A0A077ZHP2_TRITR Loading...

Putative neurobeachin homolog

AlphaFold DB , UniProt , Accession A0A077ZHP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,705 aa.

>A0A077ZHP2_TRITR|A0A077ZHP2
MENAFILREGHHVRLMINLLDKCPSHLQAEILSVFIGIARRSNRNLEKCLENDLIRILLERLADANCMLHLLADLLIELLTVLTTYSVNVKDMNAVLRYLRASNKRWPCHSVKLLVVVKQMMRKDGPDIFFTLSGHPNSGIHIPPLSRWPYQNGWSFVTWLRLDPETSGNFEEDMPYLFSFRTRSGFGHSCHFVGGCMVLTANKSKGGQALQQCIKYEFQLRKWYHVALAYSFSRWGRSEVHCYINGQRTSVVDLNWHVNTNEQYDRCFVGCSPDTNVKNSFSGQLSALYLFSETLSLQQVNSLYYLGPNYQSCFKFKNEVDIPSAYLKYLFDGKLAGSLVFAYCPKNCDRQLCLNSVNKENQVHFRQTTHAVMMDGVRVVVTHSIYTSLHSVGGVQILLPLLSQLDLRSFNFSSILLSIFSQLLQSSPDVQLQMMQSNAFLVIGVALTAADKAHMTESVLNTLIDTAQFLMVPSATNLGLLRQLFDYVLLNPDLWINTDGKVGVTRLYGYLATDFFNGAKIFNSMRRVTTVMQLLHALKFYYWVTDPLSVSCFLDGPRPSVEQITAIRTYILTLLFKIIVKDEPNAQSADEVEAILNFLTTVHEDDNLIDVLQTLIRLMAENPATLVPTFDKKKGLIGADGEMVRLLALKLLGFFLCRCTAKRKQDAMTPHNLYTLLVDSSSKENRRSILQMSVWQDWLISLTSLRPKSPAEQSILKLVYQLFSTLLHHAIRLEFGGWRVWIDTMAIIHSKVNFLSRFGANPPAGLAVPLYRIPEFRWSSAHLTLLSDLLLSIESDIAAWKNDGSRTLIDFINQSENAVFVVNSVHVISQSLDNFIVACGGLLPLLAALTSPNTDLDIVDTTSQGLPVKVAISFLIRLANLADVIVFGTACNFADLEHEKNMPNGGIMRQILRLAVRVSLPFSDHSGLDVYRLKAAVYRDIEESRQCQFLALATVYFISVLMVSRYRDILEPPSSPSPFHNTGMAGSNWDQVDKREHKNYYITHGWTCASYISSGSDKSESIAAESAVQKGDKPDERLAENHDAQDKLVERKNSFNRERQALLTARLRNALDPVAPLFREIISDFQSYFQKTLLGTHGQEIMNDHKVLNTLRNPSVSVVELVMLLCSQEWQTSLQKHAGLAFIELVNEGRLLAHATRDHLVRVANEAEYILNRIRAEDVVKHAEFEALCAQAVVTCKEEENTCNLLLSAARRRNVIISRRILQKIVNILNSDYGYWTLDLWEDDSRRRKRLIPNPYGSSHPEATLKAIEVEEARDALAAYLSGKNIALPSLTPSSASDELVTESEVNLWNDEKETEQNQHASCLITPCHLIAPGLALPGILSVTANEVAFDAKEDEPEFKRADPQVVRYCEHLHGRWHTGEIRAIFLRCYLLQYRALELFMASRTAVMFAFGDQSAVKQVVKQLPPVGVGVKYGIAQNRKASLMTPRQLFKLSDMPQKWQKREISNFDYLMFLNTIAGRTYNDLNQYPVFPWILSNYESKELDLKQPANFRDLSKRFLSLLVKSRRSTTAPITQLPCLLICFCLQEPFTTLFLNLQGGKFDHADRMFHSIGESWTRCLRDTHDVKELIPEFFYLPEILLNINGYNLGKRDDGTIMGDVKLPPWAKSAEHFISIHRQQRFREKLPIHELFNYSSSGHRVFTGEAFALLVILIFQVNRQVNIWSFFQERKRDRLAYILDRQINCVV
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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
1M39Very low65.9Low225 Ų225104.5 Ų104.5100%1.10851%0.511SS*.  0-33.50-88.6-171.6-86.600113N3 A4M1-N3 PolarHBondContact O-N 3.29Å; M1-A4 PolarHBondContact O-N 3.36Å
2E38.4Very low67.5Low165 Ų165103.9 Ų103.977%0.77151%0.506SS*.THydrogen-bonded Turntrans-55.1-0.3-176.5-60.9-177.6121.700118.4F5E2-F5 WeakPolarHBondContact O-CD2 3.28Å; E2-F5 WeakPolarHBondContact O-CE2 3.31Å
3N50.7Low69Low99 Ų9996.3 Ų96.353%0.52947%0.47SS..THydrogen-bonded Turntrans-102.1-14.1173.5-71.6-17.5000113.2M1 F5 T167M1-N3 PolarHBondContact O-N 3.29Å; N3-F5 PolarHBondContact O-N 3.18Å; N3-T167 HydrophobicContact CB-CG2 4.31Å
4A58.7Low69.9Low84 Ų8497.9 Ų97.969%0.69447%0.468SS*.  trans-96.964.3-174.100000112.4M1M1-A4 PolarHBondContact O-N 3.36Å
5F69.7Low70.9Confident61 Ų6197.7 Ų97.727%0.26847%0.47SS..  trans-89.47.8-178.5-71.6-63.2000115.1E2 N3 I38 R41 N45E2-F5 WeakPolarHBondContact O-CD2 3.28Å; E2-F5 WeakPolarHBondContact O-CE2 3.31Å; N3-F5 PolarHBondContact O-N 3.18Å; F5-I38 HydrophobicContact CD1-CG1 4.11Å; F5-R41 HydrophobicContact CB-CB 4.46Å; F5-N45 PolarHBondContact O-ND2 3.35Å
6I76.8Confident72Confident48 Ų4894.6 Ų94.625%0.24646%0.455CS..  trans-93.7125.6-178.8-64.4178.4000110.8R8 N45 E166I6-R8 PolarHBondContact O-N 3.07Å; I6-R8 VanDerWaalsContact O-N 3.12Å; I6-N45 WeakPolarHBondContact CA-OD1 3.49Å; I6-E166 HydrophobicContact CD1-CB 3.82Å; I6-E166 HydrophobicContact CD1-CG 3.92Å
7L79.1Confident72.8Confident42 Ų4289.2 Ų89.222%0.2243%0.429CS..  trans-69.4101.8173.6-65.7174.6000110.1V13 F35 I38 N45L7-V13 HydrophobicContact CD1-CG2 3.88Å; L7-F35 HydrophobicContact CD1-CE2 4.19Å; L7-I38 HydrophobicContact CD2-CG2 4.42Å; L7-I38 HydrophobicContact CG-CG2 4.43Å; L7-N45 HydrophobicContact CD1-CB 3.91Å; L7-N45 HydrophobicContact CG-CB 4.26Å; L7-N45 PolarHBondContact N-OD1 2.92Å
8R76.7Confident73.3Confident229 Ų22988.4 Ų88.486%0.86443%0.428SS*.SBendtrans-63.1-44.3177.6-66.8-175.3175.1-171.6-2.9112.5I6I6-R8 PolarHBondContact O-N 3.07Å; I6-R8 VanDerWaalsContact O-N 3.12Å
9E80.1Confident74Confident98 Ų9889.7 Ų89.746%0.45844%0.437SS..  trans-130.1120.6-170.6-74.3171.9-141.400110.5H11 H12E9-H11 IonicContact OE2-CE1 2.65Å; E9-H11 PolarHBondContact OE2-CE1 3.05Å; E9-H12 WeakPolarHBondContact CB-ND1 3.42Å; E9-H12 IonicContact OE2-CE1 3.26Å; E9-H12 PolarHBondContact OE2-CE1 2.93Å; E9-H12 IonicContact OE2-ND1 3.46Å; E9-H12 IonicContact OE2-NE2 3.32Å
10G74.5Confident74.5Confident2 Ų285.8 Ų85.82%0.02142%0.418CS..SBendtrans-76.5-29.3-170.400000114.9H12 V13 K48G10-H12 PolarHBondContact O-N 2.99Å; G10-V13 VanDerWaalsContact O-CB 3.27Å; G10-V13 WeakPolarHBondContact O-CB 3.26Å; G10-V13 WeakPolarHBondContact O-CG2 3.38Å; G10-V13 PolarHBondContact O-N 3.46Å; G10-K48 VanDerWaalsContact CA-CG 3.4Å; G10-K48 VanDerWaalsContact N-CE 3.33Å
11H81.8Confident74.6Confident96 Ų9685.6 Ų85.644%0.44442%0.419SS..Hα-helixtrans-64.6-26-17972.6-94000112E9 V13 R14 L15 N52E9-H11 IonicContact OE2-CE1 2.65Å; E9-H11 PolarHBondContact OE2-CE1 3.05Å; H11-V13 PolarHBondContact O-N 2.87Å; H11-R14 PolarHBondContact O-N 3.37Å; H11-L15 PolarHBondContact O-N 2.96Å; H11-N52 PolarHBondContact N-OD1 3.16Å
12H85.1Confident76.8Confident98 Ų9883.4 Ų83.445%0.45440%0.403SS..Hα-helixtrans-59.7-30.5170.3-66.7140.2000113.4E9 G10 R14 L15 M16E9-H12 WeakPolarHBondContact CB-ND1 3.42Å; E9-H12 IonicContact OE2-CE1 3.26Å; E9-H12 PolarHBondContact OE2-CE1 2.93Å; E9-H12 IonicContact OE2-ND1 3.46Å; E9-H12 IonicContact OE2-NE2 3.32Å; G10-H12 PolarHBondContact O-N 2.99Å; H12-R14 VanDerWaalsContact C-N 3.34Å; H12-R14 PolarHBondContact O-N 3.25Å; H12-L15 PolarHBondContact O-N 3.26Å; H12-M16 WeakPolarHBondContact O-CB 3.43Å; H12-M16 PolarHBondContact O-N 2.73Å
13V85.9Confident79.1Confident5 Ų577.1 Ų77.13%0.0338%0.377CS..Hα-helixtrans-62.6-44176.4-179.50000110.3L7 G10 H11 M16 I17 F35 L54L7-V13 HydrophobicContact CD1-CG2 3.88Å; G10-V13 VanDerWaalsContact O-CB 3.27Å; G10-V13 WeakPolarHBondContact O-CB 3.26Å; G10-V13 WeakPolarHBondContact O-CG2 3.38Å; G10-V13 PolarHBondContact O-N 3.46Å; H11-V13 PolarHBondContact O-N 2.87Å; V13-M16 PolarHBondContact O-N 2.82Å; V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 3.22Å; V13-F35 HydrophobicContact CG1-CE1 4.33Å; V13-F35 HydrophobicContact CG1-CE2 4.31Å; V13-F35 HydrophobicContact CG1-CZ 3.62Å; V13-F35 HydrophobicContact CG2-CE2 4.37Å; V13-F35 HydrophobicContact CG2-CZ 4.27Å; V13-L54 HydrophobicContact CG1-CD1 4.3Å; V13-L54 HydrophobicContact CG1-CD2 3.93Å
14R82.6Confident80.8Confident119 Ų11975.7 Ų75.745%0.44937%0.373SS..Hα-helixtrans-67-38.5178.3-170.1166.4-175.7161.71.1112H11 H12 N18 I57H11-R14 PolarHBondContact O-N 3.37Å; H12-R14 VanDerWaalsContact C-N 3.34Å; H12-R14 PolarHBondContact O-N 3.25Å; R14-N18 VanDerWaalsContact O-CG 3.24Å; R14-N18 PolarHBondContact O-N 2.79Å; R14-N18 VanDerWaalsContact O-N 3.13Å; R14-N18 PolarHBondContact O-ND2 3.39Å; R14-I57 HydrophobicContact CG-CD1 3.97Å
15L85.1Confident82Confident94 Ų9474.4 Ų74.449%0.49236%0.359SS..Hα-helixtrans-65-46174-69.3170.7000112H11 H12 I17 N18 L19H11-L15 PolarHBondContact O-N 2.96Å; H12-L15 PolarHBondContact O-N 3.26Å; L15-I17 PolarHBondContact O-N 3.08Å; L15-N18 PolarHBondContact O-N 3.15Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.24Å
16M87.8Confident82.7Confident48 Ų4877.3 Ų77.324%0.23637%0.373CS..Hα-helixtrans-57.4-49.3176.1179.8-160.876.700111.3H12 V13 N18 L19 L20 I31 F35H12-M16 WeakPolarHBondContact O-CB 3.43Å; H12-M16 PolarHBondContact O-N 2.73Å; V13-M16 PolarHBondContact O-N 2.82Å; M16-N18 VanDerWaalsContact C-N 3.28Å; M16-N18 PolarHBondContact O-N 3.3Å; M16-L19 WeakPolarHBondContact O-CB 3.27Å; M16-L19 PolarHBondContact O-N 2.89Å; M16-L19 VanDerWaalsContact O-N 3.07Å; M16-L20 WeakPolarHBondContact O-CG 3.1Å; M16-L20 PolarHBondContact O-N 3.24Å; M16-I31 HydrophobicContact CG-CG2 4.44Å; M16-I31 HydrophobicContact SD-CG2 4.27Å; M16-F35 HydrophobicContact CE-CB 4.28Å; M16-F35 HydrophobicContact CE-CD1 3.87Å; M16-F35 HydrophobicContact CE-CD2 3.62Å; M16-F35 HydrophobicContact CE-CE1 4.07Å; M16-F35 HydrophobicContact CE-CE2 3.84Å; M16-F35 HydrophobicContact CE-CG 3.64Å; M16-F35 HydrophobicContact CE-CZ 4.06Å; M16-F35 HydrophobicContact SD-CD2 3.85Å; M16-F35 HydrophobicContact SD-CE2 4.29Å; M16-F35 HydrophobicContact SD-CG 4.24Å
17I84.9Confident83.4Confident3 Ų377.9 Ų77.92%0.01538%0.376CS..Hα-helixtrans-61.2-36.1178.7-68-67.2000111.8V13 L15 L20 L32 L54 I57 R61V13-I17 VanDerWaalsContact O-CG1 3.27Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 3.22Å; L15-I17 PolarHBondContact O-N 3.08Å; I17-L20 HydrophobicContact CD1-CD1 3.92Å; I17-L20 WeakPolarHBondContact O-CB 3.23Å; I17-L20 PolarHBondContact O-N 3.01Å; I17-L32 HydrophobicContact CD1-CD2 4.38Å; I17-L54 HydrophobicContact CD1-CD1 4.33Å; I17-L54 HydrophobicContact CG1-CD1 3.88Å; I17-I57 HydrophobicContact CG2-CG2 3.73Å; I17-R61 PolarHBondContact O-NH2 2.92Å
18N82.5Confident83.8Confident76 Ų7677.8 Ų77.841%0.40638%0.375SS..Hα-helixtrans-75.6-24175.1-68.3-8.8000113.6R14 L15 M16 R61R14-N18 VanDerWaalsContact O-CG 3.24Å; R14-N18 PolarHBondContact O-N 2.79Å; R14-N18 VanDerWaalsContact O-N 3.13Å; R14-N18 PolarHBondContact O-ND2 3.39Å; L15-N18 PolarHBondContact O-N 3.15Å; M16-N18 VanDerWaalsContact C-N 3.28Å; M16-N18 PolarHBondContact O-N 3.3Å; N18-R61 PolarHBondContact OD1-NH2 3.46Å
19L86.1Confident84.3Confident112 Ų11267.3 Ų67.359%0.58634%0.337SS*.Hα-helixtrans-76.4-28.1172.9-78.8160.1000112.4L15 M16 D21 K22 C23L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 3.24Å; M16-L19 WeakPolarHBondContact O-CB 3.27Å; M16-L19 PolarHBondContact O-N 2.89Å; M16-L19 VanDerWaalsContact O-N 3.07Å; L19-D21 PolarHBondContact O-N 2.93Å; L19-K22 PolarHBondContact O-N 3.48Å; L19-C23 PolarHBondContact O-SG 2.97Å; L19-C23 VanDerWaalsContact O-SG 3.34Å
20L84.3Confident84.8Confident11 Ų1168.3 Ų68.36%0.05834%0.342CS..Hα-helixtrans-55.7-35.6174.3-70178.8000112.1M16 I17 K22 C23 Q28 I31 L32M16-L20 WeakPolarHBondContact O-CG 3.1Å; M16-L20 PolarHBondContact O-N 3.24Å; I17-L20 HydrophobicContact CD1-CD1 3.92Å; I17-L20 WeakPolarHBondContact O-CB 3.23Å; I17-L20 PolarHBondContact O-N 3.01Å; L20-K22 PolarHBondContact O-N 3.4Å; L20-C23 WeakPolarHBondContact O-CB 3.38Å; L20-C23 PolarHBondContact O-N 2.96Å; L20-Q28 HydrophobicContact CB-CG 4.34Å; L20-Q28 HydrophobicContact CD2-CG 4.45Å; L20-Q28 WeakPolarHBondContact O-CG 3.46Å; L20-Q28 PolarHBondContact O-NE2 3.23Å; L20-I31 HydrophobicContact CD2-CB 3.8Å; L20-I31 HydrophobicContact CD2-CD1 3.9Å; L20-I31 HydrophobicContact CD2-CG1 4.46Å; L20-I31 HydrophobicContact CD2-CG2 3.7Å; L20-L32 HydrophobicContact CD1-CD2 3.68Å; L20-L32 HydrophobicContact CD1-CG 3.9Å
21D77.6Confident85.6Confident82 Ų8270.8 Ų70.844%0.43935%0.354SS..THydrogen-bonded Turntrans-60.9-17177-64.9-40.7000114.5L19 R61L19-D21 PolarHBondContact O-N 2.93Å; D21-R61 IonicContact OD1-CZ 3.22Å; D21-R61 IonicContact OD1-NH1 3.49Å; D21-R61 PolarHBondContact OD1-NH1 3.04Å; D21-R61 IonicContact OD1-NH2 3.81Å; D21-R61 IonicContact OD2-CZ 2.7Å; D21-R61 VanDerWaalsContact OD2-CZ 3.27Å; D21-R61 IonicContact OD2-NH1 3.82Å; D21-R61 PolarHBondContact OD2-NH1 3.06Å; D21-R61 IonicContact OD2-NH2 2.61Å; D21-R61 PolarHBondContact OD2-NH2 3.05Å
22K85Confident86Confident180 Ų18066.5 Ų66.578%0.78333%0.334SS*.THydrogen-bonded Turntrans-101.2-5.5177.2-52.4-53.1179.1-168.90112.6L19 L20L19-K22 PolarHBondContact O-N 3.48Å; L20-K22 PolarHBondContact O-N 3.4Å
23C86.3Confident86.3Confident33 Ų3364.6 Ų64.622%0.22333%0.332CS..SBendtrans-92.9148.2-179.8-620000111.2L19 L20 L27 Q28L19-C23 PolarHBondContact O-SG 2.97Å; L19-C23 VanDerWaalsContact O-SG 3.34Å; L20-C23 WeakPolarHBondContact O-CB 3.38Å; L20-C23 PolarHBondContact O-N 2.96Å; C23-L27 HydrophobicContact CB-CB 4.4Å; C23-L27 HydrophobicContact CB-CD2 4.08Å; C23-L27 HydrophobicContact CB-CG 4.35Å; C23-Q28 HydrophobicContact CB-CG 3.94Å; C23-Q28 PolarHBondContact O-NE2 3.46Å
24P87.4Confident86.4Confident69 Ų6968.9 Ų68.945%0.44836%0.358SS..  trans-65.3154.9169.528.9-35.1000111.5H26 L27 Q28P24-H26 VanDerWaalsContact C-N 3.31Å; P24-H26 VanDerWaalsContact CG-CE1 3.42Å; P24-H26 WeakPolarHBondContact CG-CE1 3.34Å; P24-H26 PolarHBondContact O-N 3.5Å; P24-L27 HydrophobicContact CG-CB 4.04Å; P24-L27 PolarHBondContact O-N 2.79Å; P24-Q28 PolarHBondContact O-N 3.18Å
25S82.4Confident86.8Confident57 Ų5763.5 Ų63.540%0.39934%0.338SS..Hα-helixtrans-58.9-32.3-170.253.50000115.4A29S25-A29 PolarHBondContact O-N 3.34Å
26H85.8Confident87.1Confident122 Ų12259.2 Ų59.257%0.56532%0.316SS*.Hα-helixtrans-65-45.8174.770-91.7000111.4P24 Q28 A29 E30P24-H26 VanDerWaalsContact C-N 3.31Å; P24-H26 VanDerWaalsContact CG-CE1 3.42Å; P24-H26 WeakPolarHBondContact CG-CE1 3.34Å; P24-H26 PolarHBondContact O-N 3.5Å; H26-Q28 VanDerWaalsContact C-N 3.34Å; H26-Q28 PolarHBondContact O-N 3.14Å; H26-A29 WeakPolarHBondContact O-CB 3.26Å; H26-A29 PolarHBondContact O-N 3.38Å; H26-A29 VanDerWaalsContact O-N 3.14Å; H26-E30 PolarHBondContact O-N 3.38Å
27L89.7Confident87.1Confident60 Ų6058.6 Ų58.631%0.31432%0.321SS..Hα-helixtrans-69.1-35179.5-174.763.4000111.1C23 P24 A29 E30 I31C23-L27 HydrophobicContact CB-CB 4.4Å; C23-L27 HydrophobicContact CB-CD2 4.08Å; C23-L27 HydrophobicContact CB-CG 4.35Å; P24-L27 HydrophobicContact CG-CB 4.04Å; P24-L27 PolarHBondContact O-N 2.79Å; L27-A29 VanDerWaalsContact C-N 3.32Å; L27-A29 PolarHBondContact O-N 3.29Å; L27-E30 PolarHBondContact O-N 2.77Å; L27-I31 HydrophobicContact CD1-CD1 4.1Å; L27-I31 HydrophobicContact CD1-CG1 4.3Å; L27-I31 HydrophobicContact CG-CD1 3.84Å; L27-I31 HydrophobicContact CG-CG1 4.44Å; L27-I31 WeakPolarHBondContact O-CB 3.49Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.1Å
28Q88.1Confident87.2Confident39 Ų3960.3 Ų60.318%0.18233%0.33CS..Hα-helixtrans-58.8-44.7169.8-66.6-178.218.300111.8L20 C23 P24 H26 L32 L72L20-Q28 HydrophobicContact CB-CG 4.34Å; L20-Q28 HydrophobicContact CD2-CG 4.45Å; L20-Q28 WeakPolarHBondContact O-CG 3.46Å; L20-Q28 PolarHBondContact O-NE2 3.23Å; C23-Q28 HydrophobicContact CB-CG 3.94Å; C23-Q28 PolarHBondContact O-NE2 3.46Å; P24-Q28 PolarHBondContact O-N 3.18Å; H26-Q28 VanDerWaalsContact C-N 3.34Å; H26-Q28 PolarHBondContact O-N 3.14Å; Q28-L32 VanDerWaalsContact O-CB 3.3Å; Q28-L32 WeakPolarHBondContact O-CB 3.39Å; Q28-L32 VanDerWaalsContact O-CG 3.25Å; Q28-L32 WeakPolarHBondContact O-CG 3.45Å; Q28-L32 PolarHBondContact O-N 3.48Å; Q28-L72 HydrophobicContact CB-CD2 3.63Å
29A87.6Confident87.5Confident9 Ų956.7 Ų56.77%0.07431%0.311CS..Hα-helixtrans-66.6-42.6179.900000112.3S25 H26 L27 S33 L71 L72 L75S25-A29 PolarHBondContact O-N 3.34Å; H26-A29 WeakPolarHBondContact O-CB 3.26Å; H26-A29 PolarHBondContact O-N 3.38Å; H26-A29 VanDerWaalsContact O-N 3.14Å; L27-A29 VanDerWaalsContact C-N 3.32Å; L27-A29 PolarHBondContact O-N 3.29Å; A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.11Å; A29-S33 PolarHBondContact O-N 2.77Å; A29-S33 PolarHBondContact O-OG 3.04Å; A29-L71 HydrophobicContact CB-CD2 3.99Å; A29-L71 HydrophobicContact CB-CG 4.49Å; A29-L72 HydrophobicContact CB-CD2 3.92Å; A29-L75 HydrophobicContact CB-CD1 3.81Å
30E90.5Very high87.5Confident120 Ų12057.7 Ų57.756%0.56131%0.307SS*.Hα-helixtrans-60.9-50.8174.9-73.4-178.5170.400111.9H26 L27 L32 S33 V34H26-E30 PolarHBondContact O-N 3.38Å; L27-E30 PolarHBondContact O-N 2.77Å; E30-L32 PolarHBondContact O-N 3.29Å; E30-S33 PolarHBondContact O-N 2.82Å; E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.42Å
31I90.7Very high87.4Confident54 Ų5462.6 Ų62.628%0.27733%0.325SS..Hα-helixtrans-62.7-43.2-179.9-65.4167.7000110.8M16 L20 L27 V34 F35M16-I31 HydrophobicContact CG-CG2 4.44Å; M16-I31 HydrophobicContact SD-CG2 4.27Å; L20-I31 HydrophobicContact CD2-CB 3.8Å; L20-I31 HydrophobicContact CD2-CD1 3.9Å; L20-I31 HydrophobicContact CD2-CG1 4.46Å; L20-I31 HydrophobicContact CD2-CG2 3.7Å; L27-I31 HydrophobicContact CD1-CD1 4.1Å; L27-I31 HydrophobicContact CD1-CG1 4.3Å; L27-I31 HydrophobicContact CG-CD1 3.84Å; L27-I31 HydrophobicContact CG-CG1 4.44Å; L27-I31 WeakPolarHBondContact O-CB 3.49Å; L27-I31 VanDerWaalsContact O-CG1 3.25Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.1Å; I31-V34 PolarHBondContact O-N 3.27Å; I31-F35 WeakPolarHBondContact O-CB 3.21Å; I31-F35 PolarHBondContact O-N 2.84Å
32L90.4Very high87.5Confident5 Ų558.8 Ų58.83%0.02630%0.304CS..Hα-helixtrans-63.3-42.1176.2-75.3172.1000111.8I17 L20 Q28 E30 F35 I36 L72 L75 L76I17-L32 HydrophobicContact CD1-CD2 4.38Å; L20-L32 HydrophobicContact CD1-CD2 3.68Å; L20-L32 HydrophobicContact CD1-CG 3.9Å; Q28-L32 VanDerWaalsContact O-CB 3.3Å; Q28-L32 WeakPolarHBondContact O-CB 3.39Å; Q28-L32 VanDerWaalsContact O-CG 3.25Å; Q28-L32 WeakPolarHBondContact O-CG 3.45Å; Q28-L32 PolarHBondContact O-N 3.48Å; E30-L32 PolarHBondContact O-N 3.29Å; L32-F35 PolarHBondContact O-N 2.86Å; L32-I36 WeakPolarHBondContact O-CB 3.49Å; L32-I36 WeakPolarHBondContact O-CD1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.2Å; L32-I36 PolarHBondContact O-N 2.81Å; L32-L72 HydrophobicContact CD1-CD2 4.11Å; L32-L75 HydrophobicContact CB-CB 4.2Å; L32-L75 HydrophobicContact CB-CD1 4.16Å; L32-L75 HydrophobicContact CD1-CB 4.28Å; L32-L76 HydrophobicContact CD1-CD2 4.25Å; L32-L76 HydrophobicContact CD2-CD2 4.4Å
33S91Very high87.6Confident58 Ų5851.3 Ų51.341%0.40627%0.273SS..Hα-helixtrans-62.9-45.6178-59.30000111.8A29 E30 I36 G37 L75A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.11Å; A29-S33 PolarHBondContact O-N 2.77Å; A29-S33 PolarHBondContact O-OG 3.04Å; E30-S33 PolarHBondContact O-N 2.82Å; S33-I36 PolarHBondContact O-N 2.7Å; S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.09Å; S33-L75 WeakPolarHBondContact OG-CD2 3.44Å
34V89.4Confident87.4Confident96 Ų9651.3 Ų51.358%0.58227%0.268SS*.Hα-helixtrans-62.4-43.4174.2172.60000110.7E30 I31 G37 I38E30-V34 WeakPolarHBondContact O-CG2 3.37Å; E30-V34 PolarHBondContact O-N 3.42Å; I31-V34 PolarHBondContact O-N 3.27Å; V34-G37 WeakPolarHBondContact O-CA 3.43Å; V34-G37 PolarHBondContact O-N 3.23Å; V34-G37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CD1 3.97Å; V34-I38 WeakPolarHBondContact O-CG1 3.29Å; V34-I38 PolarHBondContact O-N 3.37Å
35F90.7Very high87.4Confident6 Ų648 Ų483%0.02625%0.247CC..Hα-helixtrans-66.8-38.7-180-174.8-107.4000113.2L7 V13 M16 I31 L32 G37 I38 A39 L54 L79L7-F35 HydrophobicContact CD1-CE2 4.19Å; V13-F35 HydrophobicContact CG1-CE1 4.33Å; V13-F35 HydrophobicContact CG1-CE2 4.31Å; V13-F35 HydrophobicContact CG1-CZ 3.62Å; V13-F35 HydrophobicContact CG2-CE2 4.37Å; V13-F35 HydrophobicContact CG2-CZ 4.27Å; M16-F35 HydrophobicContact CE-CB 4.28Å; M16-F35 HydrophobicContact CE-CD1 3.87Å; M16-F35 HydrophobicContact CE-CD2 3.62Å; M16-F35 HydrophobicContact CE-CE1 4.07Å; M16-F35 HydrophobicContact CE-CE2 3.84Å; M16-F35 HydrophobicContact CE-CG 3.64Å; M16-F35 HydrophobicContact CE-CZ 4.06Å; M16-F35 HydrophobicContact SD-CD2 3.85Å; M16-F35 HydrophobicContact SD-CE2 4.29Å; M16-F35 HydrophobicContact SD-CG 4.24Å; I31-F35 WeakPolarHBondContact O-CB 3.21Å; I31-F35 PolarHBondContact O-N 2.84Å; L32-F35 PolarHBondContact O-N 2.86Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 3.33Å; F35-I38 PolarHBondContact O-N 2.94Å; F35-A39 WeakPolarHBondContact O-CB 3.23Å; F35-A39 PolarHBondContact O-N 2.9Å; F35-L54 HydrophobicContact CE1-CD2 4.08Å; F35-L54 HydrophobicContact CZ-CD2 4.42Å; F35-L79 HydrophobicContact CD1-CD1 4.19Å; F35-L79 HydrophobicContact CD1-CD2 3.95Å; F35-L79 HydrophobicContact CE1-CD1 4.14Å; F35-L79 HydrophobicContact CE1-CD2 4.02Å
36I91.6Very high87.7Confident4 Ų445.8 Ų45.82%0.02123%0.231CC..Hα-helixtrans-59.9-41.8170.7-70.2159.8000110.1L32 S33 A39 R40 L75 E78 L79L32-I36 WeakPolarHBondContact O-CB 3.49Å; L32-I36 WeakPolarHBondContact O-CD1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.2Å; L32-I36 PolarHBondContact O-N 2.81Å; S33-I36 PolarHBondContact O-N 2.7Å; I36-A39 PolarHBondContact O-N 3.21Å; I36-R40 WeakPolarHBondContact O-CB 3.48Å; I36-R40 WeakPolarHBondContact O-CG 3.32Å; I36-R40 PolarHBondContact O-N 3.33Å; I36-L75 HydrophobicContact CD1-CB 4.12Å; I36-L75 HydrophobicContact CD1-CD2 3.82Å; I36-L75 WeakPolarHBondContact CD1-O 3.35Å; I36-E78 HydrophobicContact CD1-CB 4.32Å; I36-E78 HydrophobicContact CD1-CG 4.4Å; I36-E78 HydrophobicContact CG2-CG 4.21Å; I36-L79 HydrophobicContact CD1-CB 4.29Å; I36-L79 HydrophobicContact CG1-CB 3.89Å; I36-L79 HydrophobicContact CG1-CD1 4.04Å; I36-L79 HydrophobicContact CG1-CG 4.42Å
