.91700111.7V413 I414 N415 T419 S420 T459V413-K417 VanDerWaalsContact O-CE 3.32Å; V413-K417 WeakPolarHBondContact O-CE 3.41Å; I414-K417 WeakPolarHBondContact O-CB 3.34Å; I414-K417 PolarHBondContact O-N 2.92Å; N415-K417 VanDerWaalsContact C-N 3.27Å; N415-K417 PolarHBondContact O-N 2.89Å; K417-T419 VanDerWaalsContact C-N 3.25Å; K417-T419 PolarHBondContact O-N 2.95Å; K417-S420 WeakPolarHBondContact O-CB 3.25Å; K417-S420 PolarHBondContact O-N 2.93Å; K417-S420 PolarHBondContact O-OG 3.37Å; K417-T459 HydrophobicContact CD-CG2 4.22Å; K417-T459 HydrophobicContact CG-CG2 3.73Å
418D97.1Very high95Very high61 Ų6127.3 Ų27.333%0.32615%0.151SC..Hα-helixtrans-75-16.4-170-70.47.2000112.1M325 I414 N415 S420 V421M325-D418 HydrophobicContact CE-CB 3.59Å; M325-D418 WeakPolarHBondContact CE-O 3.35Å; I414-D418 VanDerWaalsContact CG2-OD2 3.25Å; I414-D418 WeakPolarHBondContact CG2-OD2 3.32Å; I414-D418 PolarHBondContact O-N 2.8Å; N415-D418 PolarHBondContact O-N 3.41Å; D418-S420 PolarHBondContact O-N 3.1Å; D418-V421 WeakPolarHBondContact O-CG1 3.11Å; D418-V421 WeakPolarHBondContact O-CG2 3.45Å; D418-V421 PolarHBondContact O-N 2.93Å
419T97.8Very high95Very high1 Ų126.4 Ų26.41%0.00615%0.145CC..G310 helixtrans-54.3-26.3168.556.20000113.2T270 L273 N415 I416 K417 V421 L422 E429T270-T419 WeakPolarHBondContact CG2-OG1 3.13Å; L273-T419 HydrophobicContact CB-CG2 3.67Å; L273-T419 HydrophobicContact CD1-CG2 4.1Å; N415-T419 WeakPolarHBondContact O-CG2 3.23Å; N415-T419 PolarHBondContact O-N 3.26Å; I416-T419 PolarHBondContact O-OG1 3.22Å; K417-T419 VanDerWaalsContact C-N 3.25Å; K417-T419 PolarHBondContact O-N 2.95Å; T419-V421 PolarHBondContact O-N 2.79Å; T419-V421 VanDerWaalsContact O-N 3.14Å; T419-L422 HydrophobicContact CG2-CD1 4.34Å; T419-L422 VanDerWaalsContact O-CB 3.24Å; T419-L422 WeakPolarHBondContact O-CB 3.17Å; T419-L422 PolarHBondContact O-N 3.44Å; T419-E429 WeakPolarHBondContact O-CG 3.31Å
420S96.8Very high95.1Very high32 Ų3225.8 Ų25.822%0.22414%0.139CC..G310 helixtrans-57.1-26.6174.861.50000113.9K417 D418 L422 S423K417-S420 WeakPolarHBondContact O-CB 3.25Å; K417-S420 PolarHBondContact O-N 2.93Å; K417-S420 PolarHBondContact O-OG 3.37Å; D418-S420 PolarHBondContact O-N 3.1Å; S420-L422 PolarHBondContact O-N 3.14Å; S420-S423 VanDerWaalsContact O-CB 3.32Å; S420-S423 WeakPolarHBondContact O-CB 3.18Å; S420-S423 PolarHBondContact O-N 3.08Å; S420-S423 PolarHBondContact O-OG 2.82Å
421V95.8Very high95.1Very high35 Ų3525 Ų2521%0.21213%0.132CC..G310 helixtrans-69.7-22.9177.2-46.50000112.2M325 I326 D418 T419 S423 I424M325-V421 HydrophobicContact CB-CG2 4.09Å; M325-V421 HydrophobicContact CE-CG2 3.31Å; M325-V421 HydrophobicContact CG-CG2 3.91Å; M325-V421 HydrophobicContact SD-CG2 4.44Å; I326-V421 HydrophobicContact CB-CB 4.11Å; I326-V421 HydrophobicContact CG1-CB 4.49Å; D418-V421 WeakPolarHBondContact O-CG1 3.11Å; D418-V421 WeakPolarHBondContact O-CG2 3.45Å; D418-V421 PolarHBondContact O-N 2.93Å; T419-V421 PolarHBondContact O-N 2.79Å; T419-V421 VanDerWaalsContact O-N 3.14Å; V421-S423 PolarHBondContact O-N 3.39Å; V421-I424 WeakPolarHBondContact O-CG2 3.34Å; V421-I424 PolarHBondContact O-N 2.85Å
422L95.6Very high94.9Very high0 Ų024.1 Ų24.10%013%0.128CC..G310 helixtrans-71.9-7178.3-59.2165.7000112.4L273 S329 A350 I353 V354 T419 S420 I424 I425 S426 V427L273-L422 HydrophobicContact CD1-CD1 3.74Å; S329-L422 WeakPolarHBondContact OG-CD2 3.36Å; A350-L422 HydrophobicContact CB-CD1 3.83Å; A350-L422 HydrophobicContact CB-CD2 4.39Å; I353-L422 HydrophobicContact CD1-CD2 4.44Å; I353-L422 HydrophobicContact CG2-CD2 4.25Å; V354-L422 HydrophobicContact CG2-CD1 3.8Å; T419-L422 HydrophobicContact CG2-CD1 4.34Å; T419-L422 VanDerWaalsContact O-CB 3.24Å; T419-L422 WeakPolarHBondContact O-CB 3.17Å; T419-L422 PolarHBondContact O-N 3.44Å; S420-L422 PolarHBondContact O-N 3.14Å; L422-I424 PolarHBondContact O-N 2.84Å; L422-I425 HydrophobicContact CD2-CD1 4.28Å; L422-I425 WeakPolarHBondContact O-CG1 3.19Å; L422-I425 PolarHBondContact O-N 3.13Å; L422-I425 VanDerWaalsContact O-N 3.14Å; L422-S426 PolarHBondContact O-N 3.45Å; L422-V427 HydrophobicContact CB-CB 3.97Å; L422-V427 HydrophobicContact CB-CG1 4.44Å; L422-V427 HydrophobicContact CB-CG2 4.08Å; L422-V427 PolarHBondContact O-N 3.18Å
423S90.8Very high94.5Very high11 Ų1122.1 Ų22.18%0.07712%0.117CC..G310 helixtrans-59.3-22.6169.664.60000112.6S420 V421 I425 S426S420-S423 VanDerWaalsContact O-CB 3.32Å; S420-S423 WeakPolarHBondContact O-CB 3.18Å; S420-S423 PolarHBondContact O-N 3.08Å; S420-S423 PolarHBondContact O-OG 2.82Å; V421-S423 PolarHBondContact O-N 3.39Å; S423-I425 VanDerWaalsContact C-N 3.29Å; S423-I425 PolarHBondContact O-N 2.9Å; S423-S426 VanDerWaalsContact O-CA 3.29Å; S423-S426 WeakPolarHBondContact O-CA 3.18Å; S423-S426 PolarHBondContact O-N 3.11Å
424I88.8Confident94.2Very high39 Ų3921.2 Ų21.220%0.211%0.112CC..G310 helixtrans-62.5-33.5174.3-168.657.4000113.2I326 V421 L422 S426I326-I424 HydrophobicContact CD1-CB 4.36Å; I326-I424 HydrophobicContact CG1-CB 3.96Å; I326-I424 HydrophobicContact CG1-CG1 4.25Å; I326-I424 HydrophobicContact CG1-CG2 3.85Å; V421-I424 WeakPolarHBondContact O-CG2 3.34Å; V421-I424 PolarHBondContact O-N 2.85Å; L422-I424 PolarHBondContact O-N 2.84Å; I424-S426 VanDerWaalsContact C-N 3.29Å
425I90.2Very high93.6Very high0 Ų020.4 Ų20.40%011%0.106CC..G310 helixtrans-97.815.3172.158.3165.4000111.3Y333 Y334 R346 I353 L422 S423 V427Y333-I425 HydrophobicContact CD1-CB 3.84Å; Y333-I425 HydrophobicContact CD1-CG2 3.69Å; Y333-I425 HydrophobicContact CE1-CB 4.39Å; Y333-I425 HydrophobicContact CG-CB 4.13Å; Y333-I425 HydrophobicContact CG-CD1 4.31Å; Y333-I425 HydrophobicContact CG-CG2 3.89Å; Y334-I425 HydrophobicContact CE2-CG2 4.17Å; R346-I425 WeakPolarHBondContact CD-O 3.28Å; I353-I425 HydrophobicContact CD1-CD1 3.97Å; L422-I425 HydrophobicContact CD2-CD1 4.28Å; L422-I425 WeakPolarHBondContact O-CG1 3.19Å; L422-I425 PolarHBondContact O-N 3.13Å; L422-I425 VanDerWaalsContact O-N 3.14Å; S423-I425 VanDerWaalsContact C-N 3.29Å; S423-I425 PolarHBondContact O-N 2.9Å; I425-V427 VanDerWaalsContact C-N 3.31Å; I425-V427 HydrophobicContact CD1-CG2 3.85Å; I425-V427 HydrophobicContact CG1-CG2 3.8Å; I425-V427 PolarHBondContact O-N 2.89Å