37G87.9Confident87.8Confident35 Ų3540.6 Ų40.636%0.36121%0.206SC..Hα-helixtrans-57.8-47.7172.500000112.8S33 V34 F35 R41S33-G37 PolarHBondContact O-N 2.99Å; S33-G37 VanDerWaalsContact O-N 3.09Å; V34-G37 WeakPolarHBondContact O-CA 3.43Å; V34-G37 PolarHBondContact O-N 3.23Å; V34-G37 VanDerWaalsContact O-N 3.16Å; F35-G37 VanDerWaalsContact C-N 3.28Å; F35-G37 PolarHBondContact O-N 3.33Å; G37-R41 VanDerWaalsContact O-CG 3.23Å; G37-R41 WeakPolarHBondContact O-CG 3.46Å; G37-R41 PolarHBondContact O-N 3.4Å
38I87Confident87.6Confident38 Ų3840.5 Ų40.520%0.19520%0.204CC..Hα-helixtrans-62.5-47.5176.6-66.2167.3000111F5 L7 V34 F35 R40 R41 N45F5-I38 HydrophobicContact CD1-CG1 4.11Å; L7-I38 HydrophobicContact CD2-CG2 4.42Å; L7-I38 HydrophobicContact CG-CG2 4.43Å; V34-I38 HydrophobicContact CG1-CD1 3.97Å; V34-I38 WeakPolarHBondContact O-CG1 3.29Å; V34-I38 PolarHBondContact O-N 3.37Å; F35-I38 PolarHBondContact O-N 2.94Å; I38-R40 PolarHBondContact O-N 2.89Å; I38-R41 PolarHBondContact O-N 3.35Å; I38-R41 VanDerWaalsContact O-N 3.09Å; I38-N45 PolarHBondContact O-ND2 3.38Å
39A87.9Confident87.8Confident0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-59.4-45.4179.600000111.4F35 I36 R41 L46 L79F35-A39 WeakPolarHBondContact O-CB 3.23Å; F35-A39 PolarHBondContact O-N 2.9Å; I36-A39 PolarHBondContact O-N 3.21Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.89Å; A39-L46 HydrophobicContact CB-CD2 3.86Å; A39-L46 WeakPolarHBondContact O-CD2 3.43Å; A39-L79 HydrophobicContact CB-CD1 4.25Å
40R86.6Confident87.8Confident134 Ų13440.1 Ų40.151%0.50620%0.201SC..Hα-helixtrans-63.8-24.1175.4-76.9180169.7150.33.9114.1I36 I38 E78 V82I36-R40 WeakPolarHBondContact O-CB 3.48Å; I36-R40 WeakPolarHBondContact O-CG 3.32Å; I36-R40 PolarHBondContact O-N 3.33Å; I38-R40 PolarHBondContact O-N 2.89Å; R40-E78 IonicContact CZ-OE1 2.61Å; R40-E78 IonicContact NH1-OE1 3.66Å; R40-E78 PolarHBondContact NH1-OE1 3.47Å; R40-E78 VanDerWaalsContact NH2-CG 3.28Å; R40-E78 IonicContact NH2-OE1 3.63Å; R40-E78 PolarHBondContact NH2-OE1 3.18Å; R40-V82 HydrophobicContact CG-CG1 3.88Å; R40-V82 HydrophobicContact CG-CG2 3.81Å; R40-V82 VanDerWaalsContact NE-CG2 3.31Å
41R81.1Confident87.6Confident114 Ų11439.2 Ų39.243%0.4320%0.197SC..Hα-helixtrans-69.4-30.9-175.1-74.9-132.2-175.9-167.72.5114F5 G37 I38 A39 R222F5-R41 HydrophobicContact CB-CB 4.46Å; G37-R41 VanDerWaalsContact O-CG 3.23Å; G37-R41 WeakPolarHBondContact O-CG 3.46Å; G37-R41 PolarHBondContact O-N 3.4Å; I38-R41 PolarHBondContact O-N 3.35Å; I38-R41 VanDerWaalsContact O-N 3.09Å; A39-R41 VanDerWaalsContact C-N 3.25Å; A39-R41 PolarHBondContact O-N 2.89Å; R41-R222 WeakPolarHBondContact O-CD 3.46Å; R41-R222 PolarHBondContact O-NE 2.93Å; R41-R222 PolarHBondContact O-NH1 3.38Å
42S81.2Confident87.4Confident2 Ų238.2 Ų38.21%0.01419%0.192CC..  trans-153.5143178.4174.70000112.6R44 N45 D164S42-R44 PolarHBondContact O-N 3.36Å; S42-R44 PolarHBondContact OG-N 2.99Å; S42-N45 WeakPolarHBondContact O-CB 3.36Å; S42-N45 PolarHBondContact O-N 3.23Å; S42-D164 PolarHBondContact OG-OD2 3.3Å
43N85.5Confident87.2Confident23 Ų2342.4 Ų42.412%0.12322%0.215CC..Hα-helixtrans-64.1-24.8177.1-67.525.7000111.9N45 L46 E47 Y86 R162N43-N45 PolarHBondContact O-N 2.89Å; N43-L46 WeakPolarHBondContact O-CB 3.38Å; N43-L46 PolarHBondContact O-N 2.83Å; N43-L46 VanDerWaalsContact O-N 3.08Å; N43-E47 WeakPolarHBondContact O-CG 3.26Å; N43-E47 PolarHBondContact O-N 3.14Å; N43-Y86 HydrophobicContact CB-CE2 3.96Å; N43-Y86 WeakPolarHBondContact ND2-CE2 3.37Å; N43-R162 PolarHBondContact ND2-NH1 3.31Å; N43-R162 PolarHBondContact OD1-NH1 3.2Å; N43-R162 PolarHBondContact OD1-NH2 2.93Å
44R82Confident87.2Confident32 Ų3239.7 Ų39.712%0.12120%0.196CC..Hα-helixtrans-59.4-34.4173.6-55.8-176.6-165.8-158.39.2111.8S42 K48 S134 D164 E166 S283S42-R44 PolarHBondContact O-N 3.36Å; S42-R44 PolarHBondContact OG-N 2.99Å; R44-K48 WeakPolarHBondContact O-CB 3.26Å; R44-K48 PolarHBondContact O-N 2.68Å; R44-S134 PolarHBondContact NH2-O 3.18Å; R44-D164 PolarHBondContact NH2-O 3Å; R44-E166 IonicContact CZ-OE1 2.57Å; R44-E166 IonicContact NH1-OE1 3.31Å; R44-E166 PolarHBondContact NH1-OE1 2.79Å; R44-S283 PolarHBondContact NH2-OG 3.49Å
45N87.8Confident87.3Confident0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-70.7-40.8175.2-65.3-17.6000111.2F5 I6 L7 I38 S42 N43 K48 C49F5-N45 PolarHBondContact O-ND2 3.35Å; I6-N45 WeakPolarHBondContact CA-OD1 3.49Å; L7-N45 HydrophobicContact CD1-CB 3.91Å; L7-N45 HydrophobicContact CG-CB 4.26Å; L7-N45 PolarHBondContact N-OD1 2.92Å; I38-N45 PolarHBondContact O-ND2 3.38Å; S42-N45 WeakPolarHBondContact O-CB 3.36Å; S42-N45 PolarHBondContact O-N 3.23Å; N43-N45 PolarHBondContact O-N 2.89Å; N45-K48 PolarHBondContact O-N 2.86Å; N45-C49 PolarHBondContact O-N 2.87Å; N45-C49 PolarHBondContact O-SG 2.95Å
46L89.9Confident87.1Confident11 Ų1141.8 Ų41.86%0.05819%0.193CC..Hα-helixtrans-65.1-45.4177.2-54.9-179.3000111.2A39 N43 K48 C49 L50 V82 L83 Y86A39-L46 HydrophobicContact CB-CD2 3.86Å; A39-L46 WeakPolarHBondContact O-CD2 3.43Å; N43-L46 WeakPolarHBondContact O-CB 3.38Å; N43-L46 PolarHBondContact O-N 2.83Å; N43-L46 VanDerWaalsContact O-N 3.08Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.42Å; L46-C49 WeakPolarHBondContact O-CB 3.27Å; L46-C49 PolarHBondContact O-N 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.83Å; L46-V82 HydrophobicContact CD1-CG1 4.36Å; L46-V82 HydrophobicContact CD2-CG1 3.69Å; L46-L83 HydrophobicContact CD2-CD2 4.1Å; L46-Y86 HydrophobicContact CB-CD1 3.52Å; L46-Y86 HydrophobicContact CB-CE1 4Å; L46-Y86 HydrophobicContact CB-CG 4.07Å; L46-Y86 HydrophobicContact CD1-CD1 4.19Å; L46-Y86 HydrophobicContact CD1-CD2 4.4Å; L46-Y86 HydrophobicContact CD1-CG 3.83Å
47E87.2Confident87Confident12 Ų1242.2 Ų42.26%0.05620%0.195CC..Hα-helixtrans-52.1-50.8170.4-72.1164.7-155.900110.7N43 C49 L50 E51 Y86 Q285 R379N43-E47 WeakPolarHBondContact O-CG 3.26Å; N43-E47 PolarHBondContact O-N 3.14Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 2.96Å; E47-L50 PolarHBondContact O-N 3.22Å; E47-E51 WeakPolarHBondContact O-CG 3.21Å; E47-E51 PolarHBondContact O-N 3.47Å; E47-Y86 HydrophobicContact CG-CE1 3.7Å; E47-Y86 VanDerWaalsContact CG-OH 3.3Å; E47-Y86 WeakPolarHBondContact CG-OH 3.35Å; E47-Y86 PolarHBondContact OE1-OH 2.96Å; E47-Q285 PolarHBondContact OE1-NE2 2.83Å; E47-R379 IonicContact OE2-CZ 3.89Å; E47-R379 IonicContact OE2-NH2 3.45Å; E47-R379 PolarHBondContact OE2-NH2 2.89Å
48K86.3Confident87Confident59 Ų5940.6 Ų40.626%0.25718%0.178SC..Hα-helixtrans-64.4-34.4-179.6-151.875.3-157.1159.70113.4G10 R44 N45 L46 E51 N52G10-K48 VanDerWaalsContact CA-CG 3.4Å; G10-K48 VanDerWaalsContact N-CE 3.33Å; R44-K48 WeakPolarHBondContact O-CB 3.26Å; R44-K48 PolarHBondContact O-N 2.68Å; N45-K48 PolarHBondContact O-N 2.86Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-E51 WeakPolarHBondContact CD-OE2 3.23Å; K48-E51 WeakPolarHBondContact CE-OE2 3.19Å; K48-E51 IonicContact NZ-OE2 3.6Å; K48-E51 PolarHBondContact NZ-OE2 2.82Å; K48-N52 PolarHBondContact O-ND2 3.32Å
49C90.6Very high87.1Confident0 Ų039.1 Ų39.10%017%0.171CC..Hα-helixtrans-67.1-43.2173.5-69.50000112.2N45 L46 E47 N52 L54 L83N45-C49 PolarHBondContact O-N 2.87Å; N45-C49 PolarHBondContact O-SG 2.95Å; L46-C49 WeakPolarHBondContact O-CB 3.27Å; L46-C49 PolarHBondContact O-N 3.49Å; E47-C49 VanDerWaalsContact C-N 3.32Å; E47-C49 PolarHBondContact O-N 2.96Å; C49-N52 PolarHBondContact O-N 3.11Å; C49-L54 HydrophobicContact CB-CB 4.26Å; C49-L54 HydrophobicContact CB-CD2 3.71Å; C49-L54 VanDerWaalsContact O-CB 3.23Å; C49-L54 WeakPolarHBondContact O-CB 3.42Å; C49-L54 PolarHBondContact O-N 3.28Å; C49-L83 HydrophobicContact CB-CD2 3.59Å
50L89.1Confident86.9Confident39 Ų3943.4 Ų43.420%0.20419%0.191CC..Hα-helixtrans-70.3-37.4179.9-67176.3000112.5L46 E47 N52 D53 I55 L83 Y86L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.33Å; L46-L50 PolarHBondContact O-N 2.83Å; E47-L50 PolarHBondContact O-N 3.22Å; L50-N52 PolarHBondContact O-N 2.98Å; L50-D53 PolarHBondContact O-N 3.19Å; L50-I55 HydrophobicContact CD2-CD1 3.35Å; L50-I55 HydrophobicContact CD2-CG1 3.79Å; L50-L83 HydrophobicContact CD2-CB 4.35Å; L50-L83 HydrophobicContact CD2-CD2 4.36Å; L50-L83 HydrophobicContact CG-CD2 4.48Å; L50-Y86 HydrophobicContact CD1-CD1 3.82Å; L50-Y86 HydrophobicContact CD1-CE1 4.27Å
51E85.3Confident86.8Confident102 Ų10239.1 Ų39.148%0.47717%0.174SC..THydrogen-bonded Turntrans-57.6-14.9170.7-76.2175-168.200113.6E47 K48E47-E51 WeakPolarHBondContact O-CG 3.21Å; E47-E51 PolarHBondContact O-N 3.47Å; K48-E51 WeakPolarHBondContact CD-OE2 3.23Å; K48-E51 WeakPolarHBondContact CE-OE2 3.19Å; K48-E51 IonicContact NZ-OE2 3.6Å; K48-E51 PolarHBondContact NZ-OE2 2.82Å
52N87.5Confident86.9Confident33 Ų3333.7 Ų33.718%0.17615%0.154CC..THydrogen-bonded Turntrans-117.426-176.7-71.4-95.5000112.9H11 K48 C49 L50 L54H11-N52 PolarHBondContact N-OD1 3.16Å; K48-N52 PolarHBondContact O-ND2 3.32Å; C49-N52 PolarHBondContact O-N 3.11Å; L50-N52 PolarHBondContact O-N 2.98Å; N52-L54 PolarHBondContact O-N 2.86Å
53D85.6Confident86.6Confident93 Ų9336.1 Ų36.150%0.49717%0.174SC..THydrogen-bonded Turntrans57.824.7176.3-63-49.7000115.1L50 I55 R56 I57L50-D53 PolarHBondContact O-N 3.19Å; D53-I55 VanDerWaalsContact C-N 3.32Å; D53-I55 PolarHBondContact O-N 3.41Å; D53-R56 PolarHBondContact O-N 3.04Å; D53-I57 PolarHBondContact O-N 3.2Å
54L90.9Very high85.8Confident1 Ų141.6 Ų41.61%0.00520%0.203CC..Hα-helixtrans-59.7-36.8-168.8-175.860.8000113.8V13 I17 F35 C49 N52 R56 I57 L58 L83V13-L54 HydrophobicContact CG1-CD1 4.3Å; V13-L54 HydrophobicContact CG1-CD2 3.93Å; I17-L54 HydrophobicContact CD1-CD1 4.33Å; I17-L54 HydrophobicContact CG1-CD1 3.88Å; F35-L54 HydrophobicContact CE1-CD2 4.08Å; F35-L54 HydrophobicContact CZ-CD2 4.42Å; C49-L54 HydrophobicContact CB-CB 4.26Å; C49-L54 HydrophobicContact CB-CD2 3.71Å; C49-L54 VanDerWaalsContact O-CB 3.23Å; C49-L54 WeakPolarHBondContact O-CB 3.42Å; C49-L54 PolarHBondContact O-N 3.28Å; N52-L54 PolarHBondContact O-N 2.86Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.09Å; L54-I57 PolarHBondContact O-N 2.83Å; L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.35Å; L54-L58 HydrophobicContact CD1-CG 4.03Å; L54-L58 HydrophobicContact CD2-CD1 4.41Å; L54-L58 HydrophobicContact CG-CD1 3.87Å; L54-L58 HydrophobicContact CG-CG 4.1Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.5Å; L54-L58 PolarHBondContact O-N 2.88Å; L54-L83 HydrophobicContact CB-CD1 4.42Å; L54-L83 HydrophobicContact CD2-CD1 3.81Å; L54-L83 HydrophobicContact CG-CD1 3.99Å
55I91.2Very high84.7Confident1 Ų140.3 Ų40.31%0.00520%0.2CC..Hα-helixtrans-55.2-46.7176.7-70170.4000110.8L50 D53 L58 L59 L80 L83 T84 D92L50-I55 HydrophobicContact CD2-CD1 3.35Å; L50-I55 HydrophobicContact CD2-CG1 3.79Å; D53-I55 VanDerWaalsContact C-N 3.32Å; D53-I55 PolarHBondContact O-N 3.41Å; I55-L58 PolarHBondContact O-N 2.85Å; I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 WeakPolarHBondContact O-CG 3.36Å; I55-L59 PolarHBondContact O-N 3.2Å; I55-L80 HydrophobicContact CB-CD2 4.48Å; I55-L80 HydrophobicContact CG2-CD2 4.01Å; I55-L83 HydrophobicContact CD1-CB 4.33Å; I55-L83 HydrophobicContact CG1-CB 4Å; I55-L83 HydrophobicContact CG1-CD1 4.26Å; I55-T84 HydrophobicContact CD1-CG2 3.7Å; I55-T84 HydrophobicContact CG1-CG2 4.15Å; I55-T84 HydrophobicContact CG2-CG2 4.43Å; I55-D92 HydrophobicContact CD1-CB 4.25Å; I55-D92 HydrophobicContact CG2-CB 4.19Å
56R87.7Confident83.3Confident145 Ų14546.4 Ų46.455%0.54723%0.232SC..Hα-helixtrans-66.5-42.7-178.3-176.7178.6167.2-171.2-6.7111.5D53 L54 L58 L59 E60D53-R56 PolarHBondContact O-N 3.04Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.09Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.19Å; R56-L59 PolarHBondContact O-N 3.17Å; R56-E60 HydrophobicContact CG-CG 4.48Å; R56-E60 IonicContact CZ-OE1 3.94Å; R56-E60 VanDerWaalsContact CZ-OE1 3.25Å; R56-E60 IonicContact NE-OE1 3.69Å; R56-E60 PolarHBondContact NE-OE1 2.96Å; R56-E60 IonicContact NH2-OE1 3.35Å; R56-E60 PolarHBondContact NH2-OE1 3.27Å; R56-E60 WeakPolarHBondContact O-CG 3.41Å; R56-E60 PolarHBondContact O-N 2.95Å
57I87.7Confident81.5Confident13 Ų1352.2 Ų52.27%0.06727%0.272CS..Hα-helixtrans-59.9-41176.2-62.9167.6000110.7R14 I17 D53 L54 R61R14-I57 HydrophobicContact CG-CD1 3.97Å; I17-I57 HydrophobicContact CG2-CG2 3.73Å; D53-I57 PolarHBondContact O-N 3.2Å; L54-I57 PolarHBondContact O-N 2.83Å; I57-R61 WeakPolarHBondContact O-CB 3.46Å; I57-R61 WeakPolarHBondContact O-CD 3.34Å; I57-R61 WeakPolarHBondContact O-CG 3.22Å; I57-R61 PolarHBondContact O-N 2.84Å; I57-R61 VanDerWaalsContact O-N 3.11Å
58L89.6Confident80.4Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-68.3-38177.3-65.8170.2000112.4L54 I55 R56 R61 L62 L76 L79 L80 L83L54-L58 HydrophobicContact CD1-CD1 4.32Å; L54-L58 HydrophobicContact CD1-CD2 4.35Å; L54-L58 HydrophobicContact CD1-CG 4.03Å; L54-L58 HydrophobicContact CD2-CD1 4.41Å; L54-L58 HydrophobicContact CG-CD1 3.87Å; L54-L58 HydrophobicContact CG-CG 4.1Å; L54-L58 VanDerWaalsContact O-CG 3.24Å; L54-L58 WeakPolarHBondContact O-CG 3.5Å; L54-L58 PolarHBondContact O-N 2.88Å; I55-L58 PolarHBondContact O-N 2.85Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L58 PolarHBondContact O-N 3.19Å; L58-R61 PolarHBondContact O-N 3.13Å; L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.41Å; L58-L76 HydrophobicContact CD2-CD2 3.52Å; L58-L79 HydrophobicContact CD1-CB 4.37Å; L58-L79 HydrophobicContact CD1-CD2 3.8Å; L58-L79 HydrophobicContact CD1-CG 3.8Å; L58-L79 HydrophobicContact CD2-CD2 3.91Å; L58-L80 HydrophobicContact CB-CD1 4.27Å; L58-L80 HydrophobicContact CB-CD2 3.79Å; L58-L80 HydrophobicContact CB-CG 3.87Å; L58-L80 HydrophobicContact CD1-CD2 4.09Å; L58-L80 HydrophobicContact CD1-CG 4.07Å; L58-L83 HydrophobicContact CD1-CD1 3.57Å
59L87.9Confident79.5Confident8 Ų856.1 Ų56.14%0.04230%0.295CS..Hα-helixtrans-68.2-41.3176.1-71.5170.3000112.7I55 R56 R61 L62 A63 L80 A95 V96 L114I55-L59 HydrophobicContact CG2-CD1 3.94Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 WeakPolarHBondContact O-CG 3.36Å; I55-L59 PolarHBondContact O-N 3.2Å; R56-L59 PolarHBondContact O-N 3.17Å; L59-R61 VanDerWaalsContact C-N 3.32Å; L59-L62 PolarHBondContact O-N 2.97Å; L59-A63 PolarHBondContact O-N 3.01Å; L59-A63 VanDerWaalsContact O-N 3.11Å; L59-L80 HydrophobicContact CD2-CD1 4.09Å; L59-L80 HydrophobicContact CD2-CD2 4.4Å; L59-L80 HydrophobicContact CG-CD2 4.23Å; L59-A95 HydrophobicContact CD1-CB 3.78Å; L59-V96 HydrophobicContact CD1-CG2 3.77Å; L59-V96 HydrophobicContact CD2-CG2 4.33Å; L59-L114 HydrophobicContact CD2-CD1 3.88Å; L59-L114 HydrophobicContact CD2-CD2 4.15Å
60E84.3Confident78.7Confident90 Ų9062.7 Ų62.742%0.42133%0.325SS..Hα-helixtrans-61.1-43.5174.8-72.6170.3174.400110R56 L62 A63 D64R56-E60 HydrophobicContact CG-CG 4.48Å; R56-E60 IonicContact CZ-OE1 3.94Å; R56-E60 VanDerWaalsContact CZ-OE1 3.25Å; R56-E60 IonicContact NE-OE1 3.69Å; R56-E60 PolarHBondContact NE-OE1 2.96Å; R56-E60 IonicContact NH2-OE1 3.35Å; R56-E60 PolarHBondContact NH2-OE1 3.27Å; R56-E60 WeakPolarHBondContact O-CG 3.41Å; R56-E60 PolarHBondContact O-N 2.95Å; E60-L62 PolarHBondContact O-N 3.04Å; E60-A63 VanDerWaalsContact O-CB 3.27Å; E60-A63 WeakPolarHBondContact O-CB 3.14Å; E60-A63 PolarHBondContact O-N 3.37Å; E60-D64 PolarHBondContact O-N 2.6Å
61R84.2Confident78.4Confident43 Ų4365.6 Ų65.616%0.16234%0.34CS..Hα-helixtrans-66.8-31.8175.1-69.9168.4175-73-1.2114.2I17 N18 D21 I57 L58 L59 A63I17-R61 PolarHBondContact O-NH2 2.92Å; N18-R61 PolarHBondContact OD1-NH2 3.46Å; D21-R61 IonicContact OD1-CZ 3.22Å; D21-R61 IonicContact OD1-NH1 3.49Å; D21-R61 PolarHBondContact OD1-NH1 3.04Å; D21-R61 IonicContact OD1-NH2 3.81Å; D21-R61 IonicContact OD2-CZ 2.7Å; D21-R61 VanDerWaalsContact OD2-CZ 3.27Å; D21-R61 IonicContact OD2-NH1 3.82Å; D21-R61 PolarHBondContact OD2-NH1 3.06Å; D21-R61 IonicContact OD2-NH2 2.61Å; D21-R61 PolarHBondContact OD2-NH2 3.05Å; I57-R61 WeakPolarHBondContact O-CB 3.46Å; I57-R61 WeakPolarHBondContact O-CD 3.34Å; I57-R61 WeakPolarHBondContact O-CG 3.22Å; I57-R61 PolarHBondContact O-N 2.84Å; I57-R61 VanDerWaalsContact O-N 3.11Å; L58-R61 PolarHBondContact O-N 3.13Å; L59-R61 VanDerWaalsContact C-N 3.32Å; R61-A63 PolarHBondContact O-N 3.05Å
62L84.3Confident78.4Confident0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-69.8-21.5171.8-159.279.5000111.4L58 L59 E60 A65 L76 I77 Y99 H110L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.41Å; L59-L62 PolarHBondContact O-N 2.97Å; E60-L62 PolarHBondContact O-N 3.04Å; L62-A65 WeakPolarHBondContact O-CB 3.43Å; L62-L76 HydrophobicContact CD1-CB 4.41Å; L62-I77 HydrophobicContact CD1-CD1 4.29Å; L62-I77 HydrophobicContact CD1-CG1 4.23Å; L62-I77 HydrophobicContact CD2-CD1 3.9Å; L62-Y99 HydrophobicContact CB-CE2 4.06Å; L62-Y99 HydrophobicContact CD2-CE1 4.09Å; L62-Y99 HydrophobicContact CD2-CE2 4.23Å; L62-Y99 HydrophobicContact CG-CE2 4.37Å; L62-Y99 PolarHBondContact O-OH 3.33Å; L62-H110 HydrophobicContact CD2-CB 4.44Å
63A74.4Confident78.3Confident53 Ų5359.5 Ų59.544%0.43831%0.311SS..Hα-helixtrans-79-42.417900000111.6L59 E60 R61 A65 Y99L59-A63 PolarHBondContact O-N 3.01Å; L59-A63 VanDerWaalsContact O-N 3.11Å; E60-A63 VanDerWaalsContact O-CB 3.27Å; E60-A63 WeakPolarHBondContact O-CB 3.14Å; E60-A63 PolarHBondContact O-N 3.37Å; R61-A63 PolarHBondContact O-N 3.05Å; A63-A65 PolarHBondContact O-N 2.97Å; A63-Y99 HydrophobicContact CB-CD2 4.38Å; A63-Y99 HydrophobicContact CB-CE2 3.78Å
64D68.4Low78.4Confident138 Ų13858.5 Ų58.574%0.73831%0.306SS*.SBendtrans-70.1-8.9176.7-64.2-27.6000113.1E60 N66E60-D64 PolarHBondContact O-N 2.6Å; D64-N66 PolarHBondContact O-N 2.88Å
65A58.6Low78.4Confident5 Ų559.1 Ų59.14%0.04131%0.309CS..G310 helixtrans-6913.1-166.200000117.1L62 A63 C67 M68L62-A65 WeakPolarHBondContact O-CB 3.43Å; A63-A65 PolarHBondContact O-N 2.97Å; A65-C67 PolarHBondContact O-N 3.43Å; A65-M68 HydrophobicContact CB-CB 3.77Å; A65-M68 HydrophobicContact CB-CE 3.84Å; A65-M68 HydrophobicContact CB-SD 4.1Å; A65-M68 WeakPolarHBondContact O-CB 3.44Å; A65-M68 PolarHBondContact O-N 3.26Å
66N57.8Low78.4Confident129 Ų12959.6 Ų59.669%0.6931%0.311SS*.G310 helixtrans-56.9-23.3176.1-81.7-16.9000113.8D64 C109D64-N66 PolarHBondContact O-N 2.88Å; N66-C109 PolarHBondContact OD1-SG 3.32Å
67C53.4Low78.6Confident132 Ų13253.5 Ų53.589%0.89229%0.29SS*.G310 helixtrans-107.88.5176.1-60.70000113.7A65A65-C67 PolarHBondContact O-N 3.43Å
68M63.2Low78.9Confident54 Ų5456.1 Ų56.127%0.26630%0.302SS..SBendtrans-83.7139.7-173-167.5179.3-69.400111.8A65 H70 L72 A73 L76A65-M68 HydrophobicContact CB-CB 3.77Å; A65-M68 HydrophobicContact CB-CE 3.84Å; A65-M68 HydrophobicContact CB-SD 4.1Å; A65-M68 WeakPolarHBondContact O-CB 3.44Å; A65-M68 PolarHBondContact O-N 3.26Å; M68-H70 PolarHBondContact O-N 3.45Å; M68-L72 HydrophobicContact CG-CB 3.7Å; M68-L72 HydrophobicContact CG-CD1 4.15Å; M68-L72 HydrophobicContact SD-CB 3.77Å; M68-A73 HydrophobicContact SD-CB 4.24Å; M68-L76 HydrophobicContact CE-CD1 3.73Å; M68-L76 HydrophobicContact SD-CD1 3.62Å
69L68.5Low79.1Confident100 Ų10056.1 Ų56.152%0.52430%0.302SS..  trans-60.9133.4172.8-144.784.4000109.7L71 L72 A73L69-L71 HydrophobicContact CD2-CB 4.4Å; L69-L71 PolarHBondContact O-N 3.23Å; L69-L72 HydrophobicContact CB-CD1 4.16Å; L69-L72 HydrophobicContact CB-CG 4.39Å; L69-L72 WeakPolarHBondContact O-CB 3.25Å; L69-L72 PolarHBondContact O-N 2.71Å; L69-A73 PolarHBondContact O-N 2.99Å
70H73.9Confident79.4Confident138 Ų13855.8 Ų55.864%0.63930%0.3SS*.Hα-helixtrans-49-39.6-177.2-88.4-72.9000113.7M68 L72 A73 D74M68-H70 PolarHBondContact O-N 3.45Å; H70-L72 PolarHBondContact O-N 2.92Å; H70-A73 PolarHBondContact O-N 3.37Å; H70-D74 PolarHBondContact O-N 3.42Å; H70-D74 VanDerWaalsContact O-OD2 3.12Å
71L82.2Confident79.9Confident99 Ų9952.9 Ų52.952%0.51829%0.288SS..Hα-helixtrans-56.5-42.7176.5-179.265.3000113.4A29 L69 D74 L75A29-L71 HydrophobicContact CB-CD2 3.99Å; A29-L71 HydrophobicContact CB-CG 4.49Å; L69-L71 HydrophobicContact CD2-CB 4.4Å; L69-L71 PolarHBondContact O-N 3.23Å; L71-D74 PolarHBondContact O-N 3.01Å; L71-L75 HydrophobicContact CG-CD1 4.42Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 2.59Å
72L84.8Confident80.3Confident7 Ų751.5 Ų51.54%0.03728%0.284CS..Hα-helixtrans-68.8-41-179.9-67.6169.5000110.8Q28 A29 L32 M68 L69 H70 D74 L75 L76Q28-L72 HydrophobicContact CB-CD2 3.63Å; A29-L72 HydrophobicContact CB-CD2 3.92Å; L32-L72 HydrophobicContact CD1-CD2 4.11Å; M68-L72 HydrophobicContact CG-CB 3.7Å; M68-L72 HydrophobicContact CG-CD1 4.15Å; M68-L72 HydrophobicContact SD-CB 3.77Å; L69-L72 HydrophobicContact CB-CD1 4.16Å; L69-L72 HydrophobicContact CB-CG 4.39Å; L69-L72 WeakPolarHBondContact O-CB 3.25Å; L69-L72 PolarHBondContact O-N 2.71Å; H70-L72 PolarHBondContact O-N 2.92Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.04Å; L72-L75 PolarHBondContact O-N 3.04Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 3.04Å
73A84.7Confident80.8Confident0 Ų051.5 Ų51.50%028%0.284CS..Hα-helixtrans-62.4-36.4174.700000112.1M68 L69 H70 L76 I77 H110M68-A73 HydrophobicContact SD-CB 4.24Å; L69-A73 PolarHBondContact O-N 2.99Å; H70-A73 PolarHBondContact O-N 3.37Å; A73-L76 PolarHBondContact O-N 3.08Å; A73-I77 WeakPolarHBondContact O-CB 3.29Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.08Å; A73-I77 PolarHBondContact O-N 3.01Å; A73-H110 WeakPolarHBondContact CB-NE2 3.42Å
74D88.7Confident81.6Confident73 Ų7349.1 Ų49.139%0.3926%0.264SS..Hα-helixtrans-65.1-42.4173-79.3-52.3000112.6H70 L71 L72 I77 E78 K113H70-D74 PolarHBondContact O-N 3.42Å; H70-D74 VanDerWaalsContact O-OD2 3.12Å; L71-D74 PolarHBondContact O-N 3.01Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.04Å; D74-I77 PolarHBondContact O-N 3.48Å; D74-E78 WeakPolarHBondContact O-CB 3.34Å; D74-E78 PolarHBondContact O-N 2.77Å; D74-K113 WeakPolarHBondContact OD1-CE 3.42Å; D74-K113 IonicContact OD1-NZ 2.82Å; D74-K113 PolarHBondContact OD1-NZ 3.01Å; D74-K113 IonicContact OD2-NZ 3.07Å; D74-K113 PolarHBondContact OD2-NZ 3.46Å
75L91.9Very high82.7Confident13 Ų1344.5 Ų44.57%0.06824%0.241CC..Hα-helixtrans-64.5-39.3174.9-67.6167.7000112.3A29 L32 S33 I36 L71 L72 E78 L79A29-L75 HydrophobicContact CB-CD1 3.81Å; L32-L75 HydrophobicContact CB-CB 4.2Å; L32-L75 HydrophobicContact CB-CD1 4.16Å; L32-L75 HydrophobicContact CD1-CB 4.28Å; S33-L75 WeakPolarHBondContact OG-CD2 3.44Å; I36-L75 HydrophobicContact CD1-CB 4.12Å; I36-L75 HydrophobicContact CD1-CD2 3.82Å; I36-L75 WeakPolarHBondContact CD1-O 3.35Å; L71-L75 HydrophobicContact CG-CD1 4.42Å; L71-L75 WeakPolarHBondContact O-CG 3.39Å; L71-L75 PolarHBondContact O-N 2.59Å; L72-L75 PolarHBondContact O-N 3.04Å; L75-E78 PolarHBondContact O-N 2.9Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.31Å
76L90.4Very high84.3Confident11 Ų1145.2 Ų45.26%0.05824%0.243CC..Hα-helixtrans-64.6-41.5174.3-66.4176.3000111.9L32 L58 L62 M68 L72 A73 L79 L80L32-L76 HydrophobicContact CD1-CD2 4.25Å; L32-L76 HydrophobicContact CD2-CD2 4.4Å; L58-L76 HydrophobicContact CD2-CD2 3.52Å; L62-L76 HydrophobicContact CD1-CB 4.41Å; M68-L76 HydrophobicContact CE-CD1 3.73Å; M68-L76 HydrophobicContact SD-CD1 3.62Å; L72-L76 WeakPolarHBondContact O-CG 3.37Å; L72-L76 PolarHBondContact O-N 3.04Å; A73-L76 PolarHBondContact O-N 3.08Å; L76-L79 PolarHBondContact O-N 3.14Å; L76-L80 WeakPolarHBondContact O-CB 3.21Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.38Å
77I91.7Very high86Confident18 Ų1839.6 Ų39.69%0.09221%0.214CC..Hα-helixtrans-65-39.8174.8-73.7-70.6000111.4L62 A73 D74 L80 T81 K113 L114 V117L62-I77 HydrophobicContact CD1-CD1 4.29Å; L62-I77 HydrophobicContact CD1-CG1 4.23Å; L62-I77 HydrophobicContact CD2-CD1 3.9Å; A73-I77 WeakPolarHBondContact O-CB 3.29Å; A73-I77 VanDerWaalsContact O-CG1 3.22Å; A73-I77 WeakPolarHBondContact O-CG1 3.08Å; A73-I77 PolarHBondContact O-N 3.01Å; D74-I77 PolarHBondContact O-N 3.48Å; I77-L80 HydrophobicContact CD1-CD1 4.49Å; I77-L80 PolarHBondContact O-N 3.49Å; I77-T81 WeakPolarHBondContact O-CB 3.15Å; I77-T81 PolarHBondContact O-N 3.39Å; I77-T81 PolarHBondContact O-OG1 3.06Å; I77-K113 HydrophobicContact CD1-CB 3.85Å; I77-K113 HydrophobicContact CG1-CB 3.9Å; I77-K113 HydrophobicContact CG1-CD 4.27Å; I77-K113 HydrophobicContact CG2-CB 4.2Å; I77-L114 HydrophobicContact CD1-CB 4.44Å; I77-V117 HydrophobicContact CD1-CG2 4.07Å; I77-V117 HydrophobicContact CG2-CG2 3.86Å
78E94.1Very high87.8Confident68 Ų6833.3 Ų33.332%0.31817%0.171SC..Hα-helixtrans-64.6-44.4175.9-175.5172.8-159.700111.4I36 R40 D74 L75 T81 V82I36-E78 HydrophobicContact CD1-CB 4.32Å; I36-E78 HydrophobicContact CD1-CG 4.4Å; I36-E78 HydrophobicContact CG2-CG 4.21Å; R40-E78 IonicContact CZ-OE1 2.61Å; R40-E78 IonicContact NH1-OE1 3.66Å; R40-E78 PolarHBondContact NH1-OE1 3.47Å; R40-E78 VanDerWaalsContact NH2-CG 3.28Å; R40-E78 IonicContact NH2-OE1 3.63Å; R40-E78 PolarHBondContact NH2-OE1 3.18Å; D74-E78 WeakPolarHBondContact O-CB 3.34Å; D74-E78 PolarHBondContact O-N 2.77Å; L75-E78 PolarHBondContact O-N 2.9Å; E78-T81 WeakPolarHBondContact O-CB 3.41Å; E78-T81 PolarHBondContact O-N 3.49Å; E78-V82 WeakPolarHBondContact O-CG2 3.38Å; E78-V82 PolarHBondContact O-N 2.91Å
79L94.2Very high89Confident0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-64.7-44175.6-175.857.8000112.1F35 I36 A39 L58 L75 L76 T81 V82 L83F35-L79 HydrophobicContact CD1-CD1 4.19Å; F35-L79 HydrophobicContact CD1-CD2 3.95Å; F35-L79 HydrophobicContact CE1-CD1 4.14Å; F35-L79 HydrophobicContact CE1-CD2 4.02Å; I36-L79 HydrophobicContact CD1-CB 4.29Å; I36-L79 HydrophobicContact CG1-CB 3.89Å; I36-L79 HydrophobicContact CG1-CD1 4.04Å; I36-L79 HydrophobicContact CG1-CG 4.42Å; A39-L79 HydrophobicContact CB-CD1 4.25Å; L58-L79 HydrophobicContact CD1-CB 4.37Å; L58-L79 HydrophobicContact CD1-CD2 3.8Å; L58-L79 HydrophobicContact CD1-CG 3.8Å; L58-L79 HydrophobicContact CD2-CD2 3.91Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 PolarHBondContact O-N 3.31Å; L76-L79 PolarHBondContact O-N 3.14Å; L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 2.92Å; L79-V82 PolarHBondContact O-N 2.65Å; L79-L83 HydrophobicContact CD1-CD1 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.47Å; L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 2.69Å
80L94Very high89.8Confident1 Ų130.9 Ų30.91%0.00516%0.162CC..Hα-helixtrans-56.7-41.6171.7-83.4168.6000111.5I55 L58 L59 L76 I77 L83 T84 V117I55-L80 HydrophobicContact CB-CD2 4.48Å; I55-L80 HydrophobicContact CG2-CD2 4.01Å; L58-L80 HydrophobicContact CB-CD1 4.27Å; L58-L80 HydrophobicContact CB-CD2 3.79Å; L58-L80 HydrophobicContact CB-CG 3.87Å; L58-L80 HydrophobicContact CD1-CD2 4.09Å; L58-L80 HydrophobicContact CD1-CG 4.07Å; L59-L80 HydrophobicContact CD2-CD1 4.09Å; L59-L80 HydrophobicContact CD2-CD2 4.4Å; L59-L80 HydrophobicContact CG-CD2 4.23Å; L76-L80 WeakPolarHBondContact O-CB 3.21Å; L76-L80 WeakPolarHBondContact O-CG 3.4Å; L76-L80 PolarHBondContact O-N 3.38Å; I77-L80 HydrophobicContact CD1-CD1 4.49Å; I77-L80 PolarHBondContact O-N 3.49Å; L80-L83 PolarHBondContact O-N 2.76Å; L80-T84 WeakPolarHBondContact O-CB 3.39Å; L80-T84 VanDerWaalsContact O-CG2 3.26Å; L80-T84 WeakPolarHBondContact O-CG2 3.18Å; L80-T84 PolarHBondContact O-N 3.16Å; L80-T84 PolarHBondContact O-OG1 2.85Å; L80-V117 HydrophobicContact CB-CG1 4.46Å
81T94.7Very high90.4Very high29 Ų2932.6 Ų32.618%0.17817%0.167CC..Hα-helixtrans-60.2-52.1175.3-56.60000110.9I77 E78 L79 L83 T84 T85 Q120I77-T81 WeakPolarHBondContact O-CB 3.15Å; I77-T81 PolarHBondContact O-N 3.39Å; I77-T81 PolarHBondContact O-OG1 3.06Å; E78-T81 WeakPolarHBondContact O-CB 3.41Å; E78-T81 PolarHBondContact O-N 3.49Å; L79-T81 VanDerWaalsContact C-N 3.27Å; L79-T81 PolarHBondContact O-N 2.92Å; T81-L83 VanDerWaalsContact C-N 3.34Å; T81-L83 PolarHBondContact O-N 3.37Å; T81-T84 PolarHBondContact O-N 3.47Å; T81-T84 PolarHBondContact O-OG1 3.4Å; T81-T85 HydrophobicContact CG2-CG2 4.08Å; T81-T85 WeakPolarHBondContact O-CB 3.37Å; T81-T85 VanDerWaalsContact O-CG2 3.23Å; T81-T85 WeakPolarHBondContact O-CG2 3.3Å; T81-T85 PolarHBondContact O-N 2.93Å; T81-T85 PolarHBondContact O-OG1 3.49Å; T81-Q120 HydrophobicContact CG2-CB 3.73Å; T81-Q120 HydrophobicContact CG2-CG 3.91Å
82V93.1Very high90.7Very high13 Ų1328.6 Ų28.68%0.07915%0.146CC..Hα-helixtrans-58.3-43.3-179.9173.80000112.1R40 L46 E78 L79 T85R40-V82 HydrophobicContact CG-CG1 3.88Å; R40-V82 HydrophobicContact CG-CG2 3.81Å; R40-V82 VanDerWaalsContact NE-CG2 3.31Å; L46-V82 HydrophobicContact CD1-CG1 4.36Å; L46-V82 HydrophobicContact CD2-CG1 3.69Å; E78-V82 WeakPolarHBondContact O-CG2 3.38Å; E78-V82 PolarHBondContact O-N 2.91Å; L79-V82 PolarHBondContact O-N 2.65Å; V82-T85 PolarHBondContact O-OG1 2.91Å
83L93.6Very high91Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-67.3-49.9178.9-67.5165.4000112.4L46 C49 L50 L54 I55 L58 L79 L80 T81 Y86 S87L46-L83 HydrophobicContact CD2-CD2 4.1Å; C49-L83 HydrophobicContact CB-CD2 3.59Å; L50-L83 HydrophobicContact CD2-CB 4.35Å; L50-L83 HydrophobicContact CD2-CD2 4.36Å; L50-L83 HydrophobicContact CG-CD2 4.48Å; L54-L83 HydrophobicContact CB-CD1 4.42Å; L54-L83 HydrophobicContact CD2-CD1 3.81Å; L54-L83 HydrophobicContact CG-CD1 3.99Å; I55-L83 HydrophobicContact CD1-CB 4.33Å; I55-L83 HydrophobicContact CG1-CB 4Å; I55-L83 HydrophobicContact CG1-CD1 4.26Å; L58-L83 HydrophobicContact CD1-CD1 3.57Å; L79-L83 HydrophobicContact CD1-CD1 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.47Å; L79-L83 HydrophobicContact CG-CD1 4.12Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 2.69Å; L80-L83 PolarHBondContact O-N 2.76Å; T81-L83 VanDerWaalsContact C-N 3.34Å; T81-L83 PolarHBondContact O-N 3.37Å; L83-Y86 WeakPolarHBondContact O-CB 3.27Å; L83-Y86 PolarHBondContact O-N 3.47Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; L83-S87 PolarHBondContact O-N 3.37Å
84T92.7Very high91Very high3 Ų330.4 Ų30.42%0.01816%0.156CC..Hα-helixtrans-76.2-24.9-173.659.20000113.4I55 L80 T81 Y86 V117 M121I55-T84 HydrophobicContact CD1-CG2 3.7Å; I55-T84 HydrophobicContact CG1-CG2 4.15Å; I55-T84 HydrophobicContact CG2-CG2 4.43Å; L80-T84 WeakPolarHBondContact O-CB 3.39Å; L80-T84 VanDerWaalsContact O-CG2 3.26Å; L80-T84 WeakPolarHBondContact O-CG2 3.18Å; L80-T84 PolarHBondContact O-N 3.16Å; L80-T84 PolarHBondContact O-OG1 2.85Å; T81-T84 PolarHBondContact O-N 3.47Å; T81-T84 PolarHBondContact O-OG1 3.4Å; T84-Y86 PolarHBondContact O-N 3.19Å; T84-V117 WeakPolarHBondContact OG1-CG1 3.09Å; T84-M121 HydrophobicContact CG2-CE 3.89Å
85T90.8Very high90.8Very high41 Ų4128.2 Ų28.225%0.25215%0.148SC..Hα-helixtrans-67.8-23.7167.454.80000113T81 V82 Q120 K124T81-T85 HydrophobicContact CG2-CG2 4.08Å; T81-T85 WeakPolarHBondContact O-CB 3.37Å; T81-T85 VanDerWaalsContact O-CG2 3.23Å; T81-T85 WeakPolarHBondContact O-CG2 3.3Å; T81-T85 PolarHBondContact O-N 2.93Å; T81-T85 PolarHBondContact O-OG1 3.49Å; V82-T85 PolarHBondContact O-OG1 2.91Å; T85-Q120 HydrophobicContact CG2-CB 4.13Å; T85-Q120 WeakPolarHBondContact CG2-O 3.14Å; T85-K124 WeakPolarHBondContact O-CB 3.46Å; T85-K124 WeakPolarHBondContact O-CG 2.93Å
86Y92Very high90.7Very high21 Ų2127.7 Ų27.78%0.08215%0.145CC..Hα-helixtrans-84.7-52174.9176.6-118000111.9N43 L46 E47 L50 L83 T84 K124 F130 T383N43-Y86 HydrophobicContact CB-CE2 3.96Å; N43-Y86 WeakPolarHBondContact ND2-CE2 3.37Å; L46-Y86 HydrophobicContact CB-CD1 3.52Å; L46-Y86 HydrophobicContact CB-CE1 4Å; L46-Y86 HydrophobicContact CB-CG 4.07Å; L46-Y86 HydrophobicContact CD1-CD1 4.19Å; L46-Y86 HydrophobicContact CD1-CD2 4.4Å; L46-Y86 HydrophobicContact CD1-CG 3.83Å; E47-Y86 HydrophobicContact CG-CE1 3.7Å; E47-Y86 VanDerWaalsContact CG-OH 3.3Å; E47-Y86 WeakPolarHBondContact CG-OH 3.35Å; E47-Y86 PolarHBondContact OE1-OH 2.96Å; L50-Y86 HydrophobicContact CD1-CD1 3.82Å; L50-Y86 HydrophobicContact CD1-CE1 4.27Å; L83-Y86 WeakPolarHBondContact O-CB 3.27Å; L83-Y86 PolarHBondContact O-N 3.47Å; L83-Y86 VanDerWaalsContact O-N 3.12Å; T84-Y86 PolarHBondContact O-N 3.19Å; Y86-K124 WeakPolarHBondContact O-CE 3.31Å; Y86-F130 WeakPolarHBondContact OH-CZ 3.31Å; Y86-T383 HydrophobicContact CE1-CG2 4.14Å; Y86-T383 HydrophobicContact CE2-CG2 4Å
87S92.7Very high90.5Very high10 Ų1028.2 Ų28.27%0.0715%0.148CC..  trans-157.6136.9173.6-179.70000111.5L83 H384L83-S87 PolarHBondContact O-N 3.37Å; S87-H384 WeakPolarHBondContact CA-O 3.35Å; S87-H384 PolarHBondContact OG-N 3.22Å
88V91.3Very high90.1Very high1 Ų136.1 Ų36.11%0.00618%0.177CC..  trans-132.2111.3173.156.70000108.4D92 M93 M121 H384 I386 S389V88-D92 HydrophobicContact CG2-CB 3.77Å; V88-M93 HydrophobicContact CG2-CB 4.29Å; V88-M93 HydrophobicContact CG2-SD 4.38Å; V88-M121 HydrophobicContact CB-SD 4.29Å; V88-M121 HydrophobicContact CG1-SD 4.02Å; V88-M121 HydrophobicContact CG2-SD 4.06Å; V88-H384 PolarHBondContact N-O 2.89Å; V88-H384 VanDerWaalsContact N-O 3.17Å; V88-H384 WeakPolarHBondContact O-CB 3.3Å; V88-I386 HydrophobicContact CG1-CB 4.42Å; V88-S389 WeakPolarHBondContact O-CB 3.27Å; V88-S389 PolarHBondContact O-OG 3.43Å
89N88Confident89.6Confident52 Ų5234.1 Ų34.128%0.27817%0.167SC..  trans-85.6176-178.577.154.3000112.1K91 D92 M93 S389N89-K91 VanDerWaalsContact C-N 3.31Å; N89-K91 PolarHBondContact O-N 3Å; N89-K91 WeakPolarHBondContact OD1-CA 3.34Å; N89-K91 VanDerWaalsContact OD1-CB 3.26Å; N89-K91 WeakPolarHBondContact OD1-CB 3.25Å; N89-K91 PolarHBondContact OD1-N 2.83Å; N89-D92 VanDerWaalsContact CG-CG 3.44Å; N89-D92 PolarHBondContact N-OD2 3.24Å; N89-D92 VanDerWaalsContact ND2-CG 3.27Å; N89-D92 PolarHBondContact ND2-OD1 3.24Å; N89-D92 PolarHBondContact ND2-OD2 2.88Å; N89-D92 PolarHBondContact O-N 3.45Å; N89-D92 PolarHBondContact OD1-N 3Å; N89-M93 WeakPolarHBondContact O-CB 3.42Å; N89-M93 PolarHBondContact O-N 3.02Å; N89-S389 VanDerWaalsContact C-OG 3.29Å; N89-S389 WeakPolarHBondContact CA-OG 3.32Å
90V86.6Confident89.2Confident51 Ų5134.1 Ų34.131%0.30917%0.167SC..Hα-helixtrans-59.6-35.6-179.11770000113.4N94 S389 V393V90-N94 WeakPolarHBondContact O-CB 3.47Å; V90-N94 PolarHBondContact O-N 2.78Å; V90-N94 VanDerWaalsContact O-N 3.14Å; V90-N94 PolarHBondContact O-ND2 3.47Å; V90-S389 PolarHBondContact N-OG 3.22Å; V90-V393 HydrophobicContact CG1-CG2 3.76Å
91K85.7Confident88.7Confident174 Ų17441.3 Ų41.376%0.75719%0.194SC*.Hα-helixtrans-72.5-42.8175.9-58.6178.9179.8176.30111N89 N94 A95N89-K91 VanDerWaalsContact C-N 3.31Å; N89-K91 PolarHBondContact O-N 3Å; N89-K91 WeakPolarHBondContact OD1-CA 3.34Å; N89-K91 VanDerWaalsContact OD1-CB 3.26Å; N89-K91 WeakPolarHBondContact OD1-CB 3.25Å; N89-K91 PolarHBondContact OD1-N 2.83Å; K91-N94 PolarHBondContact O-N 3.43Å; K91-A95 PolarHBondContact O-N 2.77Å
92D89.5Confident87.9Confident14 Ų1441 Ų418%0.07519%0.194CC..Hα-helixtrans-61.6-47.7177.1-54-29.3000110.7I55 V88 N89 N94 A95 V96I55-D92 HydrophobicContact CD1-CB 4.25Å; I55-D92 HydrophobicContact CG2-CB 4.19Å; V88-D92 HydrophobicContact CG2-CB 3.77Å; N89-D92 VanDerWaalsContact CG-CG 3.44Å; N89-D92 PolarHBondContact N-OD2 3.24Å; N89-D92 VanDerWaalsContact ND2-CG 3.27Å; N89-D92 PolarHBondContact ND2-OD1 3.24Å; N89-D92 PolarHBondContact ND2-OD2 2.88Å; N89-D92 PolarHBondContact O-N 3.45Å; N89-D92 PolarHBondContact OD1-N 3Å; D92-N94 VanDerWaalsContact C-N 3.34Å; D92-N94 PolarHBondContact O-N 2.85Å; D92-A95 WeakPolarHBondContact O-CB 3.2Å; D92-A95 PolarHBondContact O-N 3Å; D92-A95 VanDerWaalsContact O-N 3.1Å; D92-V96 WeakPolarHBondContact O-CG2 3.48Å; D92-V96 PolarHBondContact O-N 3.17Å
93M90Very high86.9Confident1 Ų143.8 Ų43.81%0.00522%0.215CC..Hα-helixtrans-60.4-44178.2-167.469.1-15300111.2V88 N89 A95 V96 L97 V118 M121 I386 L390V88-M93 HydrophobicContact CG2-CB 4.29Å; V88-M93 HydrophobicContact CG2-SD 4.38Å; N89-M93 WeakPolarHBondContact O-CB 3.42Å; N89-M93 PolarHBondContact O-N 3.02Å; M93-A95 VanDerWaalsContact C-N 3.34Å; M93-A95 PolarHBondContact O-N 3.1Å; M93-V96 PolarHBondContact O-N 3.46Å; M93-L97 HydrophobicContact CE-CD1 3.92Å; M93-L97 HydrophobicContact CE-CD2 3.96Å; M93-L97 HydrophobicContact CE-CG 3.9Å; M93-L97 HydrophobicContact CG-CD1 4.11Å; M93-L97 VanDerWaalsContact O-CG 3.28Å; M93-L97 WeakPolarHBondContact O-CG 3.34Å; M93-L97 PolarHBondContact O-N 3.44Å; M93-V118 HydrophobicContact CE-CG1 4.5Å; M93-M121 HydrophobicContact SD-SD 4.39Å; M93-I386 HydrophobicContact CE-CD1 4.4Å; M93-I386 HydrophobicContact CE-CG1 4.49Å; M93-I386 HydrophobicContact SD-CG1 4.29Å; M93-L390 HydrophobicContact CE-CD1 4.15Å
94N84.8Confident85.8Confident44 Ų4451.2 Ų51.224%0.23525%0.254CS..Hα-helixtrans-61.5-38.6173.6-87.6-45.7000112.8V90 K91 D92 R98 V393V90-N94 WeakPolarHBondContact O-CB 3.47Å; V90-N94 PolarHBondContact O-N 2.78Å; V90-N94 VanDerWaalsContact O-N 3.14Å; V90-N94 PolarHBondContact O-ND2 3.47Å; K91-N94 PolarHBondContact O-N 3.43Å; D92-N94 VanDerWaalsContact C-N 3.34Å; D92-N94 PolarHBondContact O-N 2.85Å; N94-R98 VanDerWaalsContact O-CB 3.32Å; N94-R98 WeakPolarHBondContact O-CB 3.29Å; N94-R98 WeakPolarHBondContact O-CG 3.24Å; N94-R98 PolarHBondContact O-N 2.91Å; N94-V393 VanDerWaalsContact OD1-CG1 3.23Å; N94-V393 WeakPolarHBondContact OD1-CG1 3.17Å
95A85.9Confident84.9Confident28 Ų2859.9 Ų59.923%0.23129%0.292CS..Hα-helixtrans-65.5-44.2176.200000111.8L59 K91 D92 M93 L97 R98 Y99L59-A95 HydrophobicContact CD1-CB 3.78Å; K91-A95 PolarHBondContact O-N 2.77Å; D92-A95 WeakPolarHBondContact O-CB 3.2Å; D92-A95 PolarHBondContact O-N 3Å; D92-A95 VanDerWaalsContact O-N 3.1Å; M93-A95 VanDerWaalsContact C-N 3.34Å; M93-A95 PolarHBondContact O-N 3.1Å; A95-L97 PolarHBondContact O-N 2.96Å; A95-R98 PolarHBondContact O-N 2.97Å; A95-Y99 PolarHBondContact O-N 3.15Å
96V89.3Confident84.1Confident1 Ų167.3 Ų67.31%0.00632%0.315CS..Hα-helixtrans-60.3-45.6175.7172.10000111.4L59 D92 M93 Y99 L100 L114 V118 M121L59-V96 HydrophobicContact CD1-CG2 3.77Å; L59-V96 HydrophobicContact CD2-CG2 4.33Å; D92-V96 WeakPolarHBondContact O-CG2 3.48Å; D92-V96 PolarHBondContact O-N 3.17Å; M93-V96 PolarHBondContact O-N 3.46Å; V96-Y99 WeakPolarHBondContact O-CB 3.42Å; V96-Y99 PolarHBondContact O-N 2.94Å; V96-L100 PolarHBondContact O-N 2.97Å; V96-L100 VanDerWaalsContact O-N 3.08Å; V96-L114 HydrophobicContact CG1-CD1 4.23Å; V96-L114 HydrophobicContact CG1-CD2 4.18Å; V96-L114 HydrophobicContact CG1-CG 4.16Å; V96-V118 HydrophobicContact CG1-CG2 3.61Å; V96-M121 HydrophobicContact CG1-CE 4.3Å; V96-M121 HydrophobicContact CG2-CE 4.17Å
97L85.9Confident83.4Confident23 Ų2367.8 Ų67.812%0.1232%0.317CS..Hα-helixtrans-69.6-36.3-180-67.4170.4000112.8M93 A95 Y99 L100 I398 L399 L402M93-L97 HydrophobicContact CE-CD1 3.92Å; M93-L97 HydrophobicContact CE-CD2 3.96Å; M93-L97 HydrophobicContact CE-CG 3.9Å; M93-L97 HydrophobicContact CG-CD1 4.11Å; M93-L97 VanDerWaalsContact O-CG 3.28Å; M93-L97 WeakPolarHBondContact O-CG 3.34Å; M93-L97 PolarHBondContact O-N 3.44Å; A95-L97 PolarHBondContact O-N 2.96Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-L100 PolarHBondContact O-N 3Å; L97-I398 HydrophobicContact CD1-CD1 3.33Å; L97-I398 HydrophobicContact CD1-CG1 3.9Å; L97-L399 HydrophobicContact CD2-CD2 3.54Å; L97-L402 HydrophobicContact CD2-CD1 4.38Å
98R83.1Confident82.7Confident183 Ų18368.8 Ų68.869%0.69132%0.323SS*.Hα-helixtrans-64.1-38.7171.9-75.8170.8178.1-178.9-2.8111.7N94 A95 L100 R101N94-R98 VanDerWaalsContact O-CB 3.32Å; N94-R98 WeakPolarHBondContact O-CB 3.29Å; N94-R98 WeakPolarHBondContact O-CG 3.24Å; N94-R98 PolarHBondContact O-N 2.91Å; A95-R98 PolarHBondContact O-N 2.97Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.49Å; R98-R101 VanDerWaalsContact O-CB 3.31Å; R98-R101 WeakPolarHBondContact O-CB 3.33Å; R98-R101 PolarHBondContact O-N 3.3Å
99Y84Confident82.1Confident26 Ų2671.2 Ų71.210%0.10234%0.34CS..Hα-helixtrans-64.5-34.6173.8-170.6-75.6000112.2L62 A63 A95 V96 L97 R101 P108 C109 L114L62-Y99 HydrophobicContact CB-CE2 4.06Å; L62-Y99 HydrophobicContact CD2-CE1 4.09Å; L62-Y99 HydrophobicContact CD2-CE2 4.23Å; L62-Y99 HydrophobicContact CG-CE2 4.37Å; L62-Y99 PolarHBondContact O-OH 3.33Å; A63-Y99 HydrophobicContact CB-CD2 4.38Å; A63-Y99 HydrophobicContact CB-CE2 3.78Å; A95-Y99 PolarHBondContact O-N 3.15Å; V96-Y99 WeakPolarHBondContact O-CB 3.42Å; V96-Y99 PolarHBondContact O-N 2.94Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-R101 PolarHBondContact O-N 3.01Å; Y99-P108 HydrophobicContact CD1-CB 4.48Å; Y99-P108 HydrophobicContact CE1-CB 3.95Å; Y99-P108 WeakPolarHBondContact O-CG 3.39Å; Y99-C109 PolarHBondContact OH-O 2.79Å; Y99-L114 HydrophobicContact CD1-CD2 3.3Å; Y99-L114 HydrophobicContact CE1-CD2 4.08Å; Y99-L114 HydrophobicContact CG-CD2 3.78Å