426S88.8Confident92.9Very high0 Ų020.4 Ų20.40%011%0.107CC..THydrogen-bonded Turntrans56.741.4174.3-55.70000113.5K52 T53 E54 R346 L422 S423 I424K52-S426 WeakPolarHBondContact O-CB 3.42Å; T53-S426 WeakPolarHBondContact CA-OG 3.46Å; E54-S426 PolarHBondContact N-OG 3.31Å; R346-S426 VanDerWaalsContact CD-O 3.3Å; R346-S426 WeakPolarHBondContact CD-O 3.5Å; R346-S426 PolarHBondContact NH1-O 3.37Å; L422-S426 PolarHBondContact O-N 3.45Å; S423-S426 VanDerWaalsContact O-CA 3.29Å; S423-S426 WeakPolarHBondContact O-CA 3.18Å; S423-S426 PolarHBondContact O-N 3.11Å; I424-S426 VanDerWaalsContact C-N 3.29Å
427V92.6Very high92.2Very high2 Ų220.3 Ų20.31%0.01211%0.106CC..  trans-71.6129.3168.4171.40000108.6M269 L273 R346 A350 L422 I425 E429 F432M269-V427 HydrophobicContact CE-CG1 3.82Å; M269-V427 HydrophobicContact CG-CG1 4.46Å; L273-V427 HydrophobicContact CD1-CG1 3.84Å; R346-V427 HydrophobicContact CB-CG2 4.01Å; A350-V427 HydrophobicContact CB-CG1 4.26Å; A350-V427 HydrophobicContact CB-CG2 3.86Å; L422-V427 HydrophobicContact CB-CB 3.97Å; L422-V427 HydrophobicContact CB-CG1 4.44Å; L422-V427 HydrophobicContact CB-CG2 4.08Å; L422-V427 PolarHBondContact O-N 3.18Å; I425-V427 VanDerWaalsContact C-N 3.31Å; I425-V427 HydrophobicContact CD1-CG2 3.85Å; I425-V427 HydrophobicContact CG1-CG2 3.8Å; I425-V427 PolarHBondContact O-N 2.89Å; V427-E429 HydrophobicContact CG1-CB 4.38Å; V427-E429 HydrophobicContact CG1-CG 4.36Å; V427-E429 PolarHBondContact O-N 2.82Å; V427-F432 VanDerWaalsContact O-CB 3.24Å; V427-F432 WeakPolarHBondContact O-CB 3.43Å; V427-F432 WeakPolarHBondContact O-CG 3.44Å
428S90.9Very high91.4Very high32 Ų3215.7 Ų15.722%0.2249%0.086CC..  trans-74.247.4-175.8-65.50000114.1D25D25-S428 PolarHBondContact OD2-OG 3.38Å
429E95.1Very high90.2Very high0 Ų013.1 Ų13.10%07%0.074CC..SBendtrans-81.3176.6173.560.667.5-13100112.3M269 T419 V427 F431 F432 Q433 Y455M269-E429 HydrophobicContact CG-CB 4.43Å; T419-E429 WeakPolarHBondContact O-CG 3.31Å; V427-E429 HydrophobicContact CG1-CB 4.38Å; V427-E429 HydrophobicContact CG1-CG 4.36Å; V427-E429 PolarHBondContact O-N 2.82Å; E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 VanDerWaalsContact CD-N 3.32Å; E429-F431 PolarHBondContact O-N 3.09Å; E429-F431 WeakPolarHBondContact OE1-CB 3.39Å; E429-F431 PolarHBondContact OE1-N 3Å; E429-F431 WeakPolarHBondContact OE2-CB 3.22Å; E429-F431 PolarHBondContact OE2-N 3Å; E429-F432 PolarHBondContact O-N 2.95Å; E429-F432 WeakPolarHBondContact OE1-CB 3.46Å; E429-F432 PolarHBondContact OE1-N 2.98Å; E429-Q433 WeakPolarHBondContact O-CG 2.81Å; E429-Q433 PolarHBondContact O-N 3.09Å; E429-Y455 PolarHBondContact OE2-OH 2.88Å
430L97.1Very high89Confident0 Ų014.2 Ų14.20%08%0.081CC..Hα-helixtrans-55-43.1-170.8179.460.5000114F263 G266 T267 T270 Q433 G434 I451 I454 Y455 L458F263-L430 HydrophobicContact CB-CD1 4.32Å; G266-L430 PolarHBondContact O-N 3.27Å; T267-L430 WeakPolarHBondContact OG1-CD1 3.48Å; T270-L430 WeakPolarHBondContact OG1-CB 3.21Å; T270-L430 PolarHBondContact OG1-N 2.76Å; T270-L430 VanDerWaalsContact OG1-N 3.15Å; L430-Q433 PolarHBondContact O-N 3.38Å; L430-G434 PolarHBondContact O-N 3.43Å; L430-I451 HydrophobicContact CD1-CD1 3.56Å; L430-I451 HydrophobicContact CD2-CG2 4.49Å; L430-I451 HydrophobicContact CG-CD1 3.99Å; L430-I451 HydrophobicContact CG-CG2 4.16Å; L430-I454 HydrophobicContact CD1-CD1 4.24Å; L430-I454 HydrophobicContact CD1-CG2 4.26Å; L430-I454 HydrophobicContact CD2-CB 3.94Å; L430-I454 HydrophobicContact CD2-CG2 3.42Å; L430-I454 VanDerWaalsContact CD2-CG2 3.42Å; L430-I454 HydrophobicContact CG-CG2 4.48Å; L430-Y455 HydrophobicContact CB-CE2 4.32Å; L430-Y455 HydrophobicContact CD2-CD1 4.32Å; L430-Y455 HydrophobicContact CD2-CD2 3.9Å; L430-Y455 HydrophobicContact CD2-CE1 4.21Å; L430-Y455 HydrophobicContact CD2-CE2 3.8Å; L430-Y455 HydrophobicContact CD2-CG 4.16Å; L430-Y455 HydrophobicContact CG-CE2 4.08Å; L430-L458 HydrophobicContact CD2-CD1 4.3Å
431F95.6Very high87.8Confident68 Ų6813.2 Ų13.230%0.2987%0.073SC..Hα-helixtrans-70.5-43.4-178.4-176.1-117.4000111.9E429 Q433 G434 K435 I451 Y455E429-F431 VanDerWaalsContact C-N 3.34Å; E429-F431 VanDerWaalsContact CD-N 3.32Å; E429-F431 PolarHBondContact O-N 3.09Å; E429-F431 WeakPolarHBondContact OE1-CB 3.39Å; E429-F431 PolarHBondContact OE1-N 3Å; E429-F431 WeakPolarHBondContact OE2-CB 3.22Å; E429-F431 PolarHBondContact OE2-N 3Å; F431-Q433 VanDerWaalsContact C-N 3.31Å; F431-Q433 PolarHBondContact O-N 2.94Å; F431-G434 CarbonylContact O-C 3.6Å; F431-G434 VanDerWaalsContact O-CA 3.31Å; F431-G434 WeakPolarHBondContact O-CA 3.39Å; F431-G434 PolarHBondContact O-N 2.85Å; F431-K435 HydrophobicContact CD1-CD 4.5Å; F431-K435 HydrophobicContact CE1-CD 3.98Å; F431-K435 HydrophobicContact CE1-CG 4.25Å; F431-K435 HydrophobicContact CZ-CD 4.27Å; F431-K435 HydrophobicContact CZ-CG 4.23Å; F431-K435 PolarHBondContact O-N 3.11Å; F431-I451 HydrophobicContact CD2-CG2 4.33Å; F431-Y455 HydrophobicContact CB-CE2 4.2Å
432F91.1Very high86.5Confident1 Ų112.8 Ų12.80%0.0047%0.068CC..Hα-helixtrans-57.9-42.8172.8-176.3-94.8000112K52 E54 V427 E429 G434 K435 S436K52-F432 HydrophobicContact CD-CE1 3.8Å; K52-F432 HydrophobicContact CD-CZ 3.57Å; K52-F432 VanDerWaalsContact CE-CZ 3.49Å; K52-F432 HydrophobicContact CG-CE1 4.49Å; K52-F432 HydrophobicContact CG-CZ 3.84Å; E54-F432 HydrophobicContact CG-CE2 4.34Å; E54-F432 VanDerWaalsContact OE1-CE2 3.28Å; E54-F432 WeakPolarHBondContact OE1-CE2 3.33Å; V427-F432 VanDerWaalsContact O-CB 3.24Å; V427-F432 WeakPolarHBondContact O-CB 3.43Å; V427-F432 WeakPolarHBondContact O-CG 3.44Å; E429-F432 PolarHBondContact O-N 2.95Å; E429-F432 WeakPolarHBondContact OE1-CB 3.46Å; E429-F432 PolarHBondContact OE1-N 2.98Å; F432-G434 VanDerWaalsContact C-N 3.31Å; F432-G434 PolarHBondContact O-N 2.97Å; F432-K435 PolarHBondContact O-N 3.18Å; F432-S436 WeakPolarHBondContact O-CB 3.35Å; F432-S436 PolarHBondContact O-N 3.12Å