100L86.2Confident81.9Confident1 Ų170.4 Ų70.41%0.00533%0.334CS..THydrogen-bonded Turntrans-71.1-3.6176.5-70.3172.7000113.8V96 L97 R98 A102 W107 L114 L115 V118 L402V96-L100 PolarHBondContact O-N 2.97Å; V96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 PolarHBondContact O-N 3Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.49Å; L100-A102 PolarHBondContact O-N 3.02Å; L100-W107 WeakPolarHBondContact O-CZ3 3.43Å; L100-L114 HydrophobicContact CD2-CB 4.3Å; L100-L114 HydrophobicContact CD2-CD2 4.1Å; L100-L114 HydrophobicContact CD2-CG 4.34Å; L100-L114 HydrophobicContact CG-CD2 4.12Å; L100-L115 HydrophobicContact CD1-CD1 4.12Å; L100-V118 HydrophobicContact CD1-CG2 4.39Å; L100-L402 HydrophobicContact CB-CD2 3.88Å; L100-L402 HydrophobicContact CD1-CD1 4.08Å
101R82.5Confident81.9Confident151 Ų15168.1 Ų68.157%0.5732%0.32SS*.SBendtrans-76.7120.9178-175.8178.4175.1166-0.5111.7R98 Y99 P108 N1231R98-R101 VanDerWaalsContact O-CB 3.31Å; R98-R101 WeakPolarHBondContact O-CB 3.33Å; R98-R101 PolarHBondContact O-N 3.3Å; Y99-R101 PolarHBondContact O-N 3.01Å; R101-P108 WeakPolarHBondContact O-CG 3.4Å; R101-N1231 PolarHBondContact NH1-OD1 3.48Å; R101-N1231 VanDerWaalsContact NH1-OD1 3.09Å
102A77.4Confident81.9Confident23 Ų2361.8 Ų61.819%0.1930%0.296CS..  trans-58.7141.5170.700000112.6L100 R106 W107 Q405 L408L100-A102 PolarHBondContact O-N 3.02Å; A102-R106 WeakPolarHBondContact CA-O 3.32Å; A102-R106 WeakPolarHBondContact CB-O 3.43Å; A102-W107 HydrophobicContact CB-CE3 4.47Å; A102-Q405 HydrophobicContact CB-CG 4.4Å; A102-L408 HydrophobicContact CB-CD1 3.56Å
103S71.9Confident81.8Confident72 Ų7263.5 Ų63.550%0.50330%0.303SS..BIsolated β-bridgetrans-131.8147.217563.10000109.4K105 R106S103-K105 PolarHBondContact O-N 3.14Å; S103-K105 VanDerWaalsContact O-N 3.09Å; S103-R106 PolarHBondContact N-O 2.97Å; S103-R106 PolarHBondContact O-N 3.48Å
104N72.1Confident81.8Confident156 Ų15663.5 Ų63.583%0.83430%0.303SS*.THydrogen-bonded Turntrans49.937.6-179-60.5-21.5000114.8R106N104-R106 PolarHBondContact O-N 2.87Å
105K73.4Confident82.1Confident185 Ų18561.5 Ų61.580%0.80429%0.292SS*.THydrogen-bonded Turntrans54.534.3-173.8-56.8-171.6178.9-172.90114S103 L408S103-K105 PolarHBondContact O-N 3.14Å; S103-K105 VanDerWaalsContact O-N 3.09Å; K105-L408 HydrophobicContact CB-CD2 3.99Å; K105-L408 WeakPolarHBondContact O-CD2 3.46Å
106R73.1Confident82.3Confident196 Ų19662.9 Ų62.974%0.7430%0.298SS*.BIsolated β-bridgetrans-135.2141.6171.2-64.9-174179-173.3-0.7110.1A102 S103 N104A102-R106 WeakPolarHBondContact CA-O 3.32Å; A102-R106 WeakPolarHBondContact CB-O 3.43Å; S103-R106 PolarHBondContact N-O 2.97Å; S103-R106 PolarHBondContact O-N 3.48Å; N104-R106 PolarHBondContact O-N 2.87Å
107W77Confident82.5Confident31 Ų3163 Ų6312%0.11730%0.298CS..PPolyproline II helixtrans-63.7142.1164.1-69.2103.5000109.3L100 A102 Q405 L408 F413L100-W107 WeakPolarHBondContact O-CZ3 3.43Å; A102-W107 HydrophobicContact CB-CE3 4.47Å; W107-Q405 HydrophobicContact CH2-CB 3.34Å; W107-Q405 HydrophobicContact CH2-CG 4.27Å; W107-Q405 HydrophobicContact CZ2-CB 3.4Å; W107-Q405 WeakPolarHBondContact CZ2-O 3.3Å; W107-Q405 HydrophobicContact CZ3-CB 4.14Å; W107-Q405 PolarHBondContact NE1-O 3.27Å; W107-L408 PolarHBondContact NE1-O 3.43Å; W107-F413 HydrophobicContact CD2-CE2 4.3Å; W107-F413 HydrophobicContact CD2-CZ 4.41Å; W107-F413 AromaticContact CE3-CE2 3.99Å; W107-F413 HydrophobicContact CE3-CE2 3.99Å; W107-F413 AromaticContact CE3-CZ 3.94Å; W107-F413 HydrophobicContact CE3-CZ 3.94Å; W107-F413 HydrophobicContact CH2-CD1 4.09Å; W107-F413 AromaticContact CH2-CE1 3.22Å; W107-F413 HydrophobicContact CH2-CE1 3.22Å; W107-F413 HydrophobicContact CH2-CE2 4.01Å; W107-F413 AromaticContact CH2-CZ 3.18Å; W107-F413 HydrophobicContact CH2-CZ 3.18Å; W107-F413 AromaticContact CZ2-CD1 3.82Å; W107-F413 HydrophobicContact CZ2-CD1 3.82Å; W107-F413 AromaticContact CZ2-CE1 3.44Å; W107-F413 HydrophobicContact CZ2-CE1 3.44Å; W107-F413 VanDerWaalsContact CZ2-CE1 3.44Å; W107-F413 HydrophobicContact CZ2-CE2 4.32Å; W107-F413 HydrophobicContact CZ2-CG 4.42Å; W107-F413 AromaticContact CZ2-CZ 3.73Å; W107-F413 HydrophobicContact CZ2-CZ 3.73Å; W107-F413 AromaticContact CZ3-CE1 3.89Å; W107-F413 HydrophobicContact CZ3-CE1 3.89Å; W107-F413 AromaticContact CZ3-CE2 3.84Å; W107-F413 HydrophobicContact CZ3-CE2 3.84Å; W107-F413 AromaticContact CZ3-CZ 3.31Å; W107-F413 HydrophobicContact CZ3-CZ 3.31Å
108P79.5Confident82.8Confident32 Ų3262 Ų6221%0.20829%0.293CS..PPolyproline II helixtrans-58.1159171.4-29.740.7000112.3Y99 R101 H110 S111Y99-P108 HydrophobicContact CD1-CB 4.48Å; Y99-P108 HydrophobicContact CE1-CB 3.95Å; Y99-P108 WeakPolarHBondContact O-CG 3.39Å; R101-P108 WeakPolarHBondContact O-CG 3.4Å; P108-H110 PolarHBondContact O-N 2.69Å; P108-S111 WeakPolarHBondContact CD-OG 3.26Å; P108-S111 PolarHBondContact O-N 3.14Å; P108-S111 PolarHBondContact O-OG 3.4Å
109C78Confident83.3Confident52 Ų5256.1 Ų56.135%0.35127%0.273SS..THydrogen-bonded Turntrans-57.1143.8175.4-74.80000110.2N66 Y99 S111N66-C109 PolarHBondContact OD1-SG 3.32Å; Y99-C109 PolarHBondContact OH-O 2.79Å; C109-S111 PolarHBondContact O-N 2.82Å
110H83.4Confident83.7Confident35 Ų3557.2 Ų57.216%0.16228%0.279CS..THydrogen-bonded Turntrans58.910.8179-42.7-54.5000116.8L62 A73 P108 V112 K113 L114L62-H110 HydrophobicContact CD2-CB 4.44Å; A73-H110 WeakPolarHBondContact CB-NE2 3.42Å; P108-H110 PolarHBondContact O-N 2.69Å; H110-V112 PolarHBondContact O-N 2.88Å; H110-V112 VanDerWaalsContact O-N 3.1Å; H110-K113 HydrophobicContact CB-CB 4.31Å; H110-K113 HydrophobicContact CB-CD 4.31Å; H110-K113 HydrophobicContact CB-CG 4.47Å; H110-K113 WeakPolarHBondContact O-CA 3.29Å; H110-K113 WeakPolarHBondContact O-CB 3.28Å; H110-K113 PolarHBondContact O-N 3.44Å; H110-L114 PolarHBondContact O-N 3.43Å
111S86.8Confident84Confident3 Ų357.3 Ų57.32%0.02128%0.279CS..Hα-helixtrans-53.3-36.4179.1-61.90000113.8P108 C109 L114 L115P108-S111 WeakPolarHBondContact CD-OG 3.26Å; P108-S111 PolarHBondContact O-N 3.14Å; P108-S111 PolarHBondContact O-OG 3.4Å; C109-S111 PolarHBondContact O-N 2.82Å; S111-L114 PolarHBondContact O-N 2.95Å; S111-L115 VanDerWaalsContact O-CB 3.32Å; S111-L115 WeakPolarHBondContact O-CB 3.32Å; S111-L115 PolarHBondContact O-N 3.3Å
112V86.3Confident84.2Confident41 Ų4151.2 Ų51.225%0.24826%0.258CS..Hα-helixtrans-61.5-42.6173.8179.60000111.5H110 L115 V116 S410 F413 I416H110-V112 PolarHBondContact O-N 2.88Å; H110-V112 VanDerWaalsContact O-N 3.1Å; V112-L115 PolarHBondContact O-N 2.95Å; V112-V116 WeakPolarHBondContact O-CG2 3.48Å; V112-V116 PolarHBondContact O-N 3.31Å; V112-V116 VanDerWaalsContact O-N 3.09Å; V112-S410 WeakPolarHBondContact CG2-OG 3.38Å; V112-F413 HydrophobicContact CG2-CB 4.39Å; V112-F413 HydrophobicContact CG2-CD2 4.11Å; V112-I416 HydrophobicContact CG1-CD1 3.72Å
113K88.1Confident84.6Confident49 Ų4958.6 Ų58.621%0.21328%0.28CS..Hα-helixtrans-65.9-44.1176.4-60.1-172.5178.7-173.40110.9D74 I77 H110 L115 V116 V117D74-K113 WeakPolarHBondContact OD1-CE 3.42Å; D74-K113 IonicContact OD1-NZ 2.82Å; D74-K113 PolarHBondContact OD1-NZ 3.01Å; D74-K113 IonicContact OD2-NZ 3.07Å; D74-K113 PolarHBondContact OD2-NZ 3.46Å; I77-K113 HydrophobicContact CD1-CB 3.85Å; I77-K113 HydrophobicContact CG1-CB 3.9Å; I77-K113 HydrophobicContact CG1-CD 4.27Å; I77-K113 HydrophobicContact CG2-CB 4.2Å; H110-K113 HydrophobicContact CB-CB 4.31Å; H110-K113 HydrophobicContact CB-CD 4.31Å; H110-K113 HydrophobicContact CB-CG 4.47Å; H110-K113 WeakPolarHBondContact O-CA 3.29Å; H110-K113 WeakPolarHBondContact O-CB 3.28Å; H110-K113 PolarHBondContact O-N 3.44Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 2.87Å; K113-V116 WeakPolarHBondContact O-CA 3.25Å; K113-V116 WeakPolarHBondContact O-CB 3.35Å; K113-V116 PolarHBondContact O-N 3.46Å; K113-V116 VanDerWaalsContact O-N 3.12Å; K113-V117 PolarHBondContact O-N 3.25Å
114L89.9Confident85.1Confident1 Ų157 Ų571%0.00527%0.265CS..Hα-helixtrans-64.1-35.2176.6-174.164.1000112.3L59 I77 V96 Y99 L100 H110 S111 V116 V117 V118L59-L114 HydrophobicContact CD2-CD1 3.88Å; L59-L114 HydrophobicContact CD2-CD2 4.15Å; I77-L114 HydrophobicContact CD1-CB 4.44Å; V96-L114 HydrophobicContact CG1-CD1 4.23Å; V96-L114 HydrophobicContact CG1-CD2 4.18Å; V96-L114 HydrophobicContact CG1-CG 4.16Å; Y99-L114 HydrophobicContact CD1-CD2 3.3Å; Y99-L114 HydrophobicContact CE1-CD2 4.08Å; Y99-L114 HydrophobicContact CG-CD2 3.78Å; L100-L114 HydrophobicContact CD2-CB 4.3Å; L100-L114 HydrophobicContact CD2-CD2 4.1Å; L100-L114 HydrophobicContact CD2-CG 4.34Å; L100-L114 HydrophobicContact CG-CD2 4.12Å; H110-L114 PolarHBondContact O-N 3.43Å; S111-L114 PolarHBondContact O-N 2.95Å; L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 3.04Å; L114-V117 HydrophobicContact CD1-CB 4.28Å; L114-V117 HydrophobicContact CD1-CG2 4.32Å; L114-V117 WeakPolarHBondContact O-CA 3.46Å; L114-V117 VanDerWaalsContact O-CB 3.25Å; L114-V117 WeakPolarHBondContact O-CB 3.34Å; L114-V117 PolarHBondContact O-N 2.97Å; L114-V118 PolarHBondContact O-N 3.5Å
115L90Very high85.4Confident2 Ų255.2 Ų55.21%0.0126%0.255CS..Hα-helixtrans-66.1-35174-165.370.1000111.6L100 S111 V112 K113 V117 V118 K119 F413 I416 L417 I420L100-L115 HydrophobicContact CD1-CD1 4.12Å; S111-L115 VanDerWaalsContact O-CB 3.32Å; S111-L115 WeakPolarHBondContact O-CB 3.32Å; S111-L115 PolarHBondContact O-N 3.3Å; V112-L115 PolarHBondContact O-N 2.95Å; K113-L115 VanDerWaalsContact C-N 3.31Å; K113-L115 PolarHBondContact O-N 2.87Å; L115-V117 VanDerWaalsContact C-N 3.34Å; L115-V118 PolarHBondContact O-N 3.21Å; L115-K119 PolarHBondContact O-N 3.26Å; L115-K119 VanDerWaalsContact O-N 3.09Å; L115-F413 HydrophobicContact CD2-CD1 4.34Å; L115-F413 HydrophobicContact CD2-CD2 3.86Å; L115-F413 HydrophobicContact CD2-CE1 4.24Å; L115-F413 HydrophobicContact CD2-CE2 3.75Å; L115-F413 HydrophobicContact CD2-CG 4.15Å; L115-F413 HydrophobicContact CD2-CZ 3.94Å; L115-I416 HydrophobicContact CB-CG2 4.24Å; L115-I416 HydrophobicContact CD2-CB 3.81Å; L115-I416 HydrophobicContact CD2-CG2 3.75Å; L115-I416 HydrophobicContact CG-CB 4.36Å; L115-I416 HydrophobicContact CG-CG2 3.71Å; L115-L417 HydrophobicContact CD1-CD1 4.31Å; L115-L417 HydrophobicContact CD2-CB 4.01Å; L115-I420 HydrophobicContact CD1-CD1 3.63Å; L115-I420 HydrophobicContact CG-CD1 3.77Å
116V91.4Very high85.9Confident58 Ų5846.9 Ų46.935%0.35222%0.222SC..Hα-helixtrans-62.5-39.7167.5176.40000111.1V112 K113 L114 V118 K119 Q120 I416V112-V116 WeakPolarHBondContact O-CG2 3.48Å; V112-V116 PolarHBondContact O-N 3.31Å; V112-V116 VanDerWaalsContact O-N 3.09Å; K113-V116 WeakPolarHBondContact O-CA 3.25Å; K113-V116 WeakPolarHBondContact O-CB 3.35Å; K113-V116 PolarHBondContact O-N 3.46Å; K113-V116 VanDerWaalsContact O-N 3.12Å; L114-V116 VanDerWaalsContact C-N 3.32Å; L114-V116 PolarHBondContact O-N 3.04Å; V116-V118 PolarHBondContact O-N 3.41Å; V116-K119 WeakPolarHBondContact O-CB 3.24Å; V116-K119 PolarHBondContact O-N 3.09Å; V116-Q120 HydrophobicContact CG1-CG 4.39Å; V116-Q120 WeakPolarHBondContact O-CG 3.12Å; V116-Q120 PolarHBondContact O-N 2.93Å; V116-I416 HydrophobicContact CG2-CD1 3.95Å; V116-I416 HydrophobicContact CG2-CG2 4.35Å
117V93.4Very high86.8Confident2 Ų237.7 Ų37.71%0.01219%0.187CC..Hα-helixtrans-57.1-49173.2-1740000110.7I77 L80 T84 K113 L114 L115 K119 Q120 M121I77-V117 HydrophobicContact CD1-CG2 4.07Å; I77-V117 HydrophobicContact CG2-CG2 3.86Å; L80-V117 HydrophobicContact CB-CG1 4.46Å; T84-V117 WeakPolarHBondContact OG1-CG1 3.09Å; K113-V117 PolarHBondContact O-N 3.25Å; L114-V117 HydrophobicContact CD1-CB 4.28Å; L114-V117 HydrophobicContact CD1-CG2 4.32Å; L114-V117 WeakPolarHBondContact O-CA 3.46Å; L114-V117 VanDerWaalsContact O-CB 3.25Å; L114-V117 WeakPolarHBondContact O-CB 3.34Å; L114-V117 PolarHBondContact O-N 2.97Å; L115-V117 VanDerWaalsContact C-N 3.34Å; V117-K119 VanDerWaalsContact C-N 3.26Å; V117-K119 PolarHBondContact O-N 3.02Å; V117-Q120 CarbonylContact O-C 3.54Å; V117-Q120 WeakPolarHBondContact O-CA 3.25Å; V117-Q120 WeakPolarHBondContact O-CB 3.3Å; V117-Q120 PolarHBondContact O-N 3.17Å; V117-M121 HydrophobicContact CG1-CE 3.9Å; V117-M121 WeakPolarHBondContact O-CG 3.34Å; V117-M121 PolarHBondContact O-N 3.21Å
118V92.2Very high87.3Confident3 Ų337.3 Ų37.32%0.01819%0.187CC..Hα-helixtrans-55-42.3176.81770000111.5M93 V96 L100 L114 L115 V116 Q120 M121 I386 I420M93-V118 HydrophobicContact CE-CG1 4.5Å; V96-V118 HydrophobicContact CG1-CG2 3.61Å; L100-V118 HydrophobicContact CD1-CG2 4.39Å; L114-V118 PolarHBondContact O-N 3.5Å; L115-V118 PolarHBondContact O-N 3.21Å; V116-V118 PolarHBondContact O-N 3.41Å; V118-Q120 PolarHBondContact O-N 3.46Å; V118-M121 HydrophobicContact CG2-CE 4.12Å; V118-M121 WeakPolarHBondContact O-CB 3.21Å; V118-M121 PolarHBondContact O-N 2.81Å; V118-I386 HydrophobicContact CG1-CD1 3.88Å; V118-I420 HydrophobicContact CB-CD1 4.17Å; V118-I420 HydrophobicContact CG1-CD1 4.03Å; V118-I420 HydrophobicContact CG1-CG2 4.37Å
119K92.8Very high88Confident60 Ų6037.6 Ų37.626%0.26119%0.187SC..Hα-helixtrans-64-36.5173.9-169.6175.3-179.31700112.9L115 V116 V117 M122 S419 I420 Q423L115-K119 PolarHBondContact O-N 3.26Å; L115-K119 VanDerWaalsContact O-N 3.09Å; V116-K119 WeakPolarHBondContact O-CB 3.24Å; V116-K119 PolarHBondContact O-N 3.09Å; V117-K119 VanDerWaalsContact C-N 3.26Å; V117-K119 PolarHBondContact O-N 3.02Å; K119-M122 WeakPolarHBondContact O-CB 3.33Å; K119-S419 WeakPolarHBondContact CE-OG 3.47Å; K119-S419 PolarHBondContact NZ-OG 2.94Å; K119-I420 HydrophobicContact CB-CD1 4.21Å; K119-I420 HydrophobicContact CB-CG1 3.81Å; K119-I420 HydrophobicContact CG-CG1 4.19Å; K119-Q423 VanDerWaalsContact CE-OE1 3.29Å
120Q91.5Very high88.8Confident49 Ų4935.3 Ų35.323%0.22917%0.171CC..Hα-helixtrans-70.4-33.1175.9-63.8-61.9-36.200112.6T81 T85 V116 V117 V118 M122 R123T81-Q120 HydrophobicContact CG2-CB 3.73Å; T81-Q120 HydrophobicContact CG2-CG 3.91Å; T85-Q120 HydrophobicContact CG2-CB 4.13Å; T85-Q120 WeakPolarHBondContact CG2-O 3.14Å; V116-Q120 HydrophobicContact CG1-CG 4.39Å; V116-Q120 WeakPolarHBondContact O-CG 3.12Å; V116-Q120 PolarHBondContact O-N 2.93Å; V117-Q120 CarbonylContact O-C 3.54Å; V117-Q120 WeakPolarHBondContact O-CA 3.25Å; V117-Q120 WeakPolarHBondContact O-CB 3.3Å; V117-Q120 PolarHBondContact O-N 3.17Å; V118-Q120 PolarHBondContact O-N 3.46Å; Q120-M122 PolarHBondContact O-N 3.02Å; Q120-R123 WeakPolarHBondContact O-CB 3.28Å; Q120-R123 PolarHBondContact O-N 2.83Å; Q120-R123 VanDerWaalsContact OE1-CD 3.3Å
121M92.5Very high89.4Confident2 Ų233.7 Ų33.71%0.0116%0.163CC..Hα-helixtrans-54-25.2177.3-61.6179.1-16500113.3T84 V88 M93 V96 V117 V118 R123 I386T84-M121 HydrophobicContact CG2-CE 3.89Å; V88-M121 HydrophobicContact CB-SD 4.29Å; V88-M121 HydrophobicContact CG1-SD 4.02Å; V88-M121 HydrophobicContact CG2-SD 4.06Å; M93-M121 HydrophobicContact SD-SD 4.39Å; V96-M121 HydrophobicContact CG1-CE 4.3Å; V96-M121 HydrophobicContact CG2-CE 4.17Å; V117-M121 HydrophobicContact CG1-CE 3.9Å; V117-M121 WeakPolarHBondContact O-CG 3.34Å; V117-M121 PolarHBondContact O-N 3.21Å; V118-M121 HydrophobicContact CG2-CE 4.12Å; V118-M121 WeakPolarHBondContact O-CB 3.21Å; V118-M121 PolarHBondContact O-N 2.81Å; M121-R123 PolarHBondContact O-N 3.31Å; M121-I386 HydrophobicContact CB-CB 4.09Å; M121-I386 HydrophobicContact CB-CD1 4.17Å; M121-I386 HydrophobicContact CB-CG2 4.39Å; M121-I386 HydrophobicContact SD-CD1 4.42Å
122M88.4Confident89.6Confident24 Ų2433.9 Ų33.912%0.11817%0.165CC..THydrogen-bonded Turntrans-71.3-12.8177.6-53.8-173.962.300114K119 Q120 I386 Y387 I420 Q423 L424K119-M122 WeakPolarHBondContact O-CB 3.33Å; Q120-M122 PolarHBondContact O-N 3.02Å; M122-I386 HydrophobicContact CB-CG2 4.44Å; M122-I386 HydrophobicContact CG-CD1 4.22Å; M122-I386 HydrophobicContact CG-CG2 3.95Å; M122-Y387 HydrophobicContact CE-CE1 4.27Å; M122-Y387 WeakPolarHBondContact CE-OH 3.36Å; M122-I420 HydrophobicContact SD-CG2 4.41Å; M122-Q423 HydrophobicContact CE-CB 3.48Å; M122-Q423 VanDerWaalsContact CE-CB 3.48Å; M122-Q423 HydrophobicContact SD-CB 3.91Å; M122-L424 HydrophobicContact CE-CB 4.31Å; M122-L424 HydrophobicContact CE-CD2 3.57Å; M122-L424 HydrophobicContact CE-CG 3.69Å; M122-L424 HydrophobicContact SD-CD2 4.18Å; M122-L424 HydrophobicContact SD-CG 4.12Å
123R84.6Confident89.9Confident177 Ų17732 Ų3267%0.66815%0.153SC*.THydrogen-bonded Turntrans-92.913.8-179.9-62.9-178.4168.5177.5-16114Q120 M121 D125Q120-R123 WeakPolarHBondContact O-CB 3.28Å; Q120-R123 PolarHBondContact O-N 2.83Å; Q120-R123 VanDerWaalsContact OE1-CD 3.3Å; M121-R123 PolarHBondContact O-N 3.31Å; R123-D125 PolarHBondContact O-N 3.43Å
124K83.6Confident89.7Confident40 Ų4030.5 Ų30.517%0.17415%0.149CC..  trans-53.5129.9176.3179.3176.9178.6-176.60110.6T85 Y86 D128 T383 H384T85-K124 WeakPolarHBondContact O-CB 3.46Å; T85-K124 WeakPolarHBondContact O-CG 2.93Å; Y86-K124 WeakPolarHBondContact O-CE 3.31Å; K124-D128 IonicContact NZ-OD1 3.36Å; K124-D128 PolarHBondContact NZ-OD1 3.45Å; K124-T383 PolarHBondContact NZ-OG1 2.98Å; K124-H384 PolarHBondContact NZ-O 2.98Å
125D76.7Confident89.3Confident117 Ų11731.5 Ų31.563%0.62616%0.159SC*.  trans-110.3147.2178.8-176.427.4000111.1R123R123-D125 PolarHBondContact O-N 3.43Å
126G85.4Confident88.9Confident11 Ų1136.4 Ų36.411%0.11318%0.182CC..SBendtrans86.6-177.2-178.200000116W224G126-W224 VanDerWaalsContact CA-CD1 3.45Å
127P90.4Very high88.3Confident2 Ų236.5 Ų36.51%0.01318%0.184CC..  trans-72.7147.2179.527-29.6000112.8F130 W224 P309 N310P127-F130 HydrophobicContact CB-CD1 4.41Å; P127-F130 HydrophobicContact CG-CB 3.97Å; P127-F130 HydrophobicContact CG-CD1 3.84Å; P127-F130 HydrophobicContact CG-CG 4.27Å; P127-F130 WeakPolarHBondContact O-CD1 3.09Å; P127-F130 WeakPolarHBondContact O-CE1 3.22Å; P127-W224 VanDerWaalsContact CD-CZ2 3.46Å; P127-W224 HydrophobicContact CG-CE3 4.49Å; P127-W224 HydrophobicContact CG-CH2 3.59Å; P127-W224 HydrophobicContact CG-CZ2 3.62Å; P127-W224 HydrophobicContact CG-CZ3 4.06Å; P127-P309 HydrophobicContact CB-CB 3.97Å; P127-P309 HydrophobicContact CG-CB 4.28Å; P127-N310 VanDerWaalsContact CA-OD1 3.32Å; P127-N310 WeakPolarHBondContact CA-OD1 3.44Å
128D89.5Confident87.6Confident23 Ų2340.1 Ų40.112%0.12320%0.203CC..SBendtrans-67.4-36.2169.9-76.9-45000111.5K124 N310 T383 S385K124-D128 IonicContact NZ-OD1 3.36Å; K124-D128 PolarHBondContact NZ-OD1 3.45Å; D128-N310 PolarHBondContact N-OD1 3.29Å; D128-N310 PolarHBondContact OD2-ND2 3.29Å; D128-T383 WeakPolarHBondContact CA-OG1 3.4Å; D128-T383 WeakPolarHBondContact O-CA 3.34Å; D128-T383 PolarHBondContact O-N 2.87Å; D128-T383 VanDerWaalsContact O-O 3.1Å; D128-T383 PolarHBondContact O-OG1 3.05Å; D128-S385 PolarHBondContact OD1-N 2.76Å
129I93.6Very high87.3Confident39 Ų3940 Ų4020%0.220%0.202CC..EExtended strand (participates in β ladder)trans-128.3127.4-178.5-45.7176.8000110.3Q312 P346 K347 V380 V381 V382I129-Q312 PolarHBondContact O-NE2 3.24Å; I129-P346 HydrophobicContact CB-CB 4.37Å; I129-P346 HydrophobicContact CG2-CB 3.67Å; I129-K347 HydrophobicContact CD1-CB 3.82Å; I129-V380 HydrophobicContact CG2-CG1 3.62Å; I129-V381 WeakPolarHBondContact CA-O 3.48Å; I129-V382 HydrophobicContact CG1-CG1 4.33Å; I129-V382 HydrophobicContact CG1-CG2 4.48Å; I129-V382 HydrophobicContact CG2-CG2 4.08Å
130F94.9Very high87.2Confident4 Ų437.1 Ų37.12%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-149157.4-176.647.2-89.7000112.5Y86 P127 T132 W224 Q285 L286 V381 T383Y86-F130 WeakPolarHBondContact OH-CZ 3.31Å; P127-F130 HydrophobicContact CB-CD1 4.41Å; P127-F130 HydrophobicContact CG-CB 3.97Å; P127-F130 HydrophobicContact CG-CD1 3.84Å; P127-F130 HydrophobicContact CG-CG 4.27Å; P127-F130 WeakPolarHBondContact O-CD1 3.09Å; P127-F130 WeakPolarHBondContact O-CE1 3.22Å; F130-T132 WeakPolarHBondContact CE2-OG1 3.49Å; F130-W224 HydrophobicContact CB-CH2 4.07Å; F130-W224 HydrophobicContact CD1-CZ2 4.33Å; F130-W224 HydrophobicContact CG-CH2 4.24Å; F130-W224 HydrophobicContact CG-CZ2 4.24Å; F130-Q285 HydrophobicContact CD2-CB 4Å; F130-Q285 HydrophobicContact CD2-CG 3.87Å; F130-Q285 HydrophobicContact CE2-CG 3.95Å; F130-L286 WeakPolarHBondContact CB-O 3.35Å; F130-V381 HydrophobicContact CD2-CB 4.1Å; F130-V381 HydrophobicContact CE2-CB 3.58Å; F130-V381 HydrophobicContact CE2-CG1 3.86Å; F130-V381 HydrophobicContact CE2-CG2 4.14Å; F130-V381 HydrophobicContact CZ-CB 3.94Å; F130-V381 HydrophobicContact CZ-CG1 3.74Å; F130-V381 PolarHBondContact N-O 3.38Å; F130-V381 VanDerWaalsContact N-O 3.12Å; F130-V381 PolarHBondContact O-N 3.31Å; F130-T383 HydrophobicContact CE1-CG2 3.8Å; F130-T383 HydrophobicContact CZ-CG2 3.84Å
131F94.9Very high87.4Confident0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-73.7130.9163.3-57.3-67.2000109L133 I141 Q285 L286 L289 P346 M374 V378 R379 V380F131-L133 HydrophobicContact CB-CD1 3.94Å; F131-I141 HydrophobicContact CD1-CD1 3.92Å; F131-I141 HydrophobicContact CD2-CD1 3.92Å; F131-I141 HydrophobicContact CE1-CD1 4.03Å; F131-I141 HydrophobicContact CE2-CD1 4.03Å; F131-I141 HydrophobicContact CG-CD1 3.87Å; F131-I141 HydrophobicContact CZ-CD1 4.09Å; F131-Q285 CarbonylContact O-C 3.54Å; F131-Q285 WeakPolarHBondContact O-CA 3.28Å; F131-L286 HydrophobicContact CB-CB 4.45Å; F131-L286 PolarHBondContact N-O 3.18Å; F131-L286 PolarHBondContact O-N 3.32Å; F131-L289 HydrophobicContact CD2-CD1 4.32Å; F131-L289 HydrophobicContact CE2-CD1 4Å; F131-L289 HydrophobicContact CE2-CG 4.27Å; F131-P346 HydrophobicContact CD2-CG 3.73Å; F131-P346 HydrophobicContact CE1-CB 4.4Å; F131-P346 HydrophobicContact CE1-CG 4.42Å; F131-P346 HydrophobicContact CE2-CB 4.4Å; F131-P346 HydrophobicContact CE2-CG 3.6Å; F131-P346 HydrophobicContact CG-CG 4.21Å; F131-P346 HydrophobicContact CZ-CB 4.29Å; F131-P346 HydrophobicContact CZ-CG 3.97Å; F131-M374 HydrophobicContact CD1-SD 3.97Å; F131-M374 HydrophobicContact CE1-SD 3.75Å; F131-V378 HydrophobicContact CD1-CG1 4.41Å; F131-R379 CarbonylContact C-O 3.55Å; F131-R379 WeakPolarHBondContact CA-O 3.45Å; F131-V380 HydrophobicContact CD1-CG2 3.94Å; F131-V380 HydrophobicContact CE1-CG2 3.92Å
132T92.1Very high87.5Confident8 Ų837.6 Ų37.65%0.04919%0.192CC..EExtended strand (participates in β ladder)trans-106.7125.3164-63.60000108F130 Q285 V378 R379 V381F130-T132 WeakPolarHBondContact CE2-OG1 3.49Å; T132-Q285 HydrophobicContact CG2-CG 4.44Å; T132-V378 WeakPolarHBondContact O-CA 3.48Å; T132-R379 PolarHBondContact N-O 3.47Å; T132-R379 PolarHBondContact O-N 2.7Å; T132-V381 VanDerWaalsContact OG1-CG2 3.28Å; T132-V381 WeakPolarHBondContact OG1-CG2 3.47Å
133L91.6Very high87.7Confident0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-111.5124179.6-62.685.4000107.9F131 G135 F282 G284 L286 V378F131-L133 HydrophobicContact CB-CD1 3.94Å; L133-G135 PolarHBondContact O-N 3.02Å; L133-F282 HydrophobicContact CB-CD1 4.16Å; L133-F282 VanDerWaalsContact CB-O 3.27Å; L133-F282 WeakPolarHBondContact CB-O 3.35Å; L133-F282 HydrophobicContact CD1-CD1 4.26Å; L133-F282 HydrophobicContact CD2-CB 4.42Å; L133-F282 HydrophobicContact CD2-CD1 4.21Å; L133-F282 HydrophobicContact CG-CD1 4.45Å; L133-G284 PolarHBondContact N-O 3.06Å; L133-G284 PolarHBondContact O-N 3.23Å; L133-L286 HydrophobicContact CD1-CB 4.28Å; L133-L286 HydrophobicContact CD1-CD1 3.84Å; L133-L286 HydrophobicContact CD1-CG 3.91Å; L133-L286 HydrophobicContact CD2-CD1 4.3Å; L133-V378 HydrophobicContact CD2-CG2 4.32Å; L133-V378 HydrophobicContact CG-CG1 4.44Å; L133-V378 HydrophobicContact CG-CG2 4.06Å
134S84.1Confident88.1Confident18 Ų1828.4 Ų28.413%0.12616%0.157CC..EExtended strand (participates in β ladder)trans-70.4-30-170.867.70000113.9R44 H136 S139 S283 G377R44-S134 PolarHBondContact NH2-O 3.18Å; S134-H136 VanDerWaalsContact CB-ND1 3.3Å; S134-H136 WeakPolarHBondContact CB-ND1 3.21Å; S134-H136 PolarHBondContact OG-N 2.75Å; S134-H136 PolarHBondContact OG-ND1 2.87Å; S134-S139 PolarHBondContact OG-OG 3.4Å; S134-S139 VanDerWaalsContact OG-OG 3.05Å; S134-S283 PolarHBondContact O-OG 3.09Å; S134-G377 WeakPolarHBondContact CB-O 3.42Å; S134-G377 PolarHBondContact N-O 2.93Å; S134-G377 VanDerWaalsContact N-O 3.12Å; S134-G377 PolarHBondContact OG-O 3.09Å
135G81.7Confident88.5Confident22 Ų2228.6 Ų28.623%0.22716%0.163CC..  trans89.3-0.1-17000000114.6L133 S281 F282L133-G135 PolarHBondContact O-N 3.02Å; G135-S281 WeakPolarHBondContact O-CB 3.42Å; G135-F282 WeakPolarHBondContact CA-O 3.4Å; G135-F282 PolarHBondContact N-O 3.4Å
136H81.3Confident89.1Confident105 Ų10523 Ų2349%0.48613%0.133SC..SBendtrans-66.5155.9171.7-68.285.7000111.4S134 N138 S139 E166 S281S134-H136 VanDerWaalsContact CB-ND1 3.3Å; S134-H136 WeakPolarHBondContact CB-ND1 3.21Å; S134-H136 PolarHBondContact OG-N 2.75Å; S134-H136 PolarHBondContact OG-ND1 2.87Å; H136-N138 PolarHBondContact O-N 3.07Å; H136-S139 WeakPolarHBondContact O-CB 3.14Å; H136-S139 PolarHBondContact O-N 3.43Å; H136-E166 IonicContact CE1-OE1 3.21Å; H136-S281 WeakPolarHBondContact O-CB 3.32Å; H136-S281 PolarHBondContact O-OG 2.98Å
137P79.5Confident88.9Confident61 Ų6123.8 Ų23.840%0.39614%0.136SC..THydrogen-bonded Turntrans-51.6138.2175.513.2-25.4000111.9S139 V278P137-S139 PolarHBondContact O-N 2.91Å; P137-V278 HydrophobicContact CB-CG2 4.32Å; P137-V278 HydrophobicContact CG-CG1 4.1Å; P137-V278 HydrophobicContact CG-CG2 4.28Å
138N77.6Confident88.4Confident77 Ų7732.4 Ų32.441%0.41217%0.168SC..THydrogen-bonded Turntrans61.611.5-173.9-60-13.5000115.7H136 G140 M375H136-N138 PolarHBondContact O-N 3.07Å; N138-G140 PolarHBondContact O-N 3.35Å; N138-G140 VanDerWaalsContact O-N 3.14Å; N138-M375 HydrophobicContact CB-CE 4.18Å; N138-M375 VanDerWaalsContact O-CB 3.29Å; N138-M375 WeakPolarHBondContact O-CB 3.45Å
139S86.2Confident88.2Confident0 Ų031.7 Ų31.70%016%0.164CC..  trans-79.197.7175.5-156.70000111.4S134 H136 P137 D376 G377S134-S139 PolarHBondContact OG-OG 3.4Å; S134-S139 VanDerWaalsContact OG-OG 3.05Å; H136-S139 WeakPolarHBondContact O-CB 3.14Å; H136-S139 PolarHBondContact O-N 3.43Å; P137-S139 PolarHBondContact O-N 2.91Å; S139-D376 VanDerWaalsContact CA-O 3.24Å; S139-D376 WeakPolarHBondContact CA-O 3.23Å; S139-D376 WeakPolarHBondContact CB-O 3.47Å; S139-D376 PolarHBondContact OG-O 2.86Å; S139-G377 WeakPolarHBondContact OG-CA 3.22Å; S139-G377 PolarHBondContact OG-O 3.04Å; S139-G377 VanDerWaalsContact OG-O 3.08Å
140G91.2Very high87.3Confident0 Ų030.7 Ų30.70%016%0.16CC..SBendtrans-170.1-171.4178.600000113.2N138 V270 M375 V378N138-G140 PolarHBondContact O-N 3.35Å; N138-G140 VanDerWaalsContact O-N 3.14Å; G140-V270 CarbonylContact C-O 3.58Å; G140-V270 VanDerWaalsContact CA-O 3.3Å; G140-V270 WeakPolarHBondContact CA-O 3.36Å; G140-M375 WeakPolarHBondContact O-CB 3.24Å; G140-M375 WeakPolarHBondContact O-CG 3.47Å; G140-M375 PolarHBondContact O-N 3.26Å; G140-V378 VanDerWaalsContact O-CG2 3.29Å; G140-V378 WeakPolarHBondContact O-CG2 3.14Å
141I94.9Very high86.1Confident1 Ų138.3 Ų38.31%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-113.6114.4-179.3-60.2173.5000107.9F131 I143 F269 V270 L289 A372 V373 M374 V378F131-I141 HydrophobicContact CD1-CD1 3.92Å; F131-I141 HydrophobicContact CD2-CD1 3.92Å; F131-I141 HydrophobicContact CE1-CD1 4.03Å; F131-I141 HydrophobicContact CE2-CD1 4.03Å; F131-I141 HydrophobicContact CG-CD1 3.87Å; F131-I141 HydrophobicContact CZ-CD1 4.09Å; I141-I143 PolarHBondContact O-N 3.12Å; I141-F269 CarbonylContact O-C 3.43Å; I141-F269 WeakPolarHBondContact O-CA 3.15Å; I141-V270 HydrophobicContact CB-CB 4.41Å; I141-V270 PolarHBondContact N-O 3.42Å; I141-V270 PolarHBondContact O-N 3.45Å; I141-L289 HydrophobicContact CD1-CD1 3.92Å; I141-A372 HydrophobicContact CG2-CB 3.73Å; I141-V373 CarbonylContact C-O 3.41Å; I141-V373 WeakPolarHBondContact CA-O 3.46Å; I141-M374 HydrophobicContact CG1-CG 4.27Å; I141-V378 HydrophobicContact CD1-CG1 4.4Å; I141-V378 HydrophobicContact CG1-CG1 4.08Å
142H94.2Very high85.2Confident61 Ų6143.4 Ų43.428%0.28221%0.213SC..EExtended strand (participates in β ladder)trans-78.2116.5175.5179.5-64.3000109.9F269 A372 V373 M375H142-F269 HydrophobicContact CB-CD1 4.24Å; H142-F269 HydrophobicContact CB-CE1 4.05Å; H142-F269 AromaticContact CD2-CE1 3.48Å; H142-F269 VanDerWaalsContact CD2-CE1 3.48Å; H142-F269 WeakPolarHBondContact CD2-CE1 3.44Å; H142-F269 AromaticContact CD2-CZ 3.5Å; H142-A372 WeakPolarHBondContact O-CA 3.34Å; H142-A372 WeakPolarHBondContact O-CB 3.25Å; H142-V373 HydrophobicContact CB-CB 4.44Å; H142-V373 PolarHBondContact N-O 2.87Å; H142-V373 PolarHBondContact O-N 3.39Å; H142-M375 HydrophobicContact CB-CG 4.27Å; H142-M375 HydrophobicContact CB-SD 4.11Å
143I94.3Very high84.8Confident0 Ų047.4 Ų47.40%024%0.235CC..EExtended strand (participates in β ladder)trans-91136.6177.7-62.2-172.8000109.2I141 F181 C268 V270 F342 Y344 F366 A372I141-I143 PolarHBondContact O-N 3.12Å; I143-F181 HydrophobicContact CD1-CE1 3.88Å; I143-F181 HydrophobicContact CD1-CZ 4.38Å; I143-C268 HydrophobicContact CB-CB 3.81Å; I143-C268 HydrophobicContact CG2-CB 4.17Å; I143-C268 PolarHBondContact N-O 3.33Å; I143-V270 HydrophobicContact CD1-CG2 3.74Å; I143-F342 HydrophobicContact CD1-CE1 3.68Å; I143-F342 HydrophobicContact CD1-CE2 4.28Å; I143-F342 HydrophobicContact CD1-CZ 3.51Å; I143-F342 HydrophobicContact CG2-CD1 4.44Å; I143-F342 HydrophobicContact CG2-CE1 4.2Å; I143-Y344 HydrophobicContact CD1-CD2 4.31Å; I143-Y344 HydrophobicContact CD1-CE2 3.96Å; I143-Y344 HydrophobicContact CG1-CE2 4.03Å; I143-Y344 HydrophobicContact CG2-CE2 4.1Å; I143-F366 HydrophobicContact CG2-CE1 4.47Å; I143-A372 HydrophobicContact CG1-CB 4.48Å
144P92.6Very high84.7Confident7 Ų747.4 Ų47.45%0.04524%0.235CC..PPolyproline II helixtrans-62157.8179.4-21.434.2000112.4L146 Y344 F366 T369 H371P144-L146 PolarHBondContact O-N 2.94Å; P144-L146 VanDerWaalsContact O-N 3.13Å; P144-Y344 WeakPolarHBondContact CD-OH 3.47Å; P144-F366 HydrophobicContact CB-CD1 3.96Å; P144-F366 HydrophobicContact CB-CE1 4.09Å; P144-F366 HydrophobicContact CG-CD1 4.45Å; P144-F366 HydrophobicContact CG-CE1 4.26Å; P144-T369 VanDerWaalsContact CB-O 3.25Å; P144-T369 WeakPolarHBondContact CB-O 3.3Å; P144-H371 WeakPolarHBondContact CG-O 3.15Å
145P91.1Very high85.2Confident45 Ų4546.6 Ų46.629%0.29223%0.229SC..PPolyproline II helixtrans-55119.6-176.8-28.136000113.3Y265 D266P145-Y265 WeakPolarHBondContact CA-O 3.3Å; P145-D266 HydrophobicContact CB-CB 4.04Å; P145-D266 HydrophobicContact CG-CB 4.08Å
146L89.9Confident85.9Confident0 Ų045.6 Ų45.60%022%0.218CC..BIsolated β-bridgetrans-84132.1176.1-63.4174.1000110P144 W149 Y265 L291 V341 F366P144-L146 PolarHBondContact O-N 2.94Å; P144-L146 VanDerWaalsContact O-N 3.13Å; L146-W149 HydrophobicContact CD1-CD2 4.45Å; L146-W149 HydrophobicContact CD1-CE3 3.89Å; L146-W149 HydrophobicContact CD1-CZ3 4.28Å; L146-Y265 PolarHBondContact N-O 3.49Å; L146-Y265 PolarHBondContact O-N 2.97Å; L146-L291 HydrophobicContact CD1-CD2 4.08Å; L146-V341 HydrophobicContact CD2-CG1 3.9Å; L146-F366 HydrophobicContact CD2-CD1 3.99Å; L146-F366 HydrophobicContact CD2-CE1 3.41Å; L146-F366 VanDerWaalsContact CD2-CE1 3.41Å; L146-F366 HydrophobicContact CD2-CE2 4.28Å; L146-F366 HydrophobicContact CD2-CZ 3.59Å
147S82.2Confident86.6Confident26 Ų2640.6 Ų40.618%0.18220%0.195CC..  trans-121.3151.8175.767.30000108.9W149 H365S147-W149 PolarHBondContact O-N 2.85Å; S147-W149 VanDerWaalsContact O-N 3.14Å; S147-H365 WeakPolarHBondContact CA-O 3.44Å; S147-H365 PolarHBondContact N-O 3.49Å; S147-H365 CarbonylContact O-C 3.59Å; S147-H365 WeakPolarHBondContact O-CA 3.49Å; S147-H365 PolarHBondContact OG-O 2.82Å
148R78.6Confident87.5Confident183 Ų18337.8 Ų37.869%0.69118%0.177SC*.SBendtrans56.629.1-179.1-50.2174.5176.5179.1-1.5113.6
149W85.2Confident88.5Confident8 Ų834.2 Ų34.23%0.0316%0.158CC..  trans-147.1142.8174.1-179.792.2000109.4L146 S147 W155 F181 Y265 L291L146-W149 HydrophobicContact CD1-CD2 4.45Å; L146-W149 HydrophobicContact CD1-CE3 3.89Å; L146-W149 HydrophobicContact CD1-CZ3 4.28Å; S147-W149 PolarHBondContact O-N 2.85Å; S147-W149 VanDerWaalsContact O-N 3.14Å; W149-W155 HydrophobicContact CZ2-CB 3.71Å; W149-W155 AromaticContact CZ2-CD1 3.93Å; W149-W155 AromaticContact CZ2-CD2 3.98Å; W149-W155 HydrophobicContact CZ2-CD2 3.98Å; W149-W155 AromaticContact CZ2-CG 3.6Å; W149-W155 HydrophobicContact CZ2-CG 3.6Å; W149-F181 HydrophobicContact CH2-CB 4.35Å; W149-F181 AromaticContact CH2-CD2 3.87Å; W149-F181 HydrophobicContact CH2-CD2 3.87Å; W149-F181 HydrophobicContact CH2-CG 4.47Å; W149-F181 HydrophobicContact CZ3-CB 4.09Å; W149-F181 HydrophobicContact CZ3-CD2 4.31Å; W149-F181 HydrophobicContact CZ3-CG 4.49Å; W149-Y265 HydrophobicContact CZ3-CD1 4.21Å; W149-Y265 HydrophobicContact CZ3-CE1 4.26Å; W149-Y265 VanDerWaalsContact O-CD2 3.31Å; W149-Y265 WeakPolarHBondContact O-CD2 3.31Å; W149-Y265 WeakPolarHBondContact O-CE2 3.49Å; W149-L291 HydrophobicContact CD2-CD2 4.36Å; W149-L291 HydrophobicContact CH2-CD2 4.37Å; W149-L291 HydrophobicContact CZ2-CD1 3.85Å; W149-L291 HydrophobicContact CZ2-CD2 3.97Å; W149-L291 HydrophobicContact CZ2-CG 4.37Å
150P75.6Confident89.1Confident18 Ų1835.7 Ų35.712%0.11716%0.163CC..SBendcis-74162.9-8.632.3-34000112.1Y265P150-Y265 VanDerWaalsContact CD-CE2 3.44Å; P150-Y265 VanDerWaalsContact CD-CZ 3.47Å; P150-Y265 WeakPolarHBondContact CD-OH 3.49Å
151Y70Confident89.3Confident165 Ų16535.7 Ų35.765%0.64716%0.163SC*.BIsolated β-bridgetrans-125.2-178.6174.8-143.1-106.2000110.1N153 G154Y151-N153 PolarHBondContact O-N 2.86Å; Y151-G154 PolarHBondContact O-N 2.81Å
152Q75.6Confident89.2Confident106 Ų10636.2 Ų36.250%0.49517%0.165SC..THydrogen-bonded Turntrans-65.7-5-174-63.3-174.911.300115.3G154 F233Q152-G154 VanDerWaalsContact C-N 3.26Å; Q152-G154 PolarHBondContact O-N 3.19Å; Q152-F233 HydrophobicContact CB-CD1 3.88Å; Q152-F233 HydrophobicContact CB-CE1 4.04Å; Q152-F233 HydrophobicContact CG-CD1 4.17Å; Q152-F233 HydrophobicContact CG-CE1 3.87Å; Q152-F233 WeakPolarHBondContact O-CD1 3.41Å
153N83.4Confident88.9Confident93 Ų9333.5 Ų33.550%0.49715%0.153SC..THydrogen-bonded Turntrans-83.50179-6210.2000113.3Y151 E294 T295Y151-N153 PolarHBondContact O-N 2.86Å; N153-E294 HydrophobicContact CB-CG 4.2Å; N153-T295 PolarHBondContact O-N 3.29Å; N153-T295 PolarHBondContact O-OG1 2.77Å
154G89.7Confident88.5Confident0 Ų033.5 Ų33.50%015%0.153CC..BIsolated β-bridgetrans81.7-160.5-171.100000112.2Y151 Q152 Y231 S293Y151-G154 PolarHBondContact O-N 2.81Å; Q152-G154 VanDerWaalsContact C-N 3.26Å; Q152-G154 PolarHBondContact O-N 3.19Å; G154-Y231 CarbonylContact C-O 3.56Å; G154-Y231 WeakPolarHBondContact CA-O 3.43Å; G154-S293 CarbonylContact O-C 3.58Å; G154-S293 VanDerWaalsContact O-O 3.13Å
155W93.7Very high87.9Confident1 Ų133.7 Ų33.70%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-162159.5174.654.2-98.7000110.8W149 F157 F179 H189 Y231 F292 E294W149-W155 HydrophobicContact CZ2-CB 3.71Å; W149-W155 AromaticContact CZ2-CD1 3.93Å; W149-W155 AromaticContact CZ2-CD2 3.98Å; W149-W155 HydrophobicContact CZ2-CD2 3.98Å; W149-W155 AromaticContact CZ2-CG 3.6Å; W149-W155 HydrophobicContact CZ2-CG 3.6Å; W155-F157 HydrophobicContact CZ3-CB 4.24Å; W155-F179 HydrophobicContact CH2-CZ 4.11Å; W155-F179 HydrophobicContact CZ3-CZ 4.32Å; W155-H189 AromaticContact CE2-CD2 3.96Å; W155-H189 HydrophobicContact CZ2-CB 4.04Å; W155-H189 AromaticContact CZ2-CD2 3.95Å; W155-H189 AromaticContact CZ2-CG 3.77Å; W155-H189 AromaticContact NE1-CD2 3.55Å; W155-H189 AromaticContact NE1-NE2 3.52Å; W155-Y231 AromaticContact CD1-CD1 3.51Å; W155-Y231 AromaticContact CE2-CD1 3.98Å; W155-Y231 AromaticContact CE2-CG 3.96Å; W155-Y231 HydrophobicContact CG-CD1 4.28Å; W155-Y231 HydrophobicContact CZ2-CG 4.29Å; W155-Y231 PolarHBondContact N-O 3.24Å; W155-Y231 AromaticContact NE1-CD1 3.3Å; W155-Y231 VanDerWaalsContact NE1-CD1 3.3Å; W155-Y231 AromaticContact NE1-CG 3.74Å; W155-Y231 PolarHBondContact O-N 3.31Å; W155-F292 WeakPolarHBondContact CA-O 3.44Å; W155-F292 WeakPolarHBondContact CB-O 3.44Å; W155-E294 CarbonylContact C-O 3.55Å; W155-E294 VanDerWaalsContact C-O 3.25Å
156S96.7Very high86.9Confident0 Ų035.4 Ų35.40%016%0.158CC..EExtended strand (participates in β ladder)trans-137.1129.6174-50.60000112.7L229 A230 L291 F292 E294 T295 L296S156-L229 CarbonylContact C-O 3.52Å; S156-L229 WeakPolarHBondContact CA-O 3.38Å; S156-A230 WeakPolarHBondContact OG-CB 3.32Å; S156-L291 CarbonylContact O-C 3.59Å; S156-L291 WeakPolarHBondContact O-CA 3.46Å; S156-F292 PolarHBondContact N-O 3.49Å; S156-F292 PolarHBondContact O-N 3.28Å; S156-E294 PolarHBondContact N-O 2.94Å; S156-E294 PolarHBondContact OG-O 3.12Å; S156-T295 WeakPolarHBondContact OG-CA 3.25Å; S156-L296 PolarHBondContact OG-N 3.39Å
157F97.5Very high85.7Confident0 Ų037.6 Ų37.60%017%0.172CC..EExtended strand (participates in β ladder)trans-106.1130.1171.9178.9-97000109.7W155 T159 L178 F179 F181 A228 L229 V270 L289 Y290 L291W155-F157 HydrophobicContact CZ3-CB 4.24Å; F157-T159 HydrophobicContact CE1-CG2 3.82Å; F157-T159 HydrophobicContact CZ-CG2 4.18Å; F157-L178 HydrophobicContact CE1-CD2 4.08Å; F157-L178 HydrophobicContact CE1-CG 4.16Å; F157-F179 HydrophobicContact CB-CE1 4.28Å; F157-F179 AromaticContact CD1-CD1 3.84Å; F157-F179 HydrophobicContact CD1-CD1 3.84Å; F157-F179 AromaticContact CD1-CE1 3.85Å; F157-F179 HydrophobicContact CD1-CE1 3.85Å; F157-F179 HydrophobicContact CD2-CD1 4.39Å; F157-F179 AromaticContact CE1-CD1 3.9Å; F157-F179 HydrophobicContact CE1-CD1 3.9Å; F157-F179 HydrophobicContact CE1-CE1 4.35Å; F157-F179 HydrophobicContact CE2-CD1 4.44Å; F157-F179 HydrophobicContact CG-CD1 4.09Å; F157-F179 HydrophobicContact CG-CE1 4.02Å; F157-F179 HydrophobicContact CZ-CD1 4.2Å; F157-F181 HydrophobicContact CD2-CE2 4.15Å; F157-F181 HydrophobicContact CD2-CZ 4.16Å; F157-F181 HydrophobicContact CE2-CZ 4.15Å; F157-A228 WeakPolarHBondContact O-CA 3.26Å; F157-L229 PolarHBondContact N-O 3.41Å; F157-L229 PolarHBondContact O-N 3.46Å; F157-V270 HydrophobicContact CE2-CG2 4.38Å; F157-L289 HydrophobicContact CZ-CD2 4.13Å; F157-Y290 WeakPolarHBondContact CA-O 3.29Å; F157-L291 HydrophobicContact CB-CD1 4.26Å; F157-L291 HydrophobicContact CD2-CD1 4.47Å
158V98.2Very high84.7Confident2 Ų239.5 Ų39.51%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-135.6131.6-176.9-171.20000110.9H226 V227 A228 Y290 F292 L296 L304V158-H226 VanDerWaalsContact CG1-NE2 3.25Å; V158-H226 WeakPolarHBondContact CG1-NE2 3.34Å; V158-V227 WeakPolarHBondContact CA-O 3.39Å; V158-A228 HydrophobicContact CB-CB 4.42Å; V158-A228 HydrophobicContact CG1-CB 4.12Å; V158-A228 HydrophobicContact CG2-CB 3.77Å; V158-Y290 PolarHBondContact N-O 3.44Å; V158-Y290 PolarHBondContact O-N 3.47Å; V158-F292 HydrophobicContact CB-CE2 4.31Å; V158-F292 HydrophobicContact CG2-CD2 4.2Å; V158-F292 HydrophobicContact CG2-CE2 3.83Å; V158-L296 HydrophobicContact CG2-CD1 3.81Å; V158-L304 HydrophobicContact CG1-CD1 4.41Å; V158-L304 HydrophobicContact CG2-CD1 4.35Å
159T97.9Very high83.8Confident2 Ų233.2 Ų33.21%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-158.8166.1170.6-166.50000111.5F157 V227 L286 A288 L289F157-T159 HydrophobicContact CE1-CG2 3.82Å; F157-T159 HydrophobicContact CZ-CG2 4.18Å; T159-V227 PolarHBondContact N-O 3.06Å; T159-V227 PolarHBondContact O-N 3.42Å; T159-L286 HydrophobicContact CG2-CD2 4.35Å; T159-A288 WeakPolarHBondContact CB-O 3.42Å; T159-A288 PolarHBondContact OG1-O 2.94Å; T159-L289 HydrophobicContact CG2-CD2 4.34Å
160W97.9Very high82.5Confident31 Ų3137 Ų3712%0.11720%0.198CC..EExtended strand (participates in β ladder)trans-95.1130.8161.2-6678.1000108.7W224 Y225 H226 L286 S287 Y305 G308 P309W160-W224 HydrophobicContact CB-CE3 4.12Å; W160-W224 HydrophobicContact CB-CZ3 4.27Å; W160-Y225 CarbonylContact C-O 3.56Å; W160-Y225 WeakPolarHBondContact CA-O 3.39Å; W160-H226 AromaticContact CD1-CD2 3.79Å; W160-H226 HydrophobicContact CD2-CB 3.7Å; W160-H226 AromaticContact CE2-CD2 3.67Å; W160-H226 AromaticContact CE2-CG 3.95Å; W160-H226 HydrophobicContact CE3-CB 3.76Å; W160-H226 HydrophobicContact CG-CB 4.41Å; W160-H226 HydrophobicContact CH2-CB 3.86Å; W160-H226 HydrophobicContact CZ2-CB 3.78Å; W160-H226 HydrophobicContact CZ3-CB 3.84Å; W160-H226 AromaticContact NE1-CD2 3.43Å; W160-H226 PolarHBondContact NE1-CD2 2.78Å; W160-L286 WeakPolarHBondContact O-CA 3.39Å; W160-S287 PolarHBondContact O-N 3.02Å; W160-Y305 AromaticContact CH2-CD2 3.6Å; W160-Y305 HydrophobicContact CH2-CD2 3.6Å; W160-Y305 AromaticContact CH2-CE2 3.5Å; W160-Y305 HydrophobicContact CH2-CE2 3.5Å; W160-Y305 VanDerWaalsContact CH2-CE2 3.5Å; W160-Y305 AromaticContact CZ2-CD2 3.85Å; W160-Y305 HydrophobicContact CZ2-CD2 3.85Å; W160-Y305 HydrophobicContact CZ2-CE2 4.23Å; W160-Y305 HydrophobicContact CZ3-CD2 4.48Å; W160-Y305 HydrophobicContact CZ3-CE2 4.17Å; W160-G308 PolarHBondContact NE1-O 3.35Å; W160-P309 HydrophobicContact CD2-CB 3.7Å; W160-P309 HydrophobicContact CE3-CB 4.02Å; W160-P309 HydrophobicContact CG-CB 3.94Å; W160-P309 HydrophobicContact CZ2-CB 4.38Å; W160-P309 HydrophobicContact CZ3-CB 4.48Å