433Q90.5Very high85.5Confident5 Ų514.9 Ų14.92%0.0238%0.078CC..Hα-helixtrans-65.5-36.1173.5-66.1-58.6-4.700112.2D25 M262 F263 E429 L430 F431 S436 A437D25-Q433 PolarHBondContact OD2-NE2 2.99Å; M262-Q433 HydrophobicContact CG-CB 3.91Å; M262-Q433 VanDerWaalsContact CG-CD 3.49Å; M262-Q433 HydrophobicContact CG-CG 3.97Å; M262-Q433 HydrophobicContact SD-CB 4.35Å; M262-Q433 PolarHBondContact SD-OE1 3Å; F263-Q433 HydrophobicContact CD1-CB 4.42Å; E429-Q433 WeakPolarHBondContact O-CG 2.81Å; E429-Q433 PolarHBondContact O-N 3.09Å; L430-Q433 PolarHBondContact O-N 3.38Å; F431-Q433 VanDerWaalsContact C-N 3.31Å; F431-Q433 PolarHBondContact O-N 2.94Å; Q433-S436 WeakPolarHBondContact O-CB 3.45Å; Q433-S436 PolarHBondContact O-N 2.7Å; Q433-A437 WeakPolarHBondContact O-CB 3.03Å; Q433-A437 PolarHBondContact O-N 2.71Å
434G90.6Very high84.8Confident0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-56.7-51.2169.400000112.9L430 F431 F432 S436 A437 A438 T447L430-G434 PolarHBondContact O-N 3.43Å; F431-G434 CarbonylContact O-C 3.6Å; F431-G434 VanDerWaalsContact O-CA 3.31Å; F431-G434 WeakPolarHBondContact O-CA 3.39Å; F431-G434 PolarHBondContact O-N 2.85Å; F432-G434 VanDerWaalsContact C-N 3.31Å; F432-G434 PolarHBondContact O-N 2.97Å; G434-S436 VanDerWaalsContact C-N 3.31Å; G434-S436 PolarHBondContact O-N 3.42Å; G434-A437 PolarHBondContact O-N 2.92Å; G434-A438 VanDerWaalsContact O-CB 3.24Å; G434-A438 WeakPolarHBondContact O-CB 3.42Å; G434-A438 PolarHBondContact O-N 3.39Å; G434-T447 WeakPolarHBondContact O-CG2 3.46Å
435K85.6Confident84.4Confident38 Ų3819.4 Ų19.417%0.16510%0.095CC..Hα-helixtrans-58.7-43.8175.7-66.6-164.3-64.4172.80111.5E54 F431 F432 A438 G439 Y448E54-K435 VanDerWaalsContact OE1-CE 3.3Å; E54-K435 WeakPolarHBondContact OE1-CE 3.48Å; E54-K435 IonicContact OE1-NZ 2.72Å; E54-K435 PolarHBondContact OE1-NZ 2.77Å; E54-K435 IonicContact OE2-NZ 2.7Å; E54-K435 PolarHBondContact OE2-NZ 2.77Å; F431-K435 HydrophobicContact CD1-CD 4.5Å; F431-K435 HydrophobicContact CE1-CD 3.98Å; F431-K435 HydrophobicContact CE1-CG 4.25Å; F431-K435 HydrophobicContact CZ-CD 4.27Å; F431-K435 HydrophobicContact CZ-CG 4.23Å; F431-K435 PolarHBondContact O-N 3.11Å; F432-K435 PolarHBondContact O-N 3.18Å; K435-A438 PolarHBondContact O-N 3.3Å; K435-G439 PolarHBondContact O-N 3.01Å; K435-Y448 HydrophobicContact CG-CE1 4.27Å
436S83.6Confident84.2Confident4 Ų421.6 Ų21.63%0.02811%0.105CC..Hα-helixtrans-58.8-51.1176.3-170.50000112.5T11 K52 F432 Q433 G434 G439 T440T11-S436 WeakPolarHBondContact CB-OG 3.39Å; T11-S436 WeakPolarHBondContact CG2-OG 3.36Å; T11-S436 PolarHBondContact OG1-OG 2.93Å; K52-S436 PolarHBondContact NZ-OG 3.05Å; F432-S436 WeakPolarHBondContact O-CB 3.35Å; F432-S436 PolarHBondContact O-N 3.12Å; Q433-S436 WeakPolarHBondContact O-CB 3.45Å; Q433-S436 PolarHBondContact O-N 2.7Å; G434-S436 VanDerWaalsContact C-N 3.31Å; G434-S436 PolarHBondContact O-N 3.42Å; S436-G439 PolarHBondContact O-N 2.68Å; S436-T440 PolarHBondContact O-N 2.81Å; S436-T440 VanDerWaalsContact O-N 3.13Å; S436-T440 PolarHBondContact O-OG1 3.08Å
437A84.4Confident84.2Confident0 Ų021.6 Ų21.60%011%0.105CC..Hα-helixtrans-63.7-43.9-179.300000111.2N259 M262 F263 Q433 G434 T440 N441 T447N259-A437 HydrophobicContact CB-CB 4.07Å; M262-A437 HydrophobicContact SD-CB 4.4Å; F263-A437 HydrophobicContact CE1-CB 3.62Å; F263-A437 HydrophobicContact CZ-CB 3.74Å; Q433-A437 WeakPolarHBondContact O-CB 3.03Å; Q433-A437 PolarHBondContact O-N 2.71Å; G434-A437 PolarHBondContact O-N 2.92Å; A437-T440 WeakPolarHBondContact O-CB 3.46Å; A437-T440 PolarHBondContact O-N 3.05Å; A437-T440 VanDerWaalsContact O-N 3.13Å; A437-N441 PolarHBondContact O-N 3.39Å; A437-N441 PolarHBondContact O-ND2 3.1Å; A437-N441 PolarHBondContact O-OD1 3.46Å; A437-N441 VanDerWaalsContact O-OD1 3.07Å; A437-T447 HydrophobicContact CB-CG2 4.06Å
438A80.5Confident84.1Confident0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-63.2-42.8178.300000112G434 K435 T440 N441 Y442 F444 T447 Y448G434-A438 VanDerWaalsContact O-CB 3.24Å; G434-A438 WeakPolarHBondContact O-CB 3.42Å; G434-A438 PolarHBondContact O-N 3.39Å; K435-A438 PolarHBondContact O-N 3.3Å; A438-T440 PolarHBondContact O-N 3Å; A438-N441 WeakPolarHBondContact CA-OD1 3.42Å; A438-N441 PolarHBondContact O-OD1 3.31Å; A438-Y442 WeakPolarHBondContact O-CA 3.42Å; A438-Y442 PolarHBondContact O-N 3.49Å; A438-F444 HydrophobicContact CB-CD1 3.35Å; A438-F444 HydrophobicContact CB-CE1 3.4Å; A438-F444 VanDerWaalsContact CB-CE1 3.4Å; A438-F444 HydrophobicContact CB-CG 4.1Å; A438-F444 HydrophobicContact CB-CZ 4.25Å; A438-F444 WeakPolarHBondContact O-CE1 3.2Å; A438-F444 WeakPolarHBondContact O-CZ 3.48Å; A438-T447 HydrophobicContact CB-CG2 3.88Å; A438-Y448 HydrophobicContact CB-CD1 4.46Å; A438-Y448 HydrophobicContact CB-CE1 3.87Å
439G72.4Confident84.2Confident8 Ų828.5 Ų28.58%0.08213%0.13CC..Hα-helixtrans-60.8-27.9173.400000113.7K435 S436K435-G439 PolarHBondContact O-N 3.01Å; S436-G439 PolarHBondContact O-N 2.68Å
440T71.6Confident84.2Confident23 Ų2329 Ų2914%0.14113%0.132CC..Hα-helixtrans-86.1-45.1-177.9-520000112.4T11 P236 S436 A437 A438 Y442T11-T440 VanDerWaalsContact O-CG2 3.26Å; T11-T440 WeakPolarHBondContact O-CG2 3.39Å; T11-T440 PolarHBondContact O-OG1 2.79Å; P236-T440 HydrophobicContact CB-CG2 4.19Å; P236-T440 HydrophobicContact CG-CG2 3.86Å; S436-T440 PolarHBondContact O-N 2.81Å; S436-T440 VanDerWaalsContact O-N 3.13Å; S436-T440 PolarHBondContact O-OG1 3.08Å; A437-T440 WeakPolarHBondContact O-CB 3.46Å; A437-T440 PolarHBondContact O-N 3.05Å; A437-T440 VanDerWaalsContact O-N 3.13Å; A438-T440 PolarHBondContact O-N 3Å; T440-Y442 WeakPolarHBondContact O-CD2 3.45Å; T440-Y442 VanDerWaalsContact O-CE2 3.31Å; T440-Y442 WeakPolarHBondContact O-CE2 3.17Å
441N72Confident84.2Confident12 Ų1229.2 Ų29.26%0.06413%0.133CC..Hα-helixtrans-94.7-6.2-176.866.316.4000113.5A437 A438 M443 T447A437-N441 PolarHBondContact O-N 3.39Å; A437-N441 PolarHBondContact O-ND2 3.1Å; A437-N441 PolarHBondContact O-OD1 3.46Å; A437-N441 VanDerWaalsContact O-OD1 3.07Å; A438-N441 WeakPolarHBondContact CA-OD1 3.42Å; A438-N441 PolarHBondContact O-OD1 3.31Å; N441-M443 HydrophobicContact CB-CG 4.31Å; N441-M443 VanDerWaalsContact O-CG 3.24Å; N441-M443 WeakPolarHBondContact O-CG 3.22Å; N441-M443 PolarHBondContact O-N 3.26Å; N441-M443 VanDerWaalsContact O-N 3.16Å; N441-M443 WeakPolarHBondContact OD1-CA 3.5Å; N441-M443 WeakPolarHBondContact OD1-CB 3.45Å; N441-M443 PolarHBondContact OD1-N 2.95Å; N441-T447 PolarHBondContact ND2-OG1 3.01Å
442Y68.7Low84.2Confident25 Ų2529.7 Ų29.710%0.09815%0.145CC..SBendtrans6115.8-176.8-47.6-87.3000114.4A6 T170 V174 Q235 A438 T440A6-Y442 WeakPolarHBondContact CB-OH 3.33Å; T170-Y442 HydrophobicContact CG2-CE1 4.41Å; T170-Y442 WeakPolarHBondContact CG2-OH 3.37Å; V174-Y442 HydrophobicContact CB-CD2 4.3Å; V174-Y442 HydrophobicContact CB-CE2 4.37Å; V174-Y442 HydrophobicContact CG1-CD2 3.42Å; V174-Y442 VanDerWaalsContact CG1-CD2 3.42Å; V174-Y442 HydrophobicContact CG1-CE2 3.92Å; V174-Y442 HydrophobicContact CG1-CG 3.86Å; V174-Y442 HydrophobicContact CG2-CD2 4.06Å; V174-Y442 HydrophobicContact CG2-CE2 3.65Å; Q235-Y442 PolarHBondContact OE1-OH 3.03Å; A438-Y442 WeakPolarHBondContact O-CA 3.42Å; A438-Y442 PolarHBondContact O-N 3.49Å; T440-Y442 WeakPolarHBondContact O-CD2 3.45Å; T440-Y442 VanDerWaalsContact O-CE2 3.31Å; T440-Y442 WeakPolarHBondContact O-CE2 3.17Å
443M75.4Confident84.6Confident44 Ų4432.8 Ų32.822%0.21716%0.163CC..  trans-105.867.1-176.6-52.3-154.289.500111.2V251 I255 N441 Q446 T447V251-M443 HydrophobicContact CB-CE 4.46Å; V251-M443 HydrophobicContact CG1-CE 3.4Å; V251-M443 HydrophobicContact CG1-SD 3.36Å; V251-M443 WeakPolarHBondContact CG1-SD 3.35Å; V251-M443 HydrophobicContact CG2-CE 4.22Å; I255-M443 HydrophobicContact CD1-CB 3.87Å; I255-M443 HydrophobicContact CD1-SD 4.17Å; I255-M443 HydrophobicContact CG1-SD 4.5Å; N441-M443 HydrophobicContact CB-CG 4.31Å; N441-M443 VanDerWaalsContact O-CG 3.24Å; N441-M443 WeakPolarHBondContact O-CG 3.22Å; N441-M443 PolarHBondContact O-N 3.26Å; N441-M443 VanDerWaalsContact O-N 3.16Å; N441-M443 WeakPolarHBondContact OD1-CA 3.5Å; N441-M443 WeakPolarHBondContact OD1-CB 3.45Å; N441-M443 PolarHBondContact OD1-N 2.95Å; M443-Q446 HydrophobicContact CB-CB 4.49Å; M443-T447 WeakPolarHBondContact O-CB 3.22Å; M443-T447 PolarHBondContact O-N 2.99Å; M443-T447 PolarHBondContact O-OG1 2.85Å
444F75Confident85Confident13 Ų1334.1 Ų34.16%0.05717%0.17CC..Hα-helixtrans-64.9-50.4-172.9-63-85.4000113.5P147 V151 A438 Q446 T447 Y448P147-F444 HydrophobicContact CB-CD1 4.32Å; P147-F444 HydrophobicContact CB-CE1 3.42Å; P147-F444 VanDerWaalsContact CB-CE1 3.42Å; P147-F444 HydrophobicContact CB-CE2 3.73Å; P147-F444 HydrophobicContact CB-CZ 3.09Å; P147-F444 HydrophobicContact CG-CE1 4.09Å; P147-F444 HydrophobicContact CG-CE2 4.36Å; P147-F444 HydrophobicContact CG-CZ 3.55Å; V151-F444 HydrophobicContact CG2-CB 3.64Å; V151-F444 HydrophobicContact CG2-CD2 3.35Å; V151-F444 HydrophobicContact CG2-CE2 4.37Å; V151-F444 HydrophobicContact CG2-CG 3.74Å; A438-F444 HydrophobicContact CB-CD1 3.35Å; A438-F444 HydrophobicContact CB-CE1 3.4Å; A438-F444 VanDerWaalsContact CB-CE1 3.4Å; A438-F444 HydrophobicContact CB-CG 4.1Å; A438-F444 HydrophobicContact CB-CZ 4.25Å; A438-F444 WeakPolarHBondContact O-CE1 3.2Å; A438-F444 WeakPolarHBondContact O-CZ 3.48Å; F444-Q446 VanDerWaalsContact C-N 3.33Å; F444-Q446 PolarHBondContact O-N 2.94Å; F444-T447 PolarHBondContact O-N 3.21Å; F444-Y448 HydrophobicContact CB-CD2 4.45Å; F444-Y448 HydrophobicContact CB-CE2 4.3Å; F444-Y448 HydrophobicContact CD1-CE2 4.16Å; F444-Y448 AromaticContact CD1-CZ 3.95Å; F444-Y448 VanDerWaalsContact O-CB 3.3Å; F444-Y448 WeakPolarHBondContact O-CB 3.26Å; F444-Y448 PolarHBondContact O-N 2.84Å
445F80.4Confident85.4Confident133 Ų13335.5 Ų35.558%0.58318%0.175SC*.Hα-helixtrans-57.4-50.1-178.5171.9-102000110.8F449F445-F449 WeakPolarHBondContact O-CB 3.48Å; F445-F449 PolarHBondContact O-N 2.62Å
446Q86.6Confident86Confident46 Ų4639.8 Ų39.822%0.21519%0.194CC..Hα-helixtrans-66.4-41.9-178.1-57.487.3-18.700111.1V251 F252 I255 M443 F444 I450V251-Q446 HydrophobicContact CG1-CB 4.16Å; V251-Q446 HydrophobicContact CG1-CG 3.79Å; F252-Q446 HydrophobicContact CD1-CB 4.18Å; F252-Q446 HydrophobicContact CE1-CB 3.88Å; F252-Q446 HydrophobicContact CE1-CG 4.17Å; F252-Q446 HydrophobicContact CZ-CB 4.37Å; F252-Q446 HydrophobicContact CZ-CG 4.15Å; I255-Q446 HydrophobicContact CD1-CB 3.43Å; I255-Q446 VanDerWaalsContact CD1-CB 3.43Å; I255-Q446 HydrophobicContact CD1-CG 4.46Å; M443-Q446 HydrophobicContact CB-CB 4.49Å; F444-Q446 VanDerWaalsContact C-N 3.33Å; F444-Q446 PolarHBondContact O-N 2.94Å; Q446-I450 WeakPolarHBondContact O-CD1 3.39Å; Q446-I450 VanDerWaalsContact O-CG1 3.28Å; Q446-I450 WeakPolarHBondContact O-CG1 3.36Å; Q446-I450 PolarHBondContact O-N 2.93Å
447T88.5Confident86.7Confident0 Ų043.2 Ų43.20%022%0.215CC..Hα-helixtrans-66.5-49.4178.5-59.30000111.4F263 G434 A437 A438 N441 M443 F444 F449 I450 I451F263-T447 HydrophobicContact CZ-CG2 3.95Å; G434-T447 WeakPolarHBondContact O-CG2 3.46Å; A437-T447 HydrophobicContact CB-CG2 4.06Å; A438-T447 HydrophobicContact CB-CG2 3.88Å; N441-T447 PolarHBondContact ND2-OG1 3.01Å; M443-T447 WeakPolarHBondContact O-CB 3.22Å; M443-T447 PolarHBondContact O-N 2.99Å; M443-T447 PolarHBondContact O-OG1 2.85Å; F444-T447 PolarHBondContact O-N 3.21Å; T447-F449 VanDerWaalsContact C-N 3.31Å; T447-F449 PolarHBondContact O-N 3.31Å; T447-I450 WeakPolarHBondContact O-CB 3.44Å; T447-I450 PolarHBondContact O-N 3.24Å; T447-I450 VanDerWaalsContact O-N 3.12Å; T447-I451 WeakPolarHBondContact O-CG1 3.49Å; T447-I451 PolarHBondContact O-N 2.95Å