161L95.9Very high81.9Confident0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-128.3153.9-179.970.985000112.5L163 L178 F193 M198 F219 W224 Y225 V227 Q285 L286L161-L163 HydrophobicContact CD1-CG 4.42Å; L161-L178 HydrophobicContact CD2-CD1 4Å; L161-L178 HydrophobicContact CD2-CD2 3.9Å; L161-F193 HydrophobicContact CD1-CZ 4.11Å; L161-F193 HydrophobicContact CD2-CZ 4.04Å; L161-M198 HydrophobicContact CD2-CE 4.01Å; L161-F219 HydrophobicContact CD1-CD1 4.37Å; L161-W224 VanDerWaalsContact C-CE3 3.49Å; L161-W224 WeakPolarHBondContact O-CA 3.22Å; L161-Y225 PolarHBondContact N-O 3.33Å; L161-Y225 PolarHBondContact O-N 2.72Å; L161-V227 HydrophobicContact CD2-CB 4.16Å; L161-V227 HydrophobicContact CD2-CG2 3.74Å; L161-V227 HydrophobicContact CG-CG2 4.1Å; L161-Q285 WeakPolarHBondContact CA-O 3.46Å; L161-L286 HydrophobicContact CB-CD2 3.47Å; L161-L286 VanDerWaalsContact CB-CD2 3.47Å
162R93Very high81.5Confident13 Ų1337.1 Ų37.15%0.04920%0.203CC..EExtended strand (participates in β ladder)trans-144.7115.3173172.8170.5-175.9-88.4-1.4109.6N43 D164 R222 K223 W224 G284 Q285N43-R162 PolarHBondContact ND2-NH1 3.31Å; N43-R162 PolarHBondContact OD1-NH1 3.2Å; N43-R162 PolarHBondContact OD1-NH2 2.93Å; R162-D164 IonicContact NH1-OD2 2.88Å; R162-R222 VanDerWaalsContact NE-C 3.26Å; R162-R222 PolarHBondContact NE-O 3.42Å; R162-R222 PolarHBondContact NH2-O 2.81Å; R162-R222 VanDerWaalsContact NH2-O 3.08Å; R162-K223 WeakPolarHBondContact CA-O 3.27Å; R162-W224 HydrophobicContact CB-CD2 3.61Å; R162-W224 HydrophobicContact CB-CE3 3.67Å; R162-W224 HydrophobicContact CB-CG 4.15Å; R162-W224 HydrophobicContact CB-CH2 4.22Å; R162-W224 HydrophobicContact CB-CZ2 4.14Å; R162-W224 HydrophobicContact CB-CZ3 3.98Å; R162-W224 HydrophobicContact CG-CD2 4.43Å; R162-G284 CarbonylContact O-C 3.28Å; R162-G284 VanDerWaalsContact O-CA 3.27Å; R162-G284 WeakPolarHBondContact O-CA 3.19Å; R162-Q285 HydrophobicContact CB-CB 4.36Å; R162-Q285 PolarHBondContact N-O 3.04Å; R162-Q285 PolarHBondContact O-N 2.94Å
163L89.1Confident81.1Confident3 Ų338.7 Ų38.72%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-74.3127.1176.3-68161000109.7L161 F171 F193 F219 L221 R222 F282L161-L163 HydrophobicContact CD1-CG 4.42Å; L163-F171 HydrophobicContact CD1-CZ 4.03Å; L163-F171 HydrophobicContact CD2-CE2 4.34Å; L163-F171 HydrophobicContact CD2-CZ 4.3Å; L163-F193 HydrophobicContact CD1-CD1 4Å; L163-F193 HydrophobicContact CD1-CE1 3.85Å; L163-F193 HydrophobicContact CD1-CZ 4.22Å; L163-F193 HydrophobicContact CD2-CD2 4.01Å; L163-F193 HydrophobicContact CD2-CE2 3.97Å; L163-F193 HydrophobicContact CD2-CG 4.31Å; L163-F193 HydrophobicContact CD2-CZ 4.21Å; L163-F193 HydrophobicContact CG-CZ 4.45Å; L163-F219 HydrophobicContact CD1-CB 3.91Å; L163-L221 HydrophobicContact CB-CD2 3.7Å; L163-L221 HydrophobicContact CD1-CD2 4.31Å; L163-R222 WeakPolarHBondContact O-CA 3.42Å; L163-R222 PolarHBondContact O-N 2.93Å; L163-F282 HydrophobicContact CD2-CD2 4.22Å; L163-F282 HydrophobicContact CD2-CE2 3.5Å; L163-F282 VanDerWaalsContact CD2-CE2 3.5Å; L163-F282 HydrophobicContact CD2-CZ 4.03Å; L163-F282 HydrophobicContact CG-CE2 4.47Å
164D84.8Confident80.7Confident1 Ų136.2 Ų36.21%0.00520%0.197CC..  trans-141.672174.9-167.26.8000110.5S42 R44 R162 R222 S283S42-D164 PolarHBondContact OG-OD2 3.3Å; R44-D164 PolarHBondContact NH2-O 3Å; R162-D164 IonicContact NH1-OD2 2.88Å; D164-R222 HydrophobicContact CB-CG 4.29Å; D164-R222 WeakPolarHBondContact OD1-CG 3.5Å; D164-R222 IonicContact OD1-CZ 3.11Å; D164-R222 IonicContact OD1-NE 2.71Å; D164-R222 PolarHBondContact OD1-NE 3.14Å; D164-R222 IonicContact OD1-NH2 2.74Å; D164-R222 PolarHBondContact OD1-NH2 2.97Å; D164-S283 CarbonylContact C-O 3.55Å; D164-S283 PolarHBondContact N-O 3.47Å
165P79.4Confident80.4Confident11 Ų1140 Ų407%0.07122%0.216CC..  trans-69149.9178.829.7-35.3000111.9F171 L221 R222P165-F171 HydrophobicContact CB-CD2 4.06Å; P165-F171 HydrophobicContact CG-CD2 3.99Å; P165-F171 HydrophobicContact CG-CE2 4.5Å; P165-F171 HydrophobicContact CG-CG 4.28Å; P165-L221 HydrophobicContact CG-CD1 3.88Å; P165-L221 HydrophobicContact CG-CD2 3.95Å; P165-R222 PolarHBondContact O-NH2 2.81Å
166E70.5Confident80.2Confident81 Ų8140.3 Ų40.338%0.37922%0.217SC..SBendtrans-70.2-35.2-173.4-62-162.316600113.7I6 R44 H136I6-E166 HydrophobicContact CD1-CB 3.82Å; I6-E166 HydrophobicContact CD1-CG 3.92Å; R44-E166 IonicContact CZ-OE1 2.57Å; R44-E166 IonicContact NH1-OE1 3.31Å; R44-E166 PolarHBondContact NH1-OE1 2.79Å; H136-E166 IonicContact CE1-OE1 3.21Å
167T65.5Low79.9Confident46 Ų4641.4 Ų41.428%0.28222%0.222SC..  trans-132.9134.3174.648.50000109.6N3 G169N3-T167 HydrophobicContact CB-CG2 4.31Å; T167-G169 VanDerWaalsContact C-N 3.29Å; T167-G169 PolarHBondContact O-N 3.22Å
168S61.5Low79.8Confident65 Ų6541.4 Ų41.446%0.45522%0.222SC..G310 helixtrans-63.3-36.1-177.8-34.50000112.4N170S168-N170 PolarHBondContact O-N 3.2Å
169G59.3Low79.7Confident52 Ų5241.3 Ų41.354%0.53622%0.221SC..G310 helixtrans-73.8-19.7-171.400000115.5T167T167-G169 VanDerWaalsContact C-N 3.29Å; T167-G169 PolarHBondContact O-N 3.22Å
170N57.6Low79.4Confident86 Ų8641.2 Ų41.246%0.4622%0.221SC..G310 helixtrans-87.3-14.8179.9-6913.8000112.8S168 E172 E173 D174S168-N170 PolarHBondContact O-N 3.2Å; N170-E172 PolarHBondContact O-N 3.49Å; N170-E172 VanDerWaalsContact O-N 3.12Å; N170-E173 PolarHBondContact O-N 3.35Å; N170-D174 PolarHBondContact O-N 2.94Å; N170-D174 VanDerWaalsContact O-N 3.09Å
171F62Low79.2Confident19 Ų1939.7 Ų39.78%0.08322%0.215CC..THydrogen-bonded Turntrans-68.3-13.3-170.3-169.6-114.8000114.4L163 P165 P176 G195 L221L163-F171 HydrophobicContact CD1-CZ 4.03Å; L163-F171 HydrophobicContact CD2-CE2 4.34Å; L163-F171 HydrophobicContact CD2-CZ 4.3Å; P165-F171 HydrophobicContact CB-CD2 4.06Å; P165-F171 HydrophobicContact CG-CD2 3.99Å; P165-F171 HydrophobicContact CG-CE2 4.5Å; P165-F171 HydrophobicContact CG-CG 4.28Å; F171-P176 HydrophobicContact CE2-CG 4.1Å; F171-G195 WeakPolarHBondContact CE1-O 3.28Å; F171-G195 VanDerWaalsContact CZ-O 3.25Å; F171-G195 WeakPolarHBondContact CZ-O 3.34Å; F171-G195 WeakPolarHBondContact O-CA 3.35Å; F171-G195 PolarHBondContact O-N 3.39Å; F171-L221 HydrophobicContact CD1-CD1 4.48Å; F171-L221 HydrophobicContact CD1-CD2 4.12Å; F171-L221 HydrophobicContact CE1-CD2 3.68Å; F171-L221 HydrophobicContact CE2-CD2 4.35Å; F171-L221 HydrophobicContact CZ-CD2 3.83Å
172E62.2Low79Confident167 Ų16740.8 Ų40.878%0.7822%0.219SC*.THydrogen-bonded Turntrans-83.9-26.8171-65.2-173.4166.800113.2N170N170-E172 PolarHBondContact O-N 3.49Å; N170-E172 VanDerWaalsContact O-N 3.12Å
173E67.3Low78.8Confident139 Ų13940.1 Ų40.165%0.6522%0.217SC*.THydrogen-bonded Turntrans-91.7-27.3177.9-69.8-165.9165.600113.6N170 K279N170-E173 PolarHBondContact O-N 3.35Å; E173-K279 IonicContact OE2-NZ 2.76Å; E173-K279 PolarHBondContact OE2-NZ 3.48Å
174D74.5Confident78.7Confident41 Ų4148 Ų4822%0.21925%0.246CC..  trans-78.3147-178.4-66.8-29.3000111.5N170 P176 K279N170-D174 PolarHBondContact O-N 2.94Å; N170-D174 VanDerWaalsContact O-N 3.09Å; D174-P176 VanDerWaalsContact O-CD 3.24Å; D174-P176 WeakPolarHBondContact O-CD 3.35Å; D174-K279 WeakPolarHBondContact OD1-CB 3.31Å; D174-K279 VanDerWaalsContact OD1-CD 3.32Å; D174-K279 WeakPolarHBondContact OD1-CD 3.49Å; D174-K279 VanDerWaalsContact OD1-CG 3.24Å; D174-K279 WeakPolarHBondContact OD1-CG 3.34Å
175M84.7Confident78.7Confident81 Ų8148.6 Ų48.640%0.39925%0.25SS..  trans-117.467.3175.3-72.8-165.2173.600111.1Y177 V194 K279 N280M175-Y177 WeakPolarHBondContact O-CD2 3.39Å; M175-Y177 PolarHBondContact O-N 3.36Å; M175-V194 HydrophobicContact CE-CG2 4.04Å; M175-V194 HydrophobicContact CG-CG2 4.37Å; M175-K279 PolarHBondContact N-O 3.35Å; M175-N280 WeakPolarHBondContact O-CA 3.4Å
176P88.2Confident78.9Confident6 Ų649.3 Ų49.34%0.03926%0.259CS..  trans-65.6118.2-175.925-32.6000111.5F171 D174 L178 H192 F193 F282F171-P176 HydrophobicContact CE2-CG 4.1Å; D174-P176 VanDerWaalsContact O-CD 3.24Å; D174-P176 WeakPolarHBondContact O-CD 3.35Å; P176-L178 PolarHBondContact O-N 3.39Å; P176-H192 CarbonylContact O-C 3.56Å; P176-H192 VanDerWaalsContact O-CA 3.27Å; P176-H192 WeakPolarHBondContact O-CA 3.4Å; P176-F193 HydrophobicContact CG-CB 4.12Å; P176-F193 PolarHBondContact O-N 3.11Å; P176-F282 HydrophobicContact CB-CB 4.45Å; P176-F282 HydrophobicContact CB-CD2 4.5Å
177Y91.9Very high79.7Confident23 Ų2347.2 Ų47.29%0.0925%0.249CC..EExtended strand (participates in β ladder)trans-77.8118.5-180-83.1-104.4000111.8M175 R182 C191 H192 G271 N280M175-Y177 WeakPolarHBondContact O-CD2 3.39Å; M175-Y177 PolarHBondContact O-N 3.36Å; Y177-R182 PolarHBondContact OH-NH2 3.01Å; Y177-R182 VanDerWaalsContact OH-NH2 3.14Å; Y177-C191 CarbonylContact C-O 3.51Å; Y177-H192 HydrophobicContact CD1-CB 4.21Å; Y177-H192 HydrophobicContact CD2-CB 4.12Å; Y177-H192 HydrophobicContact CE1-CB 4.44Å; Y177-H192 HydrophobicContact CE2-CB 4.33Å; Y177-H192 HydrophobicContact CG-CB 4.06Å; Y177-G271 CarbonylContact O-C 3.09Å; Y177-G271 WeakPolarHBondContact O-CA 3.14Å; Y177-G271 PolarHBondContact O-N 3.27Å; Y177-N280 HydrophobicContact CD2-CB 4.01Å; Y177-N280 WeakPolarHBondContact CD2-O 3.11Å; Y177-N280 HydrophobicContact CE2-CB 4.21Å; Y177-N280 PolarHBondContact N-O 2.54Å
178L94.6Very high80.8Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-65.2-47.2164.5-179.759.8000110.1F157 L161 P176 C191 F193 M198 V270 G271 F282 L286F157-L178 HydrophobicContact CE1-CD2 4.08Å; F157-L178 HydrophobicContact CE1-CG 4.16Å; L161-L178 HydrophobicContact CD2-CD1 4Å; L161-L178 HydrophobicContact CD2-CD2 3.9Å; P176-L178 PolarHBondContact O-N 3.39Å; L178-C191 HydrophobicContact CB-CB 4.34Å; L178-C191 PolarHBondContact N-O 3.28Å; L178-F193 HydrophobicContact CB-CE2 4.13Å; L178-M198 HydrophobicContact CD2-CE 4.06Å; L178-M198 HydrophobicContact CD2-SD 4.45Å; L178-V270 WeakPolarHBondContact O-CA 3.5Å; L178-V270 WeakPolarHBondContact O-CG1 3.23Å; L178-G271 PolarHBondContact O-N 3.02Å; L178-F282 HydrophobicContact CD1-CE2 4.47Å; L178-L286 HydrophobicContact CD1-CD1 4.45Å; L178-L286 HydrophobicContact CD1-CD2 3.76Å
179F95.5Very high82.2Confident0 Ų042.2 Ų42.20%022%0.215CC..EExtended strand (participates in β ladder)trans-153.3154.3170.968.7-102000112.7W155 F157 F181 H189 S190 C191 L200 L229 F269 V270W155-F179 HydrophobicContact CH2-CZ 4.11Å; W155-F179 HydrophobicContact CZ3-CZ 4.32Å; F157-F179 HydrophobicContact CB-CE1 4.28Å; F157-F179 AromaticContact CD1-CD1 3.84Å; F157-F179 HydrophobicContact CD1-CD1 3.84Å; F157-F179 AromaticContact CD1-CE1 3.85Å; F157-F179 HydrophobicContact CD1-CE1 3.85Å; F157-F179 HydrophobicContact CD2-CD1 4.39Å; F157-F179 AromaticContact CE1-CD1 3.9Å; F157-F179 HydrophobicContact CE1-CD1 3.9Å; F157-F179 HydrophobicContact CE1-CE1 4.35Å; F157-F179 HydrophobicContact CE2-CD1 4.44Å; F157-F179 HydrophobicContact CG-CD1 4.09Å; F157-F179 HydrophobicContact CG-CE1 4.02Å; F157-F179 HydrophobicContact CZ-CD1 4.2Å; F179-F181 HydrophobicContact CB-CD1 4.47Å; F179-F181 HydrophobicContact CB-CE1 3.82Å; F179-F181 HydrophobicContact CB-CE2 4.12Å; F179-F181 HydrophobicContact CB-CZ 3.63Å; F179-F181 HydrophobicContact CD1-CE2 4.37Å; F179-F181 HydrophobicContact CD2-CD1 4.31Å; F179-F181 AromaticContact CD2-CD2 3.47Å; F179-F181 HydrophobicContact CD2-CD2 3.47Å; F179-F181 VanDerWaalsContact CD2-CD2 3.47Å; F179-F181 HydrophobicContact CD2-CE1 4.28Å; F179-F181 AromaticContact CD2-CE2 3.46Å; F179-F181 HydrophobicContact CD2-CE2 3.46Å; F179-F181 VanDerWaalsContact CD2-CE2 3.46Å; F179-F181 AromaticContact CD2-CG 3.91Å; F179-F181 HydrophobicContact CD2-CG 3.91Å; F179-F181 AromaticContact CD2-CZ 3.89Å; F179-F181 HydrophobicContact CD2-CZ 3.89Å; F179-F181 AromaticContact CE2-CD2 3.76Å; F179-F181 HydrophobicContact CE2-CD2 3.76Å; F179-F181 AromaticContact CE2-CE2 3.91Å; F179-F181 HydrophobicContact CE2-CE2 3.91Å; F179-F181 HydrophobicContact CE2-CG 4.47Å; F179-F181 HydrophobicContact CG-CD2 4.22Å; F179-F181 HydrophobicContact CG-CE1 4.32Å; F179-F181 AromaticContact CG-CE2 3.74Å; F179-F181 HydrophobicContact CG-CE2 3.74Å; F179-F181 AromaticContact CG-CZ 3.8Å; F179-F181 HydrophobicContact CG-CZ 3.8Å; F179-H189 HydrophobicContact CE2-CB 4.47Å; F179-S190 CarbonylContact O-C 3.54Å; F179-S190 VanDerWaalsContact O-CA 3.29Å; F179-S190 WeakPolarHBondContact O-CA 3.43Å; F179-S190 WeakPolarHBondContact O-CB 3.38Å; F179-C191 HydrophobicContact CD1-CB 3.66Å; F179-C191 HydrophobicContact CD2-CB 4.39Å; F179-C191 HydrophobicContact CE1-CB 3.34Å; F179-C191 HydrophobicContact CE2-CB 4.11Å; F179-C191 HydrophobicContact CG-CB 4.18Å; F179-C191 HydrophobicContact CZ-CB 3.59Å; F179-C191 PolarHBondContact N-O 3.45Å; F179-C191 VanDerWaalsContact N-O 3.09Å; F179-C191 PolarHBondContact O-N 2.67Å; F179-L200 HydrophobicContact CZ-CD2 4.49Å; F179-L229 HydrophobicContact CE1-CD1 4Å; F179-F269 CarbonylContact C-O 3.58Å; F179-F269 VanDerWaalsContact CA-O 3.31Å; F179-F269 WeakPolarHBondContact CA-O 3.5Å; F179-V270 HydrophobicContact CB-CG2 4.13Å
180S93.3Very high83.7Confident0 Ų039.7 Ų39.70%019%0.19CC..EExtended strand (participates in β ladder)trans-134.5106.2168.21700000108.9R267 C268 F269S180-R267 VanDerWaalsContact O-O 3.08Å; S180-C268 CarbonylContact O-C 2.96Å; S180-C268 WeakPolarHBondContact O-CA 3.15Å; S180-F269 PolarHBondContact N-O 3.45Å; S180-F269 PolarHBondContact O-N 3.37Å
181F93.4Very high85.5Confident0 Ų035.6 Ų35.60%017%0.168CC..EExtended strand (participates in β ladder)trans-107.594.1174.8-54.3-33.1000108.4I143 W149 F157 F179 G188 H189 Y265 C268 V270 L291 F342I143-F181 HydrophobicContact CD1-CE1 3.88Å; I143-F181 HydrophobicContact CD1-CZ 4.38Å; W149-F181 HydrophobicContact CH2-CB 4.35Å; W149-F181 AromaticContact CH2-CD2 3.87Å; W149-F181 HydrophobicContact CH2-CD2 3.87Å; W149-F181 HydrophobicContact CH2-CG 4.47Å; W149-F181 HydrophobicContact CZ3-CB 4.09Å; W149-F181 HydrophobicContact CZ3-CD2 4.31Å; W149-F181 HydrophobicContact CZ3-CG 4.49Å; F157-F181 HydrophobicContact CD2-CE2 4.15Å; F157-F181 HydrophobicContact CD2-CZ 4.16Å; F157-F181 HydrophobicContact CE2-CZ 4.15Å; F179-F181 HydrophobicContact CB-CD1 4.47Å; F179-F181 HydrophobicContact CB-CE1 3.82Å; F179-F181 HydrophobicContact CB-CE2 4.12Å; F179-F181 HydrophobicContact CB-CZ 3.63Å; F179-F181 HydrophobicContact CD1-CE2 4.37Å; F179-F181 HydrophobicContact CD2-CD1 4.31Å; F179-F181 AromaticContact CD2-CD2 3.47Å; F179-F181 HydrophobicContact CD2-CD2 3.47Å; F179-F181 VanDerWaalsContact CD2-CD2 3.47Å; F179-F181 HydrophobicContact CD2-CE1 4.28Å; F179-F181 AromaticContact CD2-CE2 3.46Å; F179-F181 HydrophobicContact CD2-CE2 3.46Å; F179-F181 VanDerWaalsContact CD2-CE2 3.46Å; F179-F181 AromaticContact CD2-CG 3.91Å; F179-F181 HydrophobicContact CD2-CG 3.91Å; F179-F181 AromaticContact CD2-CZ 3.89Å; F179-F181 HydrophobicContact CD2-CZ 3.89Å; F179-F181 AromaticContact CE2-CD2 3.76Å; F179-F181 HydrophobicContact CE2-CD2 3.76Å; F179-F181 AromaticContact CE2-CE2 3.91Å; F179-F181 HydrophobicContact CE2-CE2 3.91Å; F179-F181 HydrophobicContact CE2-CG 4.47Å; F179-F181 HydrophobicContact CG-CD2 4.22Å; F179-F181 HydrophobicContact CG-CE1 4.32Å; F179-F181 AromaticContact CG-CE2 3.74Å; F179-F181 HydrophobicContact CG-CE2 3.74Å; F179-F181 AromaticContact CG-CZ 3.8Å; F179-F181 HydrophobicContact CG-CZ 3.8Å; F181-G188 WeakPolarHBondContact O-CA 3.17Å; F181-H189 CarbonylContact C-O 3.57Å; F181-H189 PolarHBondContact N-O 2.79Å; F181-H189 PolarHBondContact O-N 3Å; F181-H189 VanDerWaalsContact O-O 3.11Å; F181-Y265 HydrophobicContact CB-CD1 4.32Å; F181-Y265 WeakPolarHBondContact O-CD1 3.38Å; F181-Y265 WeakPolarHBondContact O-CE1 3.39Å; F181-C268 HydrophobicContact CD1-CB 3.97Å; F181-V270 HydrophobicContact CE1-CG2 4.04Å; F181-V270 HydrophobicContact CZ-CG2 4.12Å; F181-L291 HydrophobicContact CE2-CD1 4.35Å; F181-F342 HydrophobicContact CZ-CZ 4.34Å
182R90.5Very high86.9Confident22 Ų2234.8 Ų34.88%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-127157.8-176.3-62178.1-174.6161.93.8112.1Y177 F187 S190 Y265 D266 R267 D275Y177-R182 PolarHBondContact OH-NH2 3.01Å; Y177-R182 VanDerWaalsContact OH-NH2 3.14Å; R182-F187 CarbonylContact C-O 3.46Å; R182-F187 WeakPolarHBondContact CA-O 3.33Å; R182-S190 PolarHBondContact NH2-OG 2.81Å; R182-Y265 CarbonylContact O-C 3.49Å; R182-D266 PolarHBondContact O-N 2.92Å; R182-R267 HydrophobicContact CB-CB 4.38Å; R182-R267 PolarHBondContact N-O 2.83Å; R182-R267 CarbonylContact O-C 3.04Å; R182-R267 WeakPolarHBondContact O-CA 3.47Å; R182-R267 WeakPolarHBondContact O-CB 3.38Å; R182-R267 PolarHBondContact O-N 2.74Å; R182-D275 IonicContact NH1-OD2 3.02Å; R182-D275 PolarHBondContact NH1-OD2 2.81Å
183T89.9Confident88.3Confident0 Ų026.9 Ų26.90%013%0.127CC..  trans-87.7170.3167.175.40000110.9S185 G186 F187 T261 E263 Q264 Y265T183-S185 PolarHBondContact O-N 3.48Å; T183-S185 PolarHBondContact OG1-OG 3.17Å; T183-S185 VanDerWaalsContact OG1-OG 3.07Å; T183-G186 WeakPolarHBondContact O-CA 3.2Å; T183-G186 PolarHBondContact O-N 3.02Å; T183-F187 HydrophobicContact CG2-CB 4.41Å; T183-F187 PolarHBondContact N-O 2.64Å; T183-T261 HydrophobicContact CG2-CG2 3.79Å; T183-E263 WeakPolarHBondContact CB-OE2 3.49Å; T183-E263 HydrophobicContact CG2-CB 3.94Å; T183-E263 PolarHBondContact OG1-OE2 2.89Å; T183-Q264 WeakPolarHBondContact CB-O 3.41Å; T183-Q264 WeakPolarHBondContact CG2-O 3.44Å; T183-Y265 HydrophobicContact CG2-CD1 4.29Å; T183-Y265 HydrophobicContact CG2-CD2 3.81Å; T183-Y265 HydrophobicContact CG2-CE1 4.45Å; T183-Y265 HydrophobicContact CG2-CE2 3.97Å; T183-Y265 HydrophobicContact CG2-CG 3.97Å
184R86.5Confident89.2Confident168 Ų16823 Ų2363%0.63411%0.113SC*.THydrogen-bonded Turntrans-55.8-30.9176.7-165.2173.1-62.4-157.1-2.3114.8G186 D266R184-G186 VanDerWaalsContact C-N 3.31Å; R184-D266 WeakPolarHBondContact CA-OD1 3.46Å; R184-D266 WeakPolarHBondContact CB-OD1 3.26Å; R184-D266 IonicContact CZ-OD2 3.27Å; R184-D266 VanDerWaalsContact CZ-OD2 3.27Å; R184-D266 PolarHBondContact N-OD1 3.48Å; R184-D266 IonicContact NE-OD2 2.91Å; R184-D266 PolarHBondContact NE-OD2 3.02Å; R184-D266 IonicContact NH2-OD2 2.75Å; R184-D266 PolarHBondContact NH2-OD2 3.29Å
185S84.9Confident89.5Confident14 Ų1421.6 Ų21.610%0.09811%0.108CC..THydrogen-bonded Turntrans-82.7-5.5174.762.60000114.1T183 F187 K206 E263T183-S185 PolarHBondContact O-N 3.48Å; T183-S185 PolarHBondContact OG1-OG 3.17Å; T183-S185 VanDerWaalsContact OG1-OG 3.07Å; S185-F187 WeakPolarHBondContact OG-CD2 3.16Å; S185-F187 WeakPolarHBondContact OG-CE2 3.44Å; S185-F187 WeakPolarHBondContact OG-CG 3.48Å; S185-F187 WeakPolarHBondContact OG-CZ 3.43Å; S185-K206 WeakPolarHBondContact O-CG 3.19Å; S185-E263 WeakPolarHBondContact CB-OE1 3.27Å; S185-E263 VanDerWaalsContact CB-OE2 3.29Å; S185-E263 WeakPolarHBondContact CB-OE2 3.2Å; S185-E263 PolarHBondContact N-OE2 3.35Å; S185-E263 PolarHBondContact OG-OE1 2.84Å; S185-E263 PolarHBondContact OG-OE2 2.81Å
186G82.6Confident89.3Confident25 Ų2518.7 Ų18.726%0.25810%0.099SC..SBendtrans94.13177.800000115.1T183 R184 N203T183-G186 WeakPolarHBondContact O-CA 3.2Å; T183-G186 PolarHBondContact O-N 3.02Å; R184-G186 VanDerWaalsContact C-N 3.31Å; G186-N203 WeakPolarHBondContact O-CB 3.49Å; G186-N203 PolarHBondContact O-ND2 2.93Å; G186-N203 VanDerWaalsContact O-ND2 3.13Å
187F87.6Confident89.3Confident38 Ų3820.3 Ų20.317%0.16711%0.11CC..  trans-67.9144.8172.5-49.5-33.1000110.6R182 T183 S185 N203 K204 K206 V259 T261R182-F187 CarbonylContact C-O 3.46Å; R182-F187 WeakPolarHBondContact CA-O 3.33Å; T183-F187 HydrophobicContact CG2-CB 4.41Å; T183-F187 PolarHBondContact N-O 2.64Å; S185-F187 WeakPolarHBondContact OG-CD2 3.16Å; S185-F187 WeakPolarHBondContact OG-CE2 3.44Å; S185-F187 WeakPolarHBondContact OG-CG 3.48Å; S185-F187 WeakPolarHBondContact OG-CZ 3.43Å; F187-N203 CarbonylContact C-O 3.45Å; F187-N203 VanDerWaalsContact CA-O 3.3Å; F187-N203 WeakPolarHBondContact CA-O 3.5Å; F187-K204 VanDerWaalsContact CD1-C 3.42Å; F187-K204 WeakPolarHBondContact CD1-O 3.46Å; F187-K204 VanDerWaalsContact CE1-O 3.29Å; F187-K204 WeakPolarHBondContact CE1-O 3.43Å; F187-K206 HydrophobicContact CE1-CB 4.24Å; F187-V259 HydrophobicContact CB-CG1 3.87Å; F187-T261 HydrophobicContact CD2-CG2 4.41Å
188G89.1Confident89.4Confident0 Ų019.2 Ų19.20%011%0.106CC..EExtended strand (participates in β ladder)trans143.8-159.6171.200000114.4F181 A202 N203F181-G188 WeakPolarHBondContact O-CA 3.17Å; G188-A202 WeakPolarHBondContact O-CA 3.29Å; G188-N203 PolarHBondContact N-O 2.84Å; G188-N203 PolarHBondContact O-N 3.46Å
189H90.5Very high89.3Confident5 Ų519.8 Ų19.82%0.02311%0.109CC..EExtended strand (participates in β ladder)trans-121137.6-177.4-62.4-72.9000110.4W155 F179 F181 T201W155-H189 AromaticContact CE2-CD2 3.96Å; W155-H189 HydrophobicContact CZ2-CB 4.04Å; W155-H189 AromaticContact CZ2-CD2 3.95Å; W155-H189 AromaticContact CZ2-CG 3.77Å; W155-H189 AromaticContact NE1-CD2 3.55Å; W155-H189 AromaticContact NE1-NE2 3.52Å; F179-H189 HydrophobicContact CE2-CB 4.47Å; F181-H189 CarbonylContact C-O 3.57Å; F181-H189 PolarHBondContact N-O 2.79Å; F181-H189 PolarHBondContact O-N 3Å; F181-H189 VanDerWaalsContact O-O 3.11Å; H189-T201 WeakPolarHBondContact CA-O 3.47Å
190S91.9Very high89.2Confident0 Ų020 Ų200%011%0.11CC..EExtended strand (participates in β ladder)trans-140.5151.4172.154.70000111.7F179 R182 T201F179-S190 CarbonylContact O-C 3.54Å; F179-S190 VanDerWaalsContact O-CA 3.29Å; F179-S190 WeakPolarHBondContact O-CA 3.43Å; F179-S190 WeakPolarHBondContact O-CB 3.38Å; R182-S190 PolarHBondContact NH2-OG 2.81Å; S190-T201 PolarHBondContact N-O 2.97Å; S190-T201 PolarHBondContact O-N 2.85Å
191C94.1Very high89.1Confident0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-128.5126.4178.2-173.30000108.8Y177 L178 F179 M198 V199 L200Y177-C191 CarbonylContact C-O 3.51Å; L178-C191 HydrophobicContact CB-CB 4.34Å; L178-C191 PolarHBondContact N-O 3.28Å; F179-C191 HydrophobicContact CD1-CB 3.66Å; F179-C191 HydrophobicContact CD2-CB 4.39Å; F179-C191 HydrophobicContact CE1-CB 3.34Å; F179-C191 HydrophobicContact CE2-CB 4.11Å; F179-C191 HydrophobicContact CG-CB 4.18Å; F179-C191 HydrophobicContact CZ-CB 3.59Å; F179-C191 PolarHBondContact N-O 3.45Å; F179-C191 VanDerWaalsContact N-O 3.09Å; F179-C191 PolarHBondContact O-N 2.67Å; C191-M198 WeakPolarHBondContact SG-CG 3.29Å; C191-V199 WeakPolarHBondContact CA-O 3.32Å; C191-L200 HydrophobicContact CB-CD2 4.06Å
192H92.3Very high88.9Confident2 Ų220.4 Ų20.41%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-136.5170177.961.9-71.5000109.8P176 Y177 V199 T201P176-H192 CarbonylContact O-C 3.56Å; P176-H192 VanDerWaalsContact O-CA 3.27Å; P176-H192 WeakPolarHBondContact O-CA 3.4Å; Y177-H192 HydrophobicContact CD1-CB 4.21Å; Y177-H192 HydrophobicContact CD2-CB 4.12Å; Y177-H192 HydrophobicContact CE1-CB 4.44Å; Y177-H192 HydrophobicContact CE2-CB 4.33Å; Y177-H192 HydrophobicContact CG-CB 4.06Å; H192-V199 PolarHBondContact N-O 2.88Å; H192-V199 PolarHBondContact ND1-O 2.62Å; H192-V199 PolarHBondContact O-N 3.2Å; H192-T201 PolarHBondContact CE1-OG1 3.01Å
193F91.2Very high88.7Confident0 Ų020.7 Ų20.70%012%0.116CC..EExtended strand (participates in β ladder)trans-103.8152.7168.9-60-100.3000110.6L161 L163 P176 L178 C197 M198 F219 F282L161-F193 HydrophobicContact CD1-CZ 4.11Å; L161-F193 HydrophobicContact CD2-CZ 4.04Å; L163-F193 HydrophobicContact CD1-CD1 4Å; L163-F193 HydrophobicContact CD1-CE1 3.85Å; L163-F193 HydrophobicContact CD1-CZ 4.22Å; L163-F193 HydrophobicContact CD2-CD2 4.01Å; L163-F193 HydrophobicContact CD2-CE2 3.97Å; L163-F193 HydrophobicContact CD2-CG 4.31Å; L163-F193 HydrophobicContact CD2-CZ 4.21Å; L163-F193 HydrophobicContact CG-CZ 4.45Å; P176-F193 HydrophobicContact CG-CB 4.12Å; P176-F193 PolarHBondContact O-N 3.11Å; L178-F193 HydrophobicContact CB-CE2 4.13Å; F193-C197 CarbonylContact C-O 3.57Å; F193-C197 VanDerWaalsContact CA-O 3.28Å; F193-C197 WeakPolarHBondContact CA-O 3.5Å; F193-M198 HydrophobicContact CD1-CB 4.09Å; F193-M198 HydrophobicContact CE1-CB 3.97Å; F193-M198 HydrophobicContact CE1-CE 3.61Å; F193-M198 HydrophobicContact CE1-CG 4.27Å; F193-M198 HydrophobicContact CE2-CE 4.35Å; F193-M198 HydrophobicContact CZ-CE 3.41Å; F193-M198 VanDerWaalsContact CZ-CE 3.41Å; F193-M198 HydrophobicContact CZ-CG 4.49Å; F193-F219 HydrophobicContact CD1-CD2 4.44Å; F193-F219 AromaticContact CE1-CD2 3.83Å; F193-F219 HydrophobicContact CE1-CD2 3.83Å; F193-F219 HydrophobicContact CE1-CE2 4.15Å; F193-F219 HydrophobicContact CE1-CG 4.1Å; F193-F282 HydrophobicContact CD2-CE2 4.39Å; F193-F282 HydrophobicContact CE2-CD2 4.27Å; F193-F282 AromaticContact CE2-CE2 3.8Å; F193-F282 HydrophobicContact CE2-CE2 3.8Å
194V85.8Confident88Confident58 Ų5826.6 Ų26.635%0.35214%0.141SC..EExtended strand (participates in β ladder)trans-133.7105.3168.5-179.70000105.5M175 C197 V199M175-V194 HydrophobicContact CE-CG2 4.04Å; M175-V194 HydrophobicContact CG-CG2 4.37Å; V194-C197 PolarHBondContact N-O 3.5Å; V194-C197 PolarHBondContact O-N 3.18Å; V194-V199 HydrophobicContact CB-CG2 4.23Å; V194-V199 HydrophobicContact CG2-CG2 3.86Å
195G80.1Confident87.3Confident12 Ų1221.3 Ų21.312%0.12413%0.13CC..THydrogen-bonded Turntrans53.1-144.1-161.100000111.6F171 C197F171-G195 WeakPolarHBondContact CE1-O 3.28Å; F171-G195 VanDerWaalsContact CZ-O 3.25Å; F171-G195 WeakPolarHBondContact CZ-O 3.34Å; F171-G195 WeakPolarHBondContact O-CA 3.35Å; F171-G195 PolarHBondContact O-N 3.39Å; G195-C197 PolarHBondContact O-N 3.42Å; G195-C197 VanDerWaalsContact O-N 3.1Å
196G81.5Confident86.3Confident19 Ų1928.6 Ų28.620%0.19616%0.16CC..THydrogen-bonded Turntrans-67.2-4.2-179.600000115.9F219G196-F219 WeakPolarHBondContact O-CD2 3.44Å; G196-F219 PolarHBondContact O-N 2.88Å
197C89.2Confident85.3Confident41 Ų4131.6 Ų31.628%0.27719%0.191SC..EExtended strand (participates in β ladder)trans-108.8143.8-171.2-68.60000112.6F193 V194 G195F193-C197 CarbonylContact C-O 3.57Å; F193-C197 VanDerWaalsContact CA-O 3.28Å; F193-C197 WeakPolarHBondContact CA-O 3.5Å; V194-C197 PolarHBondContact N-O 3.5Å; V194-C197 PolarHBondContact O-N 3.18Å; G195-C197 PolarHBondContact O-N 3.42Å; G195-C197 VanDerWaalsContact O-N 3.1Å
198M93.2Very high84.1Confident0 Ų031.8 Ų31.80%020%0.204CC..EExtended strand (participates in β ladder)trans-93132.5-178.9-172.1-175.2-69.800110.9L161 L178 C191 F193 I215 F219 V227 L229L161-M198 HydrophobicContact CD2-CE 4.01Å; L178-M198 HydrophobicContact CD2-CE 4.06Å; L178-M198 HydrophobicContact CD2-SD 4.45Å; C191-M198 WeakPolarHBondContact SG-CG 3.29Å; F193-M198 HydrophobicContact CD1-CB 4.09Å; F193-M198 HydrophobicContact CE1-CB 3.97Å; F193-M198 HydrophobicContact CE1-CE 3.61Å; F193-M198 HydrophobicContact CE1-CG 4.27Å; F193-M198 HydrophobicContact CE2-CE 4.35Å; F193-M198 HydrophobicContact CZ-CE 3.41Å; F193-M198 VanDerWaalsContact CZ-CE 3.41Å; F193-M198 HydrophobicContact CZ-CG 4.49Å; M198-I215 HydrophobicContact CB-CB 4.27Å; M198-I215 HydrophobicContact CB-CD1 3.97Å; M198-I215 HydrophobicContact CG-CD1 3.79Å; M198-I215 WeakPolarHBondContact O-CB 3.16Å; M198-I215 PolarHBondContact O-N 2.9Å; M198-I215 HydrophobicContact SD-CD1 3.56Å; M198-I215 VanDerWaalsContact SD-CD1 3.56Å; M198-F219 HydrophobicContact CB-CE2 3.89Å; M198-F219 HydrophobicContact CE-CE1 4.28Å; M198-F219 HydrophobicContact CE-CE2 3.81Å; M198-F219 HydrophobicContact CE-CZ 3.56Å; M198-V227 HydrophobicContact CE-CG1 4.05Å; M198-V227 HydrophobicContact CE-CG2 4.33Å; M198-V227 HydrophobicContact SD-CG1 4.36Å; M198-L229 HydrophobicContact SD-CD1 4.11Å; M198-L229 HydrophobicContact SD-CD2 4.34Å
199V92.3Very high83Confident12 Ų1239.8 Ų39.87%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-120.8119.2-176.1-177.10000110.4C191 H192 V194 Q212 Q213 C214C191-V199 WeakPolarHBondContact CA-O 3.32Å; H192-V199 PolarHBondContact N-O 2.88Å; H192-V199 PolarHBondContact ND1-O 2.62Å; H192-V199 PolarHBondContact O-N 3.2Å; V194-V199 HydrophobicContact CB-CG2 4.23Å; V194-V199 HydrophobicContact CG2-CG2 3.86Å; V199-Q212 HydrophobicContact CG1-CB 4.29Å; V199-Q213 WeakPolarHBondContact CA-O 3.38Å; V199-C214 HydrophobicContact CG2-CB 4.44Å
200L93Very high82.4Confident5 Ų541.7 Ų41.73%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-87.8140.3171.8-76.5162.2000110.1F179 C191 Q212 Q213 I215 L229 V241F179-L200 HydrophobicContact CZ-CD2 4.49Å; C191-L200 HydrophobicContact CB-CD2 4.06Å; L200-Q212 CarbonylContact O-C 3.51Å; L200-Q212 WeakPolarHBondContact O-CA 3.21Å; L200-Q213 PolarHBondContact N-O 2.98Å; L200-Q213 PolarHBondContact O-N 3.26Å; L200-I215 HydrophobicContact CD1-CD1 3.84Å; L200-I215 HydrophobicContact CD1-CG1 4.23Å; L200-I215 HydrophobicContact CG-CD1 4.16Å; L200-L229 HydrophobicContact CD1-CD2 4.41Å; L200-L229 HydrophobicContact CD2-CD1 4.26Å; L200-V241 HydrophobicContact CD1-CB 4.08Å; L200-V241 HydrophobicContact CD1-CG1 3.73Å; L200-V241 HydrophobicContact CD1-CG2 4.2Å
201T90.5Very high82.1Confident7 Ų743.7 Ų43.74%0.04327%0.268CS..EExtended strand (participates in β ladder)trans-134.5134.5-179.9-53.10000110.4H189 S190 H192 A210 L211 Q212H189-T201 WeakPolarHBondContact CA-O 3.47Å; S190-T201 PolarHBondContact N-O 2.97Å; S190-T201 PolarHBondContact O-N 2.85Å; H192-T201 PolarHBondContact CE1-OG1 3.01Å; T201-A210 HydrophobicContact CG2-CB 3.79Å; T201-L211 CarbonylContact C-O 3.59Å; T201-L211 VanDerWaalsContact CA-O 3.3Å; T201-L211 WeakPolarHBondContact CA-O 3.4Å; T201-Q212 HydrophobicContact CG2-CG 3.9Å
202A89.7Confident81.8Confident0 Ų049.1 Ų49.10%029%0.293CS..EExtended strand (participates in β ladder)trans-124.5126.7175.500000111.9G188 L211 L255 W257 V259G188-A202 WeakPolarHBondContact O-CA 3.29Å; A202-L211 PolarHBondContact N-O 3.11Å; A202-L211 PolarHBondContact O-N 2.84Å; A202-L255 HydrophobicContact CB-CD1 4.34Å; A202-L255 HydrophobicContact CB-CD2 4.29Å; A202-L255 HydrophobicContact CB-CG 4.48Å; A202-W257 HydrophobicContact CB-CB 4.38Å; A202-W257 HydrophobicContact CB-CG 4.49Å; A202-V259 HydrophobicContact CB-CG2 4.43Å
203N86.4Confident81.7Confident29 Ų2952 Ų5216%0.15531%0.307CS..EExtended strand (participates in β ladder)trans-115.9128-176.8-67.3-3000110.8G186 F187 G188 A210 V259G186-N203 WeakPolarHBondContact O-CB 3.49Å; G186-N203 PolarHBondContact O-ND2 2.93Å; G186-N203 VanDerWaalsContact O-ND2 3.13Å; F187-N203 CarbonylContact C-O 3.45Å; F187-N203 VanDerWaalsContact CA-O 3.3Å; F187-N203 WeakPolarHBondContact CA-O 3.5Å; G188-N203 PolarHBondContact N-O 2.84Å; G188-N203 PolarHBondContact O-N 3.46Å; N203-A210 WeakPolarHBondContact OD1-CB 3.48Å; N203-V259 WeakPolarHBondContact O-CG1 3.26Å; N203-V259 VanDerWaalsContact O-CG2 3.25Å; N203-V259 WeakPolarHBondContact O-CG2 3.39Å
204K76.3Confident81.5Confident123 Ų12355.1 Ų55.154%0.53533%0.328SS..  trans-124.3-13.9179.9-178.7-179.8172.5-172.60114.6F187F187-K204 VanDerWaalsContact CD1-C 3.42Å; F187-K204 WeakPolarHBondContact CD1-O 3.46Å; F187-K204 VanDerWaalsContact CE1-O 3.29Å; F187-K204 WeakPolarHBondContact CE1-O 3.43Å
205S70.1Confident81.7Confident57 Ų5752.4 Ų52.440%0.39931%0.312SS..SBendtrans-135.7143-175.855.30000110.8G207 G208S205-G207 PolarHBondContact O-N 2.8Å; S205-G207 VanDerWaalsContact O-N 3.15Å; S205-G208 PolarHBondContact O-N 2.75Å; S205-G208 WeakPolarHBondContact OG-CA 3.44Å
206K64.2Low81.9Confident167 Ų16760.7 Ų60.773%0.72634%0.344SS*.THydrogen-bonded Turntrans-78.6102.9-171.3-173.6173.7-171.2-177.20108.2S185 F187S185-K206 WeakPolarHBondContact O-CG 3.19Å; F187-K206 HydrophobicContact CE1-CB 4.24Å
207G62.9Low82.4Confident89 Ų8963 Ų6392%0.91835%0.348SS*.THydrogen-bonded Turntrans81.39-173.300000115.4S205S205-G207 PolarHBondContact O-N 2.8Å; S205-G207 VanDerWaalsContact O-N 3.15Å
208G61.1Low82.4Confident41 Ų4168.3 Ų68.342%0.42337%0.368SS..SBendtrans-93.9177174.700000113.4S205 A210S205-G208 PolarHBondContact O-N 2.75Å; S205-G208 WeakPolarHBondContact OG-CA 3.44Å; G208-A210 PolarHBondContact O-N 3.48Å
209Q67.3Low82.3Confident169 Ų16968.5 Ų68.579%0.7937%0.369SS*.  trans-56.1131.4-179-76.4179.4-16.500112.3
210A78Confident82.2Confident44 Ų4473.6 Ų73.636%0.36439%0.392SS..  trans-89.7136.1169.500000109.7T201 N203 G208 Q212T201-A210 HydrophobicContact CG2-CB 3.79Å; N203-A210 WeakPolarHBondContact OD1-CB 3.48Å; G208-A210 PolarHBondContact O-N 3.48Å; A210-Q212 PolarHBondContact O-N 3.34Å
211L85.1Confident81.8Confident43 Ų4376.5 Ų76.523%0.22541%0.407CS..EExtended strand (participates in β ladder)trans-81.6114.1169.3178.963.9000108.6T201 A202 L255 W257T201-L211 CarbonylContact C-O 3.59Å; T201-L211 VanDerWaalsContact CA-O 3.3Å; T201-L211 WeakPolarHBondContact CA-O 3.4Å; A202-L211 PolarHBondContact N-O 3.11Å; A202-L211 PolarHBondContact O-N 2.84Å; L211-L255 HydrophobicContact CD2-CD1 3.77Å; L211-L255 HydrophobicContact CD2-CG 4.3Å; L211-L255 HydrophobicContact CG-CD1 4.17Å; L211-W257 HydrophobicContact CB-CB 4.33Å; L211-W257 HydrophobicContact CB-CD2 3.94Å; L211-W257 HydrophobicContact CB-CE3 3.84Å; L211-W257 HydrophobicContact CB-CG 4.18Å; L211-W257 HydrophobicContact CB-CZ3 4.4Å; L211-W257 HydrophobicContact CD2-CB 3.67Å; L211-W257 HydrophobicContact CD2-CD2 4.44Å; L211-W257 HydrophobicContact CD2-CE3 4.11Å; L211-W257 HydrophobicContact CD2-CG 4.33Å; L211-W257 HydrophobicContact CG-CE3 4.44Å
212Q87.9Confident81.5Confident113 Ų11379.4 Ų79.453%0.52842%0.417SS..EExtended strand (participates in β ladder)trans-104.7141.4173.1-67.1-168.7-35.300111.2V199 L200 T201 A210V199-Q212 HydrophobicContact CG1-CB 4.29Å; L200-Q212 CarbonylContact O-C 3.51Å; L200-Q212 WeakPolarHBondContact O-CA 3.21Å; T201-Q212 HydrophobicContact CG2-CG 3.9Å; A210-Q212 PolarHBondContact O-N 3.34Å
213Q89Confident81.5Confident62 Ų6283.9 Ų83.929%0.2944%0.437SS..EExtended strand (participates in β ladder)trans-140.4125.8177.3-74-75.314.100110.1V199 L200 V253 D254 L255V199-Q213 WeakPolarHBondContact CA-O 3.38Å; L200-Q213 PolarHBondContact N-O 2.98Å; L200-Q213 PolarHBondContact O-N 3.26Å; Q213-V253 HydrophobicContact CB-CG1 3.3Å; Q213-V253 HydrophobicContact CG-CG1 3.39Å; Q213-D254 PolarHBondContact NE2-O 3.39Å; Q213-L255 HydrophobicContact CG-CD1 4.09Å
214C88.6Confident81.9Confident67 Ų6783.3 Ų83.345%0.45343%0.433SS..EExtended strand (participates in β ladder)trans-88127.5176-171.90000110.6V199V199-C214 HydrophobicContact CG2-CB 4.44Å
215I89.5Confident82.8Confident0 Ų077.6 Ų77.60%041%0.408CS..EExtended strand (participates in β ladder)trans-72128.3170.5-73.1159.1000108.1M198 L200 Y217 L229 C243M198-I215 HydrophobicContact CB-CB 4.27Å; M198-I215 HydrophobicContact CB-CD1 3.97Å; M198-I215 HydrophobicContact CG-CD1 3.79Å; M198-I215 WeakPolarHBondContact O-CB 3.16Å; M198-I215 PolarHBondContact O-N 2.9Å; M198-I215 HydrophobicContact SD-CD1 3.56Å; M198-I215 VanDerWaalsContact SD-CD1 3.56Å; L200-I215 HydrophobicContact CD1-CD1 3.84Å; L200-I215 HydrophobicContact CD1-CG1 4.23Å; L200-I215 HydrophobicContact CG-CD1 4.16Å; I215-Y217 PolarHBondContact O-N 3.17Å; I215-L229 HydrophobicContact CD1-CD2 3.71Å; I215-C243 HydrophobicContact CD1-CB 4.24Å; I215-C243 HydrophobicContact CG1-CB 4.21Å; I215-C243 HydrophobicContact CG2-CB 4.27Å
216K84.8Confident84.1Confident186 Ų18675 Ų7581%0.80939%0.389SS*.EExtended strand (participates in β ladder)trans-78.864.3-178.8-64.6-174.3178.9-177.80111.5
217Y91Very high85.7Confident69 Ų6967.1 Ų67.127%0.27136%0.355SS..EExtended strand (participates in β ladder)trans-151.7136.3173.2-169.6-97.9000111.2I215 F219 Y225 I245 T250I215-Y217 PolarHBondContact O-N 3.17Å; Y217-F219 HydrophobicContact CD1-CD1 4.15Å; Y217-F219 AromaticContact CD1-CD2 3.82Å; Y217-F219 HydrophobicContact CD1-CD2 3.82Å; Y217-F219 HydrophobicContact CD1-CE1 4.1Å; Y217-F219 AromaticContact CD1-CE2 3.76Å; Y217-F219 HydrophobicContact CD1-CE2 3.76Å; Y217-F219 HydrophobicContact CD1-CG 4.02Å; Y217-F219 AromaticContact CD1-CZ 3.92Å; Y217-F219 HydrophobicContact CD1-CZ 3.92Å; Y217-F219 HydrophobicContact CE1-CD1 4.1Å; Y217-F219 HydrophobicContact CE1-CE1 4.21Å; Y217-F219 HydrophobicContact CE1-CG 4.27Å; Y217-F219 HydrophobicContact CE1-CZ 4.47Å; Y217-Y225 HydrophobicContact CE1-CD1 4.25Å; Y217-Y225 AromaticContact CE1-CE1 3.87Å; Y217-Y225 HydrophobicContact CE1-CE1 3.87Å; Y217-Y225 VanDerWaalsContact OH-CE1 3.23Å; Y217-Y225 WeakPolarHBondContact OH-CE1 3.33Å; Y217-I245 HydrophobicContact CD1-CD1 3.31Å; Y217-I245 HydrophobicContact CD1-CG2 4.48Å; Y217-I245 HydrophobicContact CD2-CD1 3.89Å; Y217-I245 HydrophobicContact CE1-CD1 3.87Å; Y217-I245 HydrophobicContact CE1-CG2 3.94Å; Y217-I245 HydrophobicContact CE2-CD1 4.37Å; Y217-I245 HydrophobicContact CG-CD1 3.29Å; Y217-T250 HydrophobicContact CD2-CG2 3.57Å; Y217-T250 HydrophobicContact CE2-CG2 4.37Å; Y217-T250 HydrophobicContact CG-CG2 4.15Å
218E89.7Confident87.4Confident151 Ų15163 Ų6371%0.70631%0.312SS*.EExtended strand (participates in β ladder)trans-99.6112.6177.8-169-178.117000109.8
219F91.4Very high89.1Confident5 Ų561 Ų612%0.02229%0.292CS..PPolyproline II helixtrans-82119.1178.7-70.1-94.4000110.2L161 L163 F193 G196 M198 Y217 L221 Y225 V227 I245L161-F219 HydrophobicContact CD1-CD1 4.37Å; L163-F219 HydrophobicContact CD1-CB 3.91Å; F193-F219 HydrophobicContact CD1-CD2 4.44Å; F193-F219 AromaticContact CE1-CD2 3.83Å; F193-F219 HydrophobicContact CE1-CD2 3.83Å; F193-F219 HydrophobicContact CE1-CE2 4.15Å; F193-F219 HydrophobicContact CE1-CG 4.1Å; G196-F219 WeakPolarHBondContact O-CD2 3.44Å; G196-F219 PolarHBondContact O-N 2.88Å; M198-F219 HydrophobicContact CB-CE2 3.89Å; M198-F219 HydrophobicContact CE-CE1 4.28Å; M198-F219 HydrophobicContact CE-CE2 3.81Å; M198-F219 HydrophobicContact CE-CZ 3.56Å; Y217-F219 HydrophobicContact CD1-CD1 4.15Å; Y217-F219 AromaticContact CD1-CD2 3.82Å; Y217-F219 HydrophobicContact CD1-CD2 3.82Å; Y217-F219 HydrophobicContact CD1-CE1 4.1Å; Y217-F219 AromaticContact CD1-CE2 3.76Å; Y217-F219 HydrophobicContact CD1-CE2 3.76Å; Y217-F219 HydrophobicContact CD1-CG 4.02Å; Y217-F219 AromaticContact CD1-CZ 3.92Å; Y217-F219 HydrophobicContact CD1-CZ 3.92Å; Y217-F219 HydrophobicContact CE1-CD1 4.1Å; Y217-F219 HydrophobicContact CE1-CE1 4.21Å; Y217-F219 HydrophobicContact CE1-CG 4.27Å; Y217-F219 HydrophobicContact CE1-CZ 4.47Å; F219-L221 PolarHBondContact O-N 2.77Å; F219-Y225 HydrophobicContact CB-CE2 4.43Å; F219-Y225 HydrophobicContact CD1-CD1 4.38Å; F219-Y225 AromaticContact CD1-CD2 3.74Å; F219-Y225 HydrophobicContact CD1-CD2 3.74Å; F219-Y225 HydrophobicContact CD1-CE2 4.12Å; F219-Y225 AromaticContact CD1-CG 3.85Å; F219-Y225 HydrophobicContact CD1-CG 3.85Å; F219-Y225 HydrophobicContact CE1-CD2 4.45Å; F219-Y225 HydrophobicContact CE1-CG 4.13Å; F219-V227 HydrophobicContact CE1-CG2 3.68Å; F219-V227 HydrophobicContact CZ-CG2 3.98Å; F219-I245 HydrophobicContact CE1-CD1 4.1Å; F219-I245 HydrophobicContact CE1-CG2 4.38Å; F219-I245 HydrophobicContact CE2-CD1 4.12Å; F219-I245 HydrophobicContact CZ-CD1 3.5Å; F219-I245 VanDerWaalsContact CZ-CD1 3.5Å; F219-I245 HydrophobicContact CZ-CG1 4.21Å
220Q89.6Confident90.5Very high118 Ų11853 Ų5355%0.55125%0.254SS*.PPolyproline II helixtrans-70.5129.6173.6-62.1178.4-33.500109.7Y225Q220-Y225 WeakPolarHBondContact CB-OH 3.41Å; Q220-Y225 PolarHBondContact N-OH 3.44Å; Q220-Y225 VanDerWaalsContact N-OH 3.11Å
221L85.6Confident91.2Very high66 Ų6651 Ų5135%0.34624%0.237SC..THydrogen-bonded Turntrans-56.8146.3173.6-62-178.5000110.7L163 P165 F171 F219 K223L163-L221 HydrophobicContact CB-CD2 3.7Å; L163-L221 HydrophobicContact CD1-CD2 4.31Å; P165-L221 HydrophobicContact CG-CD1 3.88Å; P165-L221 HydrophobicContact CG-CD2 3.95Å; F171-L221 HydrophobicContact CD1-CD1 4.48Å; F171-L221 HydrophobicContact CD1-CD2 4.12Å; F171-L221 HydrophobicContact CE1-CD2 3.68Å; F171-L221 HydrophobicContact CE2-CD2 4.35Å; F171-L221 HydrophobicContact CZ-CD2 3.83Å; F219-L221 PolarHBondContact O-N 2.77Å; L221-K223 PolarHBondContact O-N 3.23Å
222R83.4Confident91.5Very high68 Ų6850.9 Ų50.926%0.25724%0.24SC..THydrogen-bonded Turntrans65.416.8172.7-60.2176179.6143.911.6115.8R41 R162 L163 D164 P165R41-R222 WeakPolarHBondContact O-CD 3.46Å; R41-R222 PolarHBondContact O-NE 2.93Å; R41-R222 PolarHBondContact O-NH1 3.38Å; R162-R222 VanDerWaalsContact NE-C 3.26Å; R162-R222 PolarHBondContact NE-O 3.42Å; R162-R222 PolarHBondContact NH2-O 2.81Å; R162-R222 VanDerWaalsContact NH2-O 3.08Å; L163-R222 WeakPolarHBondContact O-CA 3.42Å; L163-R222 PolarHBondContact O-N 2.93Å; D164-R222 HydrophobicContact CB-CG 4.29Å; D164-R222 WeakPolarHBondContact OD1-CG 3.5Å; D164-R222 IonicContact OD1-CZ 3.11Å; D164-R222 IonicContact OD1-NE 2.71Å; D164-R222 PolarHBondContact OD1-NE 3.14Å; D164-R222 IonicContact OD1-NH2 2.74Å; D164-R222 PolarHBondContact OD1-NH2 2.97Å; P165-R222 PolarHBondContact O-NH2 2.81Å
223K90.3Very high91.5Very high95 Ų9547.7 Ų47.741%0.41323%0.225SC..  trans-112.5147.7171.2-172.4169.3174.9176.50111.3R162 L221 Y225R162-K223 WeakPolarHBondContact CA-O 3.27Å; L221-K223 PolarHBondContact O-N 3.23Å; K223-Y225 HydrophobicContact CB-CE2 3.87Å; K223-Y225 HydrophobicContact CD-CE2 4.41Å; K223-Y225 HydrophobicContact CG-CE2 4.13Å; K223-Y225 WeakPolarHBondContact O-CD2 3.38Å