448Y90.4Very high87.3Confident76 Ų7644.5 Ų44.530%0.29822%0.222SC..Hα-helixtrans-67.1-32178.4-65.7-14.7000112.5K435 A438 F444 I451 C452K435-Y448 HydrophobicContact CG-CE1 4.27Å; A438-Y448 HydrophobicContact CB-CD1 4.46Å; A438-Y448 HydrophobicContact CB-CE1 3.87Å; F444-Y448 HydrophobicContact CB-CD2 4.45Å; F444-Y448 HydrophobicContact CB-CE2 4.3Å; F444-Y448 HydrophobicContact CD1-CE2 4.16Å; F444-Y448 AromaticContact CD1-CZ 3.95Å; F444-Y448 VanDerWaalsContact O-CB 3.3Å; F444-Y448 WeakPolarHBondContact O-CB 3.26Å; F444-Y448 PolarHBondContact O-N 2.84Å; Y448-I451 PolarHBondContact O-N 3.49Å; Y448-C452 VanDerWaalsContact O-CB 3.31Å; Y448-C452 WeakPolarHBondContact O-CB 3.35Å; Y448-C452 PolarHBondContact O-N 2.99Å
449F92.5Very high88.2Confident102 Ų10245.4 Ų45.445%0.44723%0.227SC..Hα-helixtrans-63.1-43.4170.1-174.3-95.3000111.6F252 F445 T447 I451 C452 V453F252-F449 HydrophobicContact CD1-CD1 4.26Å; F252-F449 HydrophobicContact CE1-CB 4.23Å; F252-F449 AromaticContact CE1-CD1 3.58Å; F252-F449 HydrophobicContact CE1-CD1 3.58Å; F252-F449 HydrophobicContact CE1-CE1 4.36Å; F252-F449 HydrophobicContact CE1-CG 4.2Å; F252-F449 HydrophobicContact CZ-CD1 4.24Å; F445-F449 WeakPolarHBondContact O-CB 3.48Å; F445-F449 PolarHBondContact O-N 2.62Å; T447-F449 VanDerWaalsContact C-N 3.31Å; T447-F449 PolarHBondContact O-N 3.31Å; F449-I451 PolarHBondContact O-N 3.26Å; F449-C452 WeakPolarHBondContact O-CB 3.32Å; F449-C452 PolarHBondContact O-N 3.5Å; F449-V453 HydrophobicContact CD1-CG2 4.21Å; F449-V453 HydrophobicContact CE1-CG2 3.86Å; F449-V453 HydrophobicContact CZ-CG2 4.21Å; F449-V453 WeakPolarHBondContact O-CG2 3.48Å; F449-V453 PolarHBondContact O-N 3.33Å
450I95.6Very high89.3Confident11 Ų1149.3 Ų49.36%0.05624%0.242CC..Hα-helixtrans-58.8-47.7173-72160.6000110.7F252 I255 L256 F263 Q446 T447 C452 V453 I454F252-I450 HydrophobicContact CD1-CD1 4.12Å; F252-I450 HydrophobicContact CD1-CG1 3.97Å; I255-I450 HydrophobicContact CB-CD1 3.68Å; I255-I450 HydrophobicContact CD1-CD1 4.28Å; I255-I450 HydrophobicContact CG2-CD1 3.55Å; L256-I450 HydrophobicContact CD2-CG2 3.62Å; L256-I450 HydrophobicContact CG-CD1 4.15Å; L256-I450 HydrophobicContact CG-CG2 4.3Å; F263-I450 HydrophobicContact CD2-CG2 4.25Å; F263-I450 HydrophobicContact CE2-CG2 3.98Å; Q446-I450 WeakPolarHBondContact O-CD1 3.39Å; Q446-I450 VanDerWaalsContact O-CG1 3.28Å; Q446-I450 WeakPolarHBondContact O-CG1 3.36Å; Q446-I450 PolarHBondContact O-N 2.93Å; T447-I450 WeakPolarHBondContact O-CB 3.44Å; T447-I450 PolarHBondContact O-N 3.24Å; T447-I450 VanDerWaalsContact O-N 3.12Å; I450-C452 VanDerWaalsContact C-N 3.32Å; I450-C452 PolarHBondContact O-N 3.2Å; I450-V453 PolarHBondContact O-N 3.43Å; I450-I454 HydrophobicContact CG2-CD1 3.84Å; I450-I454 HydrophobicContact CG2-CG1 4.44Å; I450-I454 WeakPolarHBondContact O-CG1 3.5Å; I450-I454 PolarHBondContact O-N 3.42Å
451I96.5Very high90.6Very high4 Ų451.6 Ų51.62%0.02126%0.256CS..Hα-helixtrans-60.7-41.7178.4-63.6-63000111.3F263 L430 F431 T447 Y448 F449 V453 I454 Y455F263-I451 HydrophobicContact CD1-CD1 3.88Å; F263-I451 HydrophobicContact CE1-CD1 3.88Å; F263-I451 HydrophobicContact CG-CD1 4.32Å; F263-I451 HydrophobicContact CZ-CD1 4.3Å; L430-I451 HydrophobicContact CD1-CD1 3.56Å; L430-I451 HydrophobicContact CD2-CG2 4.49Å; L430-I451 HydrophobicContact CG-CD1 3.99Å; L430-I451 HydrophobicContact CG-CG2 4.16Å; F431-I451 HydrophobicContact CD2-CG2 4.33Å; T447-I451 WeakPolarHBondContact O-CG1 3.49Å; T447-I451 PolarHBondContact O-N 2.95Å; Y448-I451 PolarHBondContact O-N 3.49Å; F449-I451 PolarHBondContact O-N 3.26Å; I451-V453 PolarHBondContact O-N 2.97Å; I451-I454 PolarHBondContact O-N 3.06Å; I451-Y455 HydrophobicContact CG2-CD2 3.66Å; I451-Y455 HydrophobicContact CG2-CE2 3.65Å; I451-Y455 WeakPolarHBondContact O-CD2 3.42Å; I451-Y455 PolarHBondContact O-N 2.9Å
452C97.3Very high91.7Very high79 Ų7951.8 Ų51.853%0.53426%0.26SS..Hα-helixtrans-59.4-45.8174.5-176.10000111.6Y448 F449 I450 I454 Y455 F456Y448-C452 VanDerWaalsContact O-CB 3.31Å; Y448-C452 WeakPolarHBondContact O-CB 3.35Å; Y448-C452 PolarHBondContact O-N 2.99Å; F449-C452 WeakPolarHBondContact O-CB 3.32Å; F449-C452 PolarHBondContact O-N 3.5Å; I450-C452 VanDerWaalsContact C-N 3.32Å; I450-C452 PolarHBondContact O-N 3.2Å; C452-I454 VanDerWaalsContact C-N 3.34Å; C452-I454 PolarHBondContact O-N 3.26Å; C452-Y455 PolarHBondContact O-N 3.3Å; C452-F456 WeakPolarHBondContact O-CB 3.32Å; C452-F456 PolarHBondContact O-N 2.85Å
453V98.2Very high92.9Very high65 Ų6552.3 Ų52.339%0.39427%0.266SS..Hα-helixtrans-61.8-41.9175.8171.10000111.2F449 I450 I451 F456 V457F449-V453 HydrophobicContact CD1-CG2 4.21Å; F449-V453 HydrophobicContact CE1-CG2 3.86Å; F449-V453 HydrophobicContact CZ-CG2 4.21Å; F449-V453 WeakPolarHBondContact O-CG2 3.48Å; F449-V453 PolarHBondContact O-N 3.33Å; I450-V453 PolarHBondContact O-N 3.43Å; I451-V453 PolarHBondContact O-N 2.97Å; V453-F456 PolarHBondContact O-N 3.43Å; V453-V457 HydrophobicContact CG1-CG2 4.44Å; V453-V457 VanDerWaalsContact O-CG2 3.3Å; V453-V457 WeakPolarHBondContact O-CG2 3.43Å; V453-V457 PolarHBondContact O-N 3.28Å
454I98.4Very high93.9Very high33 Ų3356.8 Ų56.817%0.16928%0.28CS..Hα-helixtrans-63.5-48.9177-63.8166.1000110.2F263 L430 I450 I451 C452 F456 V457 L458F263-I454 HydrophobicContact CB-CD1 4.3Å; F263-I454 HydrophobicContact CD2-CD1 4.38Å; L430-I454 HydrophobicContact CD1-CD1 4.24Å; L430-I454 HydrophobicContact CD1-CG2 4.26Å; L430-I454 HydrophobicContact CD2-CB 3.94Å; L430-I454 HydrophobicContact CD2-CG2 3.42Å; L430-I454 VanDerWaalsContact CD2-CG2 3.42Å; L430-I454 HydrophobicContact CG-CG2 4.48Å; I450-I454 HydrophobicContact CG2-CD1 3.84Å; I450-I454 HydrophobicContact CG2-CG1 4.44Å; I450-I454 WeakPolarHBondContact O-CG1 3.5Å; I450-I454 PolarHBondContact O-N 3.42Å; I451-I454 PolarHBondContact O-N 3.06Å; C452-I454 VanDerWaalsContact C-N 3.34Å; C452-I454 PolarHBondContact O-N 3.26Å; I454-F456 VanDerWaalsContact C-N 3.29Å; I454-F456 PolarHBondContact O-N 3.16Å; I454-V457 PolarHBondContact O-N 3.43Å; I454-V457 VanDerWaalsContact O-N 3.14Å; I454-L458 HydrophobicContact CG2-CD1 4.14Å; I454-L458 HydrophobicContact CG2-CG 4.32Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 2.98Å