224W93.4Very high91.4Very high16 Ų1646.9 Ų46.96%0.06123%0.226CC..  trans-81.6138.5174.6-76.7105.9000111.7G126 P127 F130 W160 L161 R162 Q285G126-W224 VanDerWaalsContact CA-CD1 3.45Å; P127-W224 VanDerWaalsContact CD-CZ2 3.46Å; P127-W224 HydrophobicContact CG-CE3 4.49Å; P127-W224 HydrophobicContact CG-CH2 3.59Å; P127-W224 HydrophobicContact CG-CZ2 3.62Å; P127-W224 HydrophobicContact CG-CZ3 4.06Å; F130-W224 HydrophobicContact CB-CH2 4.07Å; F130-W224 HydrophobicContact CD1-CZ2 4.33Å; F130-W224 HydrophobicContact CG-CH2 4.24Å; F130-W224 HydrophobicContact CG-CZ2 4.24Å; W160-W224 HydrophobicContact CB-CE3 4.12Å; W160-W224 HydrophobicContact CB-CZ3 4.27Å; L161-W224 VanDerWaalsContact C-CE3 3.49Å; L161-W224 WeakPolarHBondContact O-CA 3.22Å; R162-W224 HydrophobicContact CB-CD2 3.61Å; R162-W224 HydrophobicContact CB-CE3 3.67Å; R162-W224 HydrophobicContact CB-CG 4.15Å; R162-W224 HydrophobicContact CB-CH2 4.22Å; R162-W224 HydrophobicContact CB-CZ2 4.14Å; R162-W224 HydrophobicContact CB-CZ3 3.98Å; R162-W224 HydrophobicContact CG-CD2 4.43Å; W224-Q285 HydrophobicContact CH2-CB 3.5Å; W224-Q285 HydrophobicContact CZ2-CB 3.78Å; W224-Q285 HydrophobicContact CZ3-CB 4.38Å
225Y96.4Very high91.1Very high4 Ų451.6 Ų51.62%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-135.2130.8174.9-66.5-83.6000110.3W160 L161 Y217 F219 Q220 K223 I245 N246W160-Y225 CarbonylContact C-O 3.56Å; W160-Y225 WeakPolarHBondContact CA-O 3.39Å; L161-Y225 PolarHBondContact N-O 3.33Å; L161-Y225 PolarHBondContact O-N 2.72Å; Y217-Y225 HydrophobicContact CE1-CD1 4.25Å; Y217-Y225 AromaticContact CE1-CE1 3.87Å; Y217-Y225 HydrophobicContact CE1-CE1 3.87Å; Y217-Y225 VanDerWaalsContact OH-CE1 3.23Å; Y217-Y225 WeakPolarHBondContact OH-CE1 3.33Å; F219-Y225 HydrophobicContact CB-CE2 4.43Å; F219-Y225 HydrophobicContact CD1-CD1 4.38Å; F219-Y225 AromaticContact CD1-CD2 3.74Å; F219-Y225 HydrophobicContact CD1-CD2 3.74Å; F219-Y225 HydrophobicContact CD1-CE2 4.12Å; F219-Y225 AromaticContact CD1-CG 3.85Å; F219-Y225 HydrophobicContact CD1-CG 3.85Å; F219-Y225 HydrophobicContact CE1-CD2 4.45Å; F219-Y225 HydrophobicContact CE1-CG 4.13Å; Q220-Y225 WeakPolarHBondContact CB-OH 3.41Å; Q220-Y225 PolarHBondContact N-OH 3.44Å; Q220-Y225 VanDerWaalsContact N-OH 3.11Å; K223-Y225 HydrophobicContact CB-CE2 3.87Å; K223-Y225 HydrophobicContact CD-CE2 4.41Å; K223-Y225 HydrophobicContact CG-CE2 4.13Å; K223-Y225 WeakPolarHBondContact O-CD2 3.38Å; Y225-I245 HydrophobicContact CD1-CG2 3.85Å; Y225-N246 WeakPolarHBondContact CA-OD1 3.39Å
226H97.5Very high90.7Very high3 Ų362.6 Ų62.61%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-79121.9164.1178.5-114.4000108.6V158 W160 I245 N246 Y305V158-H226 VanDerWaalsContact CG1-NE2 3.25Å; V158-H226 WeakPolarHBondContact CG1-NE2 3.34Å; W160-H226 AromaticContact CD1-CD2 3.79Å; W160-H226 HydrophobicContact CD2-CB 3.7Å; W160-H226 AromaticContact CE2-CD2 3.67Å; W160-H226 AromaticContact CE2-CG 3.95Å; W160-H226 HydrophobicContact CE3-CB 3.76Å; W160-H226 HydrophobicContact CG-CB 4.41Å; W160-H226 HydrophobicContact CH2-CB 3.86Å; W160-H226 HydrophobicContact CZ2-CB 3.78Å; W160-H226 HydrophobicContact CZ3-CB 3.84Å; W160-H226 AromaticContact NE1-CD2 3.43Å; W160-H226 PolarHBondContact NE1-CD2 2.78Å; H226-I245 CarbonylContact O-C 3.25Å; H226-I245 VanDerWaalsContact O-CA 3.3Å; H226-I245 WeakPolarHBondContact O-CA 3.39Å; H226-N246 PolarHBondContact N-OD1 3.37Å; H226-N246 PolarHBondContact O-N 3.2Å; H226-Y305 HydrophobicContact CB-CD2 3.68Å; H226-Y305 HydrophobicContact CB-CE2 4.26Å; H226-Y305 AromaticContact CG-CD2 4Å; H226-Y305 AromaticContact ND1-CD2 3.98Å
227V97.6Very high90.5Very high1 Ų155.9 Ų55.91%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-120.3126.1179.1176.20000109.3V158 T159 L161 M198 F219 L229 Y244V158-V227 WeakPolarHBondContact CA-O 3.39Å; T159-V227 PolarHBondContact N-O 3.06Å; T159-V227 PolarHBondContact O-N 3.42Å; L161-V227 HydrophobicContact CD2-CB 4.16Å; L161-V227 HydrophobicContact CD2-CG2 3.74Å; L161-V227 HydrophobicContact CG-CG2 4.1Å; M198-V227 HydrophobicContact CE-CG1 4.05Å; M198-V227 HydrophobicContact CE-CG2 4.33Å; M198-V227 HydrophobicContact SD-CG1 4.36Å; F219-V227 HydrophobicContact CE1-CG2 3.68Å; F219-V227 HydrophobicContact CZ-CG2 3.98Å; V227-L229 HydrophobicContact CG1-CD2 4.4Å; V227-L229 HydrophobicContact CG1-CG 4.07Å; V227-Y244 WeakPolarHBondContact CA-O 3.3Å
228A98.1Very high90Very high1 Ų160.3 Ų60.31%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-121.9129.4167.100000110F157 V158 Y244 V301F157-A228 WeakPolarHBondContact O-CA 3.26Å; V158-A228 HydrophobicContact CB-CB 4.42Å; V158-A228 HydrophobicContact CG1-CB 4.12Å; V158-A228 HydrophobicContact CG2-CB 3.77Å; A228-Y244 HydrophobicContact CB-CD2 4.28Å; A228-Y244 PolarHBondContact N-O 2.92Å; A228-Y244 PolarHBondContact O-N 3.48Å; A228-V301 HydrophobicContact CB-CG1 3.73Å; A228-V301 HydrophobicContact CB-CG2 4.02Å
229L97.1Very high89.9Confident0 Ų053.3 Ų53.30%024%0.244CC..EExtended strand (participates in β ladder)trans-117.4105177.1-63.4170.1000107.5S156 F157 F179 M198 L200 I215 V227 V241 C243S156-L229 CarbonylContact C-O 3.52Å; S156-L229 WeakPolarHBondContact CA-O 3.38Å; F157-L229 PolarHBondContact N-O 3.41Å; F157-L229 PolarHBondContact O-N 3.46Å; F179-L229 HydrophobicContact CE1-CD1 4Å; M198-L229 HydrophobicContact SD-CD1 4.11Å; M198-L229 HydrophobicContact SD-CD2 4.34Å; L200-L229 HydrophobicContact CD1-CD2 4.41Å; L200-L229 HydrophobicContact CD2-CD1 4.26Å; I215-L229 HydrophobicContact CD1-CD2 3.71Å; V227-L229 HydrophobicContact CG1-CD2 4.4Å; V227-L229 HydrophobicContact CG1-CG 4.07Å; L229-V241 HydrophobicContact CB-CG1 4.45Å; L229-V241 HydrophobicContact CD2-CG1 4.47Å; L229-C243 HydrophobicContact CD2-CB 3.9Å
230A95.8Very high89.9Confident0 Ų055.7 Ų55.70%026%0.255CS..EExtended strand (participates in β ladder)trans-109.2107-178.800000110S156 V241 H242 Y244 T295 L296S156-A230 WeakPolarHBondContact OG-CB 3.32Å; A230-V241 WeakPolarHBondContact O-CA 3.32Å; A230-H242 PolarHBondContact N-O 3.14Å; A230-H242 PolarHBondContact O-N 2.82Å; A230-Y244 HydrophobicContact CB-CE2 4.08Å; A230-T295 HydrophobicContact CB-CG2 3.98Å; A230-L296 HydrophobicContact CB-CB 4.5Å
231Y94Very high90.1Very high2 Ų250.1 Ų50.11%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-87116.7175.4171.2-107.9000110.3G154 W155 F233 E240 V241 L255 H258 T295G154-Y231 CarbonylContact C-O 3.56Å; G154-Y231 WeakPolarHBondContact CA-O 3.43Å; W155-Y231 AromaticContact CD1-CD1 3.51Å; W155-Y231 AromaticContact CE2-CD1 3.98Å; W155-Y231 AromaticContact CE2-CG 3.96Å; W155-Y231 HydrophobicContact CG-CD1 4.28Å; W155-Y231 HydrophobicContact CZ2-CG 4.29Å; W155-Y231 PolarHBondContact N-O 3.24Å; W155-Y231 AromaticContact NE1-CD1 3.3Å; W155-Y231 VanDerWaalsContact NE1-CD1 3.3Å; W155-Y231 AromaticContact NE1-CG 3.74Å; W155-Y231 PolarHBondContact O-N 3.31Å; Y231-F233 HydrophobicContact CE1-CB 3.99Å; Y231-E240 WeakPolarHBondContact CA-O 3.45Å; Y231-V241 HydrophobicContact CD2-CG2 3.77Å; Y231-V241 HydrophobicContact CG-CG2 4.41Å; Y231-L255 HydrophobicContact CD2-CD2 4.1Å; Y231-L255 HydrophobicContact CE2-CB 4.38Å; Y231-L255 HydrophobicContact CE2-CD2 4.11Å; Y231-H258 WeakPolarHBondContact OH-CA 3.29Å; Y231-T295 PolarHBondContact O-OG1 3.34Å; Y231-T295 VanDerWaalsContact O-OG1 3.07Å
232S91.1Very high90.5Very high42 Ų4248.4 Ų48.429%0.29422%0.219SC..EExtended strand (participates in β ladder)trans-94.6122.7171.4-161.70000110.4S239 E240 T295S232-S239 CarbonylContact O-C 3.55Å; S232-S239 WeakPolarHBondContact O-CA 3.41Å; S232-S239 WeakPolarHBondContact O-CB 3.38Å; S232-E240 PolarHBondContact N-O 2.92Å; S232-E240 PolarHBondContact O-N 2.89Å; S232-T295 WeakPolarHBondContact CA-OG1 3.37Å
233F87.8Confident91.1Very high45 Ų4545.1 Ų45.120%0.19721%0.207CC..PPolyproline II helixtrans-90134.7171.3174.2-114.3000111Q152 Y231 R235 S239 H258Q152-F233 HydrophobicContact CB-CD1 3.88Å; Q152-F233 HydrophobicContact CB-CE1 4.04Å; Q152-F233 HydrophobicContact CG-CD1 4.17Å; Q152-F233 HydrophobicContact CG-CE1 3.87Å; Q152-F233 WeakPolarHBondContact O-CD1 3.41Å; Y231-F233 HydrophobicContact CE1-CB 3.99Å; F233-R235 HydrophobicContact CE1-CB 4.13Å; F233-R235 HydrophobicContact CZ-CB 4.1Å; F233-S239 WeakPolarHBondContact CD2-OG 3.48Å; F233-H258 HydrophobicContact CD2-CB 3.71Å; F233-H258 AromaticContact CD2-CD2 3.25Å; F233-H258 WeakPolarHBondContact CD2-CD2 3.46Å; F233-H258 AromaticContact CD2-CG 3.7Å; F233-H258 HydrophobicContact CE2-CB 3.54Å; F233-H258 AromaticContact CE2-CD2 3.52Å; F233-H258 AromaticContact CE2-CG 3.59Å; F233-H258 AromaticContact CG-CD2 3.62Å
234S87Confident91.5Very high45 Ų4541 Ų4132%0.31519%0.188SC..  trans-129.2129.6168.4-169.30000110.5G237 R238 S239S234-G237 WeakPolarHBondContact OG-CA 3.32Å; S234-G237 PolarHBondContact OG-N 3.37Å; S234-R238 WeakPolarHBondContact CB-O 3.39Å; S234-S239 PolarHBondContact N-OG 2.79Å; S234-S239 PolarHBondContact O-OG 3.12Å
235R81.4Confident91.6Very high167 Ų16740.5 Ų40.563%0.6319%0.187SC*.SBendtrans-78.3-29.1178.8-176.8174.9178.1171.60.1113.2F233F233-R235 HydrophobicContact CE1-CB 4.13Å; F233-R235 HydrophobicContact CZ-CB 4.1Å
236W82.2Confident91.6Very high230 Ų23042.2 Ų42.287%0.87120%0.196SC*.SBendtrans-120.6-11.5-174.6-55.1120.2000113.4
237G79.3Confident91.4Very high46 Ų4642 Ų4247%0.47420%0.196SC..SBendtrans-119-160.4175.900000111.7S234S234-G237 WeakPolarHBondContact OG-CA 3.32Å; S234-G237 PolarHBondContact OG-N 3.37Å
238R81.7Confident91.1Very high161 Ų16149 Ų4961%0.60823%0.228SC*.  trans-78.4139.6175.1-64.1-178.8-178.7-159.2-1.8110.8S234 E240 D254 N256S234-R238 WeakPolarHBondContact CB-O 3.39Å; R238-E240 HydrophobicContact CB-CG 4.2Å; R238-D254 WeakPolarHBondContact CD-OD2 3.29Å; R238-D254 IonicContact CZ-OD2 2.95Å; R238-D254 IonicContact NE-OD2 3.87Å; R238-D254 IonicContact NH1-OD1 3.37Å; R238-D254 IonicContact NH1-OD2 3.68Å; R238-D254 PolarHBondContact NH1-OD2 2.86Å; R238-N256 WeakPolarHBondContact CA-OD1 3.45Å; R238-N256 WeakPolarHBondContact CB-OD1 3.35Å
239S88.1Confident90.9Very high4 Ų455.8 Ų55.83%0.02825%0.254CS..  trans-95.8129.4166.1-55.70000107.9S232 F233 S234 L255 N256S232-S239 CarbonylContact O-C 3.55Å; S232-S239 WeakPolarHBondContact O-CA 3.41Å; S232-S239 WeakPolarHBondContact O-CB 3.38Å; F233-S239 WeakPolarHBondContact CD2-OG 3.48Å; S234-S239 PolarHBondContact N-OG 2.79Å; S234-S239 PolarHBondContact O-OG 3.12Å; S239-L255 CarbonylContact O-C 3.59Å; S239-L255 WeakPolarHBondContact O-CA 3.34Å; S239-L255 PolarHBondContact O-N 2.82Å; S239-N256 PolarHBondContact N-OD1 2.91Å; S239-N256 PolarHBondContact O-N 3.12Å; S239-N256 PolarHBondContact O-OD1 2.83Å
240E91.1Very high90.6Very high56 Ų5658.3 Ų58.326%0.26227%0.269SS..EExtended strand (participates in β ladder)trans-132.4144.4-166.2-67.7176.4-168.900110.2Y231 S232 R238 H242 V252 V253Y231-E240 WeakPolarHBondContact CA-O 3.45Å; S232-E240 PolarHBondContact N-O 2.92Å; S232-E240 PolarHBondContact O-N 2.89Å; R238-E240 HydrophobicContact CB-CG 4.2Å; E240-H242 IonicContact OE2-CE1 3.6Å; E240-H242 PolarHBondContact OE2-CE1 3.41Å; E240-V252 HydrophobicContact CB-CG1 4Å; E240-V252 HydrophobicContact CG-CG1 4.26Å; E240-V252 WeakPolarHBondContact OE2-CG1 3.47Å; E240-V253 CarbonylContact C-O 3.56Å; E240-V253 WeakPolarHBondContact CA-O 3.32Å
241V92.8Very high90.3Very high0 Ų059 Ų590%027%0.274CS..EExtended strand (participates in β ladder)trans-99.8118.5164.4-1750000108.8L200 L229 A230 Y231 V252 V253 L255L200-V241 HydrophobicContact CD1-CB 4.08Å; L200-V241 HydrophobicContact CD1-CG1 3.73Å; L200-V241 HydrophobicContact CD1-CG2 4.2Å; L229-V241 HydrophobicContact CB-CG1 4.45Å; L229-V241 HydrophobicContact CD2-CG1 4.47Å; A230-V241 WeakPolarHBondContact O-CA 3.32Å; Y231-V241 HydrophobicContact CD2-CG2 3.77Å; Y231-V241 HydrophobicContact CG-CG2 4.41Å; V241-V252 WeakPolarHBondContact O-CA 3.41Å; V241-V253 HydrophobicContact CB-CB 4.44Å; V241-V253 PolarHBondContact N-O 2.9Å; V241-V253 PolarHBondContact O-N 2.99Å; V241-L255 HydrophobicContact CG2-CB 3.95Å; V241-L255 HydrophobicContact CG2-CD2 3.75Å; V241-L255 HydrophobicContact CG2-CG 4.43Å
242H95.1Very high90.1Very high30 Ų3061.9 Ų61.914%0.13929%0.291CS..EExtended strand (participates in β ladder)trans-86.3116.2166.3-53.2-57.5000108.6A230 E240 Y244 V252A230-H242 PolarHBondContact N-O 3.14Å; A230-H242 PolarHBondContact O-N 2.82Å; E240-H242 IonicContact OE2-CE1 3.6Å; E240-H242 PolarHBondContact OE2-CE1 3.41Å; H242-Y244 HydrophobicContact CB-CD2 4.34Å; H242-Y244 HydrophobicContact CB-CE2 3.54Å; H242-V252 WeakPolarHBondContact ND1-CG1 3.35Å; H242-V252 WeakPolarHBondContact ND1-CG2 3.49Å
243C96.2Very high90Very high0 Ų060.3 Ų60.30%028%0.28CS..EExtended strand (participates in β ladder)trans-96.1126.5172.2-178.40000109.3I215 L229 T250 S251I215-C243 HydrophobicContact CD1-CB 4.24Å; I215-C243 HydrophobicContact CG1-CB 4.21Å; I215-C243 HydrophobicContact CG2-CB 4.27Å; L229-C243 HydrophobicContact CD2-CB 3.9Å; C243-T250 PolarHBondContact O-N 3Å; C243-S251 WeakPolarHBondContact CB-OG 3.12Å; C243-S251 PolarHBondContact N-O 3.15Å; C243-S251 PolarHBondContact O-N 2.85Å
244Y97.4Very high90Very high7 Ų760.6 Ų60.63%0.02728%0.284CS..EExtended strand (participates in β ladder)trans-119.3135175.6-51.7-103.3000109.7V227 A228 A230 H242 Q248 R249 L298 V301V227-Y244 WeakPolarHBondContact CA-O 3.3Å; A228-Y244 HydrophobicContact CB-CD2 4.28Å; A228-Y244 PolarHBondContact N-O 2.92Å; A228-Y244 PolarHBondContact O-N 3.48Å; A230-Y244 HydrophobicContact CB-CE2 4.08Å; H242-Y244 HydrophobicContact CB-CD2 4.34Å; H242-Y244 HydrophobicContact CB-CE2 3.54Å; Y244-Q248 CarbonylContact C-O 3.56Å; Y244-Q248 WeakPolarHBondContact CA-O 3.31Å; Y244-R249 HydrophobicContact CD1-CB 3.53Å; Y244-R249 HydrophobicContact CD1-CG 3.97Å; Y244-R249 HydrophobicContact CE1-CB 3.57Å; Y244-R249 HydrophobicContact CE1-CG 3.77Å; Y244-R249 HydrophobicContact CG-CB 4.43Å; Y244-L298 HydrophobicContact CD1-CD1 3.88Å; Y244-L298 HydrophobicContact CE1-CB 3.98Å; Y244-L298 HydrophobicContact CE1-CD1 3.67Å; Y244-L298 HydrophobicContact CE1-CG 4.42Å; Y244-V301 HydrophobicContact CD1-CB 4.28Å; Y244-V301 HydrophobicContact CD1-CG1 3.98Å; Y244-V301 HydrophobicContact CD2-CG1 4.16Å; Y244-V301 HydrophobicContact CD2-CG2 4.06Å; Y244-V301 HydrophobicContact CE2-CG2 4.09Å; Y244-V301 HydrophobicContact CG-CB 4.27Å; Y244-V301 HydrophobicContact CG-CG1 3.68Å; Y244-V301 HydrophobicContact CG-CG2 4.32Å
245I96.6Very high89.8Confident6 Ų658.5 Ų58.53%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-129.3125.8-179.9-54.8177000107.7Y217 F219 Y225 H226 G247 Q248 T250Y217-I245 HydrophobicContact CD1-CD1 3.31Å; Y217-I245 HydrophobicContact CD1-CG2 4.48Å; Y217-I245 HydrophobicContact CD2-CD1 3.89Å; Y217-I245 HydrophobicContact CE1-CD1 3.87Å; Y217-I245 HydrophobicContact CE1-CG2 3.94Å; Y217-I245 HydrophobicContact CE2-CD1 4.37Å; Y217-I245 HydrophobicContact CG-CD1 3.29Å; F219-I245 HydrophobicContact CE1-CD1 4.1Å; F219-I245 HydrophobicContact CE1-CG2 4.38Å; F219-I245 HydrophobicContact CE2-CD1 4.12Å; F219-I245 HydrophobicContact CZ-CD1 3.5Å; F219-I245 VanDerWaalsContact CZ-CD1 3.5Å; F219-I245 HydrophobicContact CZ-CG1 4.21Å; Y225-I245 HydrophobicContact CD1-CG2 3.85Å; H226-I245 CarbonylContact O-C 3.25Å; H226-I245 VanDerWaalsContact O-CA 3.3Å; H226-I245 WeakPolarHBondContact O-CA 3.39Å; I245-G247 PolarHBondContact O-N 2.99Å; I245-Q248 PolarHBondContact N-O 3.18Å; I245-Q248 PolarHBondContact O-N 2.86Å; I245-Q248 VanDerWaalsContact O-N 3.09Å; I245-T250 WeakPolarHBondContact CB-OG1 3.47Å; I245-T250 HydrophobicContact CD1-CG2 4.25Å
246N95.3Very high89.6Confident40 Ų4054.7 Ų54.721%0.21426%0.261CS..THydrogen-bonded Turntrans51.343.5-174.2-62.6-13.5000112.7Y225 H226 Q248 Y305Y225-N246 WeakPolarHBondContact CA-OD1 3.39Å; H226-N246 PolarHBondContact N-OD1 3.37Å; H226-N246 PolarHBondContact O-N 3.2Å; N246-Q248 PolarHBondContact O-N 3.5Å; N246-Q248 VanDerWaalsContact O-N 3.17Å; N246-Y305 VanDerWaalsContact CA-CE2 3.48Å; N246-Y305 HydrophobicContact CB-CD2 4.31Å; N246-Y305 HydrophobicContact CB-CE2 3.65Å; N246-Y305 WeakPolarHBondContact O-CD1 3.36Å; N246-Y305 WeakPolarHBondContact O-CE1 3.27Å
247G92.6Very high89.1Confident0 Ų047.7 Ų47.70%023%0.234CC..THydrogen-bonded Turntrans83.4-32.1-177.800000114.2I245 N302I245-G247 PolarHBondContact O-N 2.99Å; G247-N302 PolarHBondContact O-OD1 2.91Å; G247-N302 VanDerWaalsContact O-OD1 3.06Å
248Q92.8Very high88.8Confident146 Ų14647.1 Ų47.168%0.68222%0.219SC*.EExtended strand (participates in β ladder)trans-80.4135.6-173-59.4-173.9-1.300112.1Y244 I245 N246 T250Y244-Q248 CarbonylContact C-O 3.56Å; Y244-Q248 WeakPolarHBondContact CA-O 3.31Å; I245-Q248 PolarHBondContact N-O 3.18Å; I245-Q248 PolarHBondContact O-N 2.86Å; I245-Q248 VanDerWaalsContact O-N 3.09Å; N246-Q248 PolarHBondContact O-N 3.5Å; N246-Q248 VanDerWaalsContact O-N 3.17Å; Q248-T250 PolarHBondContact O-N 3.08Å; Q248-T250 VanDerWaalsContact O-N 3.14Å; Q248-T250 PolarHBondContact O-OG1 3.29Å
249R93.7Very high88.5Confident145 Ų14539.6 Ų39.655%0.54719%0.191SC..EExtended strand (participates in β ladder)trans-72.8105.1176.5-168176.864.1-179.8-0.2110.2Y244 V252 L298Y244-R249 HydrophobicContact CD1-CB 3.53Å; Y244-R249 HydrophobicContact CD1-CG 3.97Å; Y244-R249 HydrophobicContact CE1-CB 3.57Å; Y244-R249 HydrophobicContact CE1-CG 3.77Å; Y244-R249 HydrophobicContact CG-CB 4.43Å; R249-V252 HydrophobicContact CG-CG2 4.4Å; R249-L298 HydrophobicContact CB-CD1 4.45Å
250T89.8Confident87.9Confident53 Ų5345.2 Ų45.233%0.32522%0.221SC..EExtended strand (participates in β ladder)trans-89.6-41.5-171.8-46.80000112.6Y217 C243 I245 Q248Y217-T250 HydrophobicContact CD2-CG2 3.57Å; Y217-T250 HydrophobicContact CE2-CG2 4.37Å; Y217-T250 HydrophobicContact CG-CG2 4.15Å; C243-T250 PolarHBondContact O-N 3Å; I245-T250 WeakPolarHBondContact CB-OG1 3.47Å; I245-T250 HydrophobicContact CD1-CG2 4.25Å; Q248-T250 PolarHBondContact O-N 3.08Å; Q248-T250 VanDerWaalsContact O-N 3.14Å; Q248-T250 PolarHBondContact O-OG1 3.29Å
251S89.3Confident87.3Confident14 Ų1444 Ų4410%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-144.9153.7177.266.90000112C243C243-S251 WeakPolarHBondContact CB-OG 3.12Å; C243-S251 PolarHBondContact N-O 3.15Å; C243-S251 PolarHBondContact O-N 2.85Å
252V91.4Very high86.6Confident62 Ų6252.1 Ų52.138%0.37626%0.261SS..EExtended strand (participates in β ladder)trans-121.3135.4167.6-176.30000107.3E240 V241 H242 R249E240-V252 HydrophobicContact CB-CG1 4Å; E240-V252 HydrophobicContact CG-CG1 4.26Å; E240-V252 WeakPolarHBondContact OE2-CG1 3.47Å; V241-V252 WeakPolarHBondContact O-CA 3.41Å; H242-V252 WeakPolarHBondContact ND1-CG1 3.35Å; H242-V252 WeakPolarHBondContact ND1-CG2 3.49Å; R249-V252 HydrophobicContact CG-CG2 4.4Å
253V88.9Confident86.1Confident9 Ų954.5 Ų54.56%0.05527%0.272CS..EExtended strand (participates in β ladder)trans-130.8116.4-166.8170.30000109Q213 E240 V241 L255Q213-V253 HydrophobicContact CB-CG1 3.3Å; Q213-V253 HydrophobicContact CG-CG1 3.39Å; E240-V253 CarbonylContact C-O 3.56Å; E240-V253 WeakPolarHBondContact CA-O 3.32Å; V241-V253 HydrophobicContact CB-CB 4.44Å; V241-V253 PolarHBondContact N-O 2.9Å; V241-V253 PolarHBondContact O-N 2.99Å; V253-L255 PolarHBondContact O-N 3.03Å
254D86.3Confident85.6Confident51 Ų5157.3 Ų57.327%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-62107.3173.1-78.522.9000109.7Q213 R238Q213-D254 PolarHBondContact NE2-O 3.39Å; R238-D254 WeakPolarHBondContact CD-OD2 3.29Å; R238-D254 IonicContact CZ-OD2 2.95Å; R238-D254 IonicContact NE-OD2 3.87Å; R238-D254 IonicContact NH1-OD1 3.37Å; R238-D254 IonicContact NH1-OD2 3.68Å; R238-D254 PolarHBondContact NH1-OD2 2.86Å
255L83.7Confident85.2Confident2 Ų257.2 Ų57.21%0.0129%0.285CS..  trans-123.760.4176.9-161.385.2000108.7A202 L211 Q213 Y231 S239 V241 V253 W257A202-L255 HydrophobicContact CB-CD1 4.34Å; A202-L255 HydrophobicContact CB-CD2 4.29Å; A202-L255 HydrophobicContact CB-CG 4.48Å; L211-L255 HydrophobicContact CD2-CD1 3.77Å; L211-L255 HydrophobicContact CD2-CG 4.3Å; L211-L255 HydrophobicContact CG-CD1 4.17Å; Q213-L255 HydrophobicContact CG-CD1 4.09Å; Y231-L255 HydrophobicContact CD2-CD2 4.1Å; Y231-L255 HydrophobicContact CE2-CB 4.38Å; Y231-L255 HydrophobicContact CE2-CD2 4.11Å; S239-L255 CarbonylContact O-C 3.59Å; S239-L255 WeakPolarHBondContact O-CA 3.34Å; S239-L255 PolarHBondContact O-N 2.82Å; V241-L255 HydrophobicContact CG2-CB 3.95Å; V241-L255 HydrophobicContact CG2-CD2 3.75Å; V241-L255 HydrophobicContact CG2-CG 4.43Å