455Y98.7Very high94.8Very high29 Ų2961.1 Ų61.111%0.11430%0.303CS..Hα-helixtrans-56.9-42.8175.1-88.7-63.1000112.4T270 I416 E429 L430 F431 I451 C452 L458 T459T270-Y455 HydrophobicContact CG2-CE1 4.12Å; I416-Y455 HydrophobicContact CG2-CD1 4.22Å; I416-Y455 HydrophobicContact CG2-CE1 4.44Å; I416-Y455 VanDerWaalsContact O-CE1 3.3Å; I416-Y455 WeakPolarHBondContact O-CE1 3.39Å; E429-Y455 PolarHBondContact OE2-OH 2.88Å; L430-Y455 HydrophobicContact CB-CE2 4.32Å; L430-Y455 HydrophobicContact CD2-CD1 4.32Å; L430-Y455 HydrophobicContact CD2-CD2 3.9Å; L430-Y455 HydrophobicContact CD2-CE1 4.21Å; L430-Y455 HydrophobicContact CD2-CE2 3.8Å; L430-Y455 HydrophobicContact CD2-CG 4.16Å; L430-Y455 HydrophobicContact CG-CE2 4.08Å; F431-Y455 HydrophobicContact CB-CE2 4.2Å; I451-Y455 HydrophobicContact CG2-CD2 3.66Å; I451-Y455 HydrophobicContact CG2-CE2 3.65Å; I451-Y455 WeakPolarHBondContact O-CD2 3.42Å; I451-Y455 PolarHBondContact O-N 2.9Å; C452-Y455 PolarHBondContact O-N 3.3Å; Y455-L458 PolarHBondContact O-N 2.68Å; Y455-T459 WeakPolarHBondContact O-CB 3.17Å; Y455-T459 VanDerWaalsContact O-CG2 3.3Å; Y455-T459 WeakPolarHBondContact O-CG2 3.18Å; Y455-T459 PolarHBondContact O-N 2.74Å; Y455-T459 PolarHBondContact O-OG1 2.88Å
456F98.5Very high95.3Very high128 Ų12855.6 Ų55.656%0.56128%0.279SS*.Hα-helixtrans-61-46.5175.3176.8-106.8000111.4C452 V453 I454 L458 T459 F460C452-F456 WeakPolarHBondContact O-CB 3.32Å; C452-F456 PolarHBondContact O-N 2.85Å; V453-F456 PolarHBondContact O-N 3.43Å; I454-F456 VanDerWaalsContact C-N 3.29Å; I454-F456 PolarHBondContact O-N 3.16Å; F456-L458 PolarHBondContact O-N 3.35Å; F456-T459 PolarHBondContact O-N 3.44Å; F456-T459 PolarHBondContact O-OG1 3.33Å; F456-F460 HydrophobicContact CE2-CB 4.47Å; F456-F460 HydrophobicContact CE2-CD2 4.37Å; F456-F460 HydrophobicContact CZ-CB 4.41Å; F456-F460 HydrophobicContact CZ-CD2 4Å; F456-F460 HydrophobicContact CZ-CG 4.39Å; F456-F460 WeakPolarHBondContact O-CA 3.47Å; F456-F460 WeakPolarHBondContact O-CB 3.27Å; F456-F460 PolarHBondContact O-N 3Å
457V98.5Very high95.5Very high76 Ų7659.7 Ų59.746%0.46129%0.293SS..Hα-helixtrans-60.4-44.8176.8169.60000111.3V453 I454 T461V453-V457 HydrophobicContact CG1-CG2 4.44Å; V453-V457 VanDerWaalsContact O-CG2 3.3Å; V453-V457 WeakPolarHBondContact O-CG2 3.43Å; V453-V457 PolarHBondContact O-N 3.28Å; I454-V457 PolarHBondContact O-N 3.43Å; I454-V457 VanDerWaalsContact O-N 3.14Å; V457-T461 WeakPolarHBondContact O-CB 3.28Å; V457-T461 PolarHBondContact O-N 2.82Å; V457-T461 PolarHBondContact O-OG1 3.39Å
458L98.3Very high95.5Very high27 Ų2762.6 Ų62.614%0.14132%0.317CS..Hα-helixtrans-62.2-52.8178.8-66.1176.4000111.6T267 L271 I416 L430 I454 Y455 F456 T461 A462T267-L458 HydrophobicContact CG2-CD1 3.82Å; T267-L458 HydrophobicContact CG2-CD2 3.8Å; T267-L458 HydrophobicContact CG2-CG 4.35Å; L271-L458 HydrophobicContact CD1-CD2 4.08Å; L271-L458 HydrophobicContact CD2-CD2 4.31Å; L271-L458 HydrophobicContact CG-CD2 4.41Å; I416-L458 HydrophobicContact CG2-CB 4.1Å; I416-L458 HydrophobicContact CG2-CD1 4.41Å; L430-L458 HydrophobicContact CD2-CD1 4.3Å; I454-L458 HydrophobicContact CG2-CD1 4.14Å; I454-L458 HydrophobicContact CG2-CG 4.32Å; I454-L458 VanDerWaalsContact O-CG 3.31Å; I454-L458 WeakPolarHBondContact O-CG 3.47Å; I454-L458 PolarHBondContact O-N 2.98Å; Y455-L458 PolarHBondContact O-N 2.68Å; F456-L458 PolarHBondContact O-N 3.35Å; L458-T461 PolarHBondContact O-N 2.81Å; L458-A462 WeakPolarHBondContact O-CB 3.24Å; L458-A462 PolarHBondContact O-N 2.87Å
459T97.5Very high95.4Very high20 Ų2061.9 Ų61.912%0.12332%0.32CS..Hα-helixtrans-67.3-40.3-177.853.90000112.1V413 I416 K417 Y455 F456 A462 T463V413-T459 HydrophobicContact CG1-CG2 4.08Å; I416-T459 HydrophobicContact CB-CG2 4.37Å; I416-T459 HydrophobicContact CG2-CG2 3.85Å; K417-T459 HydrophobicContact CD-CG2 4.22Å; K417-T459 HydrophobicContact CG-CG2 3.73Å; Y455-T459 WeakPolarHBondContact O-CB 3.17Å; Y455-T459 VanDerWaalsContact O-CG2 3.3Å; Y455-T459 WeakPolarHBondContact O-CG2 3.18Å; Y455-T459 PolarHBondContact O-N 2.74Å; Y455-T459 PolarHBondContact O-OG1 2.88Å; F456-T459 PolarHBondContact O-N 3.44Å; F456-T459 PolarHBondContact O-OG1 3.33Å; T459-A462 PolarHBondContact O-N 2.85Å; T459-T463 WeakPolarHBondContact O-CB 3.27Å; T459-T463 PolarHBondContact O-N 2.84Å; T459-T463 PolarHBondContact O-OG1 3.25Å
460F97.6Very high95Very high90 Ų9059.4 Ų59.440%0.39531%0.31SS..Hα-helixtrans-62.6-45.2174.7-177.5-93.4000111.2F456 T463 R464F456-F460 HydrophobicContact CE2-CB 4.47Å; F456-F460 HydrophobicContact CE2-CD2 4.37Å; F456-F460 HydrophobicContact CZ-CB 4.41Å; F456-F460 HydrophobicContact CZ-CD2 4Å; F456-F460 HydrophobicContact CZ-CG 4.39Å; F456-F460 WeakPolarHBondContact O-CA 3.47Å; F456-F460 WeakPolarHBondContact O-CB 3.27Å; F456-F460 PolarHBondContact O-N 3Å; F460-T463 PolarHBondContact O-N 3.39Å; F460-R464 HydrophobicContact CD1-CG 4.15Å; F460-R464 HydrophobicContact CE1-CG 3.88Å; F460-R464 HydrophobicContact CZ-CG 4.23Å; F460-R464 VanDerWaalsContact CZ-NE 3.33Å; F460-R464 VanDerWaalsContact O-CG 3.31Å; F460-R464 WeakPolarHBondContact O-CG 3.29Å; F460-R464 PolarHBondContact O-N 3.2Å
461T96.9Very high94.5Very high70 Ų7066.8 Ų66.843%0.42934%0.342SS..Hα-helixtrans-62.7-48.7177.7-58.80000111V457 L458 T463 R464 I465V457-T461 WeakPolarHBondContact O-CB 3.28Å; V457-T461 PolarHBondContact O-N 2.82Å; V457-T461 PolarHBondContact O-OG1 3.39Å; L458-T461 PolarHBondContact O-N 2.81Å; T461-T463 VanDerWaalsContact C-N 3.31Å; T461-T463 PolarHBondContact O-N 2.87Å; T461-R464 PolarHBondContact O-N 2.89Å; T461-R464 VanDerWaalsContact O-N 3.12Å; T461-I465 HydrophobicContact CG2-CD1 4.04Å; T461-I465 WeakPolarHBondContact O-CG1 3.48Å; T461-I465 PolarHBondContact O-N 3.13Å
462A95.8Very high93.9Very high17 Ų1775.3 Ų75.314%0.1438%0.378CS..Hα-helixtrans-57.7-43.2176.200000111.9V413 I416 L458 T459 R464 I465 L466V413-A462 HydrophobicContact CG2-CB 3.97Å; I416-A462 HydrophobicContact CD1-CB 4Å; L458-A462 WeakPolarHBondContact O-CB 3.24Å; L458-A462 PolarHBondContact O-N 2.87Å; T459-A462 PolarHBondContact O-N 2.85Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 3.07Å; A462-I465 PolarHBondContact O-N 2.82Å; A462-L466 WeakPolarHBondContact O-CB 3.3Å; A462-L466 PolarHBondContact O-N 2.98Å
463T95.2Very high93Very high36 Ų3674.1 Ų74.122%0.22137%0.366CS..Hα-helixtrans-63.6-37176.7-56.60000112.3T459 F460 T461 R467T459-T463 WeakPolarHBondContact O-CB 3.27Å; T459-T463 PolarHBondContact O-N 2.84Å; T459-T463 PolarHBondContact O-OG1 3.25Å; F460-T463 PolarHBondContact O-N 3.39Å; T461-T463 VanDerWaalsContact C-N 3.31Å; T461-T463 PolarHBondContact O-N 2.87Å; T463-R467 WeakPolarHBondContact O-CG 3.46Å; T463-R467 PolarHBondContact O-N 2.92Å
464R95.9Very high91.7Very high137 Ų13777.2 Ų77.252%0.51738%0.38SS..Hα-helixtrans-69.3-40.7176.7-70.4-68.8176.6168.4-0.6112.1F460 T461 A462 R467 A468F460-R464 HydrophobicContact CD1-CG 4.15Å; F460-R464 HydrophobicContact CE1-CG 3.88Å; F460-R464 HydrophobicContact CZ-CG 4.23Å; F460-R464 VanDerWaalsContact CZ-NE 3.33Å; F460-R464 VanDerWaalsContact O-CG 3.31Å; F460-R464 WeakPolarHBondContact O-CG 3.29Å; F460-R464 PolarHBondContact O-N 3.2Å; T461-R464 PolarHBondContact O-N 2.89Å; T461-R464 VanDerWaalsContact O-N 3.12Å; A462-R464 VanDerWaalsContact C-N 3.34Å; A462-R464 PolarHBondContact O-N 3.07Å; R464-R467 PolarHBondContact O-N 2.94Å; R464-A468 WeakPolarHBondContact O-CB 3.26Å; R464-A468 PolarHBondContact O-N 2.95Å
465I93.2Very high90.2Very high105 Ų10577.3 Ų77.354%0.53839%0.389SS..Hα-helixtrans-61-48.3174-66.4167.4000109.5T461 A462 R467 A468 V469T461-I465 HydrophobicContact CG2-CD1 4.04Å; T461-I465 WeakPolarHBondContact O-CG1 3.48Å; T461-I465 PolarHBondContact O-N 3.13Å; A462-I465 PolarHBondContact O-N 2.82Å; I465-R467 PolarHBondContact O-N 2.96Å; I465-A468 WeakPolarHBondContact O-CB 3.23Å; I465-A468 PolarHBondContact O-N 3.23Å; I465-A468 VanDerWaalsContact O-N 3.16Å; I465-V469 WeakPolarHBondContact O-CG2 3.35Å; I465-V469 PolarHBondContact O-N 3.22Å
466L90.9Very high88.5Confident17 Ų1781.2 Ų81.29%0.08942%0.418CS..Hα-helixtrans-55-52.8177.4178.557.9000111.8A462 A468 V469 E470A462-L466 WeakPolarHBondContact O-CB 3.3Å; A462-L466 PolarHBondContact O-N 2.98Å; L466-A468 VanDerWaalsContact C-N 3.26Å; L466-A468 PolarHBondContact O-N 3.08Å; L466-V469 WeakPolarHBondContact O-CB 3.32Å; L466-V469 PolarHBondContact O-N 3.46Å; L466-E470 HydrophobicContact CD1-CG 4.22Å; L466-E470 HydrophobicContact CG-CG 4.41Å; L466-E470 WeakPolarHBondContact CG-OE1 3.25Å; L466-E470 WeakPolarHBondContact O-CG 3.41Å; L466-E470 PolarHBondContact O-N 3.1Å
467R90.1Very high86.7Confident131 Ų13181 Ų8149%0.49443%0.433SS..Hα-helixtrans-60.7-33.2178.8-72.8177.2-177.7-177.72.2113.6T463 R464 I465 K471T463-R467 WeakPolarHBondContact O-CG 3.46Å; T463-R467 PolarHBondContact O-N 2.92Å; R464-R467 PolarHBondContact O-N 2.94Å; I465-R467 PolarHBondContact O-N 2.96Å; R467-K471 WeakPolarHBondContact O-CB 3.16Å; R467-K471 WeakPolarHBondContact O-CG 3.28Å; R467-K471 PolarHBondContact O-N 3.14Å
468A90.1Very high84.7Confident62 Ų6281.3 Ų81.351%0.51244%0.443SS..Hα-helixtrans-69.8-38.5176.200000111.4R464 I465 L466 K472R464-A468 WeakPolarHBondContact O-CB 3.26Å; R464-A468 PolarHBondContact O-N 2.95Å; I465-A468 WeakPolarHBondContact O-CB 3.23Å; I465-A468 PolarHBondContact O-N 3.23Å; I465-A468 VanDerWaalsContact O-N 3.16Å; L466-A468 VanDerWaalsContact C-N 3.26Å; L466-A468 PolarHBondContact O-N 3.08Å; A468-K472 PolarHBondContact O-N 3.43Å
469V88.1Confident83Confident60 Ų6088.6 Ų88.636%0.36447%0.47SS..Hα-helixtrans-66.9-45.2174.5174.80000110.8L405 I465 L466 K472 M473L405-V469 HydrophobicContact CD2-CG1 3.63Å; I465-V469 WeakPolarHBondContact O-CG2 3.35Å; I465-V469 PolarHBondContact O-N 3.22Å; L466-V469 WeakPolarHBondContact O-CB 3.32Å; L466-V469 PolarHBondContact O-N 3.46Å; V469-K472 PolarHBondContact O-N 3.21Å; V469-M473 HydrophobicContact CG1-SD 4.01Å; V469-M473 WeakPolarHBondContact O-CG 3.34Å; V469-M473 PolarHBondContact O-N 3.36Å; V469-M473 VanDerWaalsContact O-N 3.15Å
470E84.6Confident81Confident51 Ų5192.1 Ų92.124%0.23849%0.491CS..Hα-helixtrans-56.7-53.5176.2-71.5171.6174.700111.7P406 L466 K472 M473 D474P406-E470 WeakPolarHBondContact CA-OE1 3.48Å; P406-E470 HydrophobicContact CB-CG 4.39Å; P406-E470 VanDerWaalsContact CB-OE1 3.32Å; P406-E470 WeakPolarHBondContact CB-OE1 3.37Å; P406-E470 HydrophobicContact CG-CG 4.2Å; L466-E470 HydrophobicContact CD1-CG 4.22Å; L466-E470 HydrophobicContact CG-CG 4.41Å; L466-E470 WeakPolarHBondContact CG-OE1 3.25Å; L466-E470 WeakPolarHBondContact O-CG 3.41Å; L466-E470 PolarHBondContact O-N 3.1Å; E470-K472 PolarHBondContact O-N 3.45Å; E470-M473 CarbonylContact O-C 3.02Å; E470-M473 WeakPolarHBondContact O-CA 3.49Å; E470-M473 WeakPolarHBondContact O-CB 3.44Å; E470-M473 PolarHBondContact O-N 2.85Å; E470-D474 PolarHBondContact O-N 2.92Å
471K84.7Confident79.1Confident166 Ų16694.9 Ų94.972%0.72250%0.499SS*.Hα-helixtrans-58-35178.9-79.4-176.9176.8-1710113.5R467 M473R467-K471 WeakPolarHBondContact O-CB 3.16Å; R467-K471 WeakPolarHBondContact O-CG 3.28Å; R467-K471 PolarHBondContact O-N 3.14Å; K471-M473 VanDerWaalsContact C-N 3.26Å
472K84.1Confident77.3Confident182 Ų18298.2 Ų98.279%0.79151%0.513SS*.Hα-helixtrans-69.9-28.9176.9-173.4176.5177.9-177.90111.5A468 V469 E470A468-K472 PolarHBondContact O-N 3.43Å; V469-K472 PolarHBondContact O-N 3.21Å; E470-K472 PolarHBondContact O-N 3.45Å
473M76.7Confident75.8Confident55 Ų55104 Ų10427%0.27154%0.542SS..Hα-helixtrans-88.3-27.5-177.7-7418054.900114.2R402 L405 V469 E470 K471 G475R402-M473 HydrophobicContact CB-CE 4.03Å; R402-M473 HydrophobicContact CG-CE 3.59Å; R402-M473 PolarHBondContact NH2-O 3.39Å; L405-M473 HydrophobicContact CB-CE 4.45Å; L405-M473 HydrophobicContact CD2-CE 3.77Å; L405-M473 HydrophobicContact CD2-SD 3.19Å; L405-M473 WeakPolarHBondContact CD2-SD 3.4Å; V469-M473 HydrophobicContact CG1-SD 4.01Å; V469-M473 WeakPolarHBondContact O-CG 3.34Å; V469-M473 PolarHBondContact O-N 3.36Å; V469-M473 VanDerWaalsContact O-N 3.15Å; E470-M473 CarbonylContact O-C 3.02Å; E470-M473 WeakPolarHBondContact O-CA 3.49Å; E470-M473 WeakPolarHBondContact O-CB 3.44Å; E470-M473 PolarHBondContact O-N 2.85Å; K471-M473 VanDerWaalsContact C-N 3.26Å; M473-G475 PolarHBondContact O-N 3.43Å; M473-G475 VanDerWaalsContact O-N 3.16Å
474D72.7Confident74.2Confident129 Ų129107.8 Ų107.869%0.6956%0.561SS**Hα-helixtrans-61.1-22.9174.7-70.9-19.1000112E470E470-D474 PolarHBondContact O-N 2.92Å
475G66.4Low72.1Confident35 Ų35104.4 Ų104.436%0.36156%0.555SS.*  trans72.2-176.2-179.100000112.2M473 S477M473-G475 PolarHBondContact O-N 3.43Å; M473-G475 VanDerWaalsContact O-N 3.16Å; G475-S477 PolarHBondContact O-N 3.06Å
476P63.6Low70.3Confident112 Ų112107.4 Ų107.473%0.72757%0.572SS**  trans-62.2128.7175-13.226.6000109.7A478P476-A478 PolarHBondContact O-N 3.49Å
477S59.2Low68.6Low123 Ų123110.9 Ų110.986%0.8659%0.594SS**SBendtrans-63-21.6172.1-43.50000112.2G475 Y479G475-S477 PolarHBondContact O-N 3.06Å; S477-Y479 PolarHBondContact O-N 3.22Å
478A57.8Low66.7Low82 Ų82108.9 Ų108.968%0.67861%0.606SS**  trans-88.593.8174.900000109.7P476P476-A478 PolarHBondContact O-N 3.49Å
479Y61.5Low65Low181 Ų181111.9 Ų111.971%0.7162%0.618SS**PPolyproline II helixtrans-89.6128.3149.258-88.1000106.9S477 R481S477-Y479 PolarHBondContact O-N 3.22Å; Y479-R481 HydrophobicContact CD2-CG 4.43Å; Y479-R481 HydrophobicContact CE2-CG 4.28Å
480V56.8Low63Low94 Ų94111.6 Ų111.657%0.5763%0.627SS**PPolyproline II helixtrans-82122.2165.4-169.80000104.7L482 D484 V485V480-L482 PolarHBondContact O-N 3.29Å; V480-D484 HydrophobicContact CG1-CB 3.76Å; V480-V485 HydrophobicContact CB-CG2 4.05Å; V480-V485 HydrophobicContact CG1-CG2 3.48Å; V480-V485 VanDerWaalsContact CG1-CG2 3.48Å
481R56Low61.2Low148 Ų148117.5 Ų117.556%0.55865%0.654SS**PPolyproline II helixtrans-57.7138.3168.4-72.7-177170.3167.3-1.4106.2Y479 D483 D484 V485Y479-R481 HydrophobicContact CD2-CG 4.43Å; Y479-R481 HydrophobicContact CE2-CG 4.28Å; R481-D483 HydrophobicContact CB-CB 4.38Å; R481-D483 PolarHBondContact O-N 3.4Å; R481-D484 HydrophobicContact CB-CB 4.4Å; R481-D484 WeakPolarHBondContact CB-OD2 3.38Å; R481-D484 WeakPolarHBondContact O-CA 3.47Å; R481-D484 WeakPolarHBondContact O-CB 3.4Å; R481-D484 PolarHBondContact O-N 2.99Å; R481-V485 PolarHBondContact O-N 3.23Å
482L60.5Low59.5Low139 Ų139117.8 Ų117.873%0.72866%0.664SS**G310 helixtrans-53.1-29176-81157.6000111.2V480 D484 V485V480-L482 PolarHBondContact O-N 3.29Å; L482-D484 VanDerWaalsContact C-N 3.33Å; L482-D484 PolarHBondContact O-N 3.43Å; L482-V485 PolarHBondContact O-N 3.15Å; L482-V485 VanDerWaalsContact O-O 3.12Å
483D64.5Low57.4Low138 Ų138121.9 Ų121.974%0.73868%0.681SS**G310 helixtrans-66.1-28.2174-34.8-20.3000114R481R481-D483 HydrophobicContact CB-CB 4.38Å; R481-D483 PolarHBondContact O-N 3.4Å
484D60.6Low56.4Low117 Ų117125.2 Ų125.263%0.62670%0.702SS**G310 helixtrans-89.8-10.5176.9-61.3-32.6000112V480 R481 L482 D486V480-D484 HydrophobicContact CG1-CB 3.76Å; R481-D484 HydrophobicContact CB-CB 4.4Å; R481-D484 WeakPolarHBondContact CB-OD2 3.38Å; R481-D484 WeakPolarHBondContact O-CA 3.47Å; R481-D484 WeakPolarHBondContact O-CB 3.4Å; R481-D484 PolarHBondContact O-N 2.99Å; L482-D484 VanDerWaalsContact C-N 3.33Å; L482-D484 PolarHBondContact O-N 3.43Å; D484-D486 PolarHBondContact O-N 2.82Å
485V52.4Low55.5Low66 Ų66125 Ų12540%0.470%0.703SS.*SBendtrans-80.8114.7165.6-168.70000104.8V480 R481 L482 V487V480-V485 HydrophobicContact CB-CG2 4.05Å; V480-V485 HydrophobicContact CG1-CG2 3.48Å; V480-V485 VanDerWaalsContact CG1-CG2 3.48Å; R481-V485 PolarHBondContact O-N 3.23Å; L482-V485 PolarHBondContact O-N 3.15Å; L482-V485 VanDerWaalsContact O-O 3.12Å; V485-V487 HydrophobicContact CB-CG2 4.12Å; V485-V487 HydrophobicContact CG1-CG2 4.12Å; V485-V487 PolarHBondContact O-N 3.15Å
486D55.6Low54.9Low167 Ų167130 Ų13089%0.89372%0.722SS**  trans-59.680.8157.5-82.7-33.2000106.3D484 A488D484-D486 PolarHBondContact O-N 2.82Å; D486-A488 PolarHBondContact O-N 2.83Å
487V55.1Low54.4Low90 Ų90131.1 Ų131.155%0.54572%0.721SS.*  trans-65.597.8162.3-171.20000101.4V485 V489V485-V487 HydrophobicContact CB-CG2 4.12Å; V485-V487 HydrophobicContact CG1-CG2 4.12Å; V485-V487 PolarHBondContact O-N 3.15Å; V487-V489 PolarHBondContact O-N 3.26Å
488A49.5Very low54.1Low90 Ų90131.6 Ų131.674%0.74471%0.713SS**  trans-53.991157.400000104.3D486 G490D486-A488 PolarHBondContact O-N 2.83Å; A488-G490 PolarHBondContact O-N 2.82Å
489V54.1Low53.9Low125 Ų125134.9 Ų134.976%0.75872%0.715SS**  trans-59.597.8163.7-176.50000101.3V487 E491V487-V489 PolarHBondContact O-N 3.26Å; V489-E491 PolarHBondContact O-N 2.79Å
490G46.8Very low53.3Low54 Ų54131.6 Ų131.656%0.55772%0.715SS**  trans-51.5117.2173.200000104.9A488 D492A488-G490 PolarHBondContact O-N 2.82Å; G490-D492 VanDerWaalsContact C-N 3.31Å; G490-D492 PolarHBondContact O-N 3.17Å
491E46.8Very low53.1Low175 Ų175134.5 Ų134.582%0.81873%0.726SS**  trans-53.9107.7166.7-72.7-179151.900105.5V489 K493V489-E491 PolarHBondContact O-N 2.79Å; E491-K493 PolarHBondContact O-N 2.85Å
492D49.2Very low52.8Low171 Ų171133.3 Ų133.391%0.91474%0.74SS**  trans-48.5112.4166.7-82.6-35.3000106.8G490G490-D492 VanDerWaalsContact C-N 3.31Å; G490-D492 PolarHBondContact O-N 3.17Å
493K38.7Very low52.1Low268 Ų268132.8 Ų132.8100%1.16574%0.742SS**  trans-99.20167-86.8-166.6176.7-178.80110.1E491E491-K493 PolarHBondContact O-N 2.85Å

Retrieved 493 of 493 residues in 1584.9 ms (Link to these results)

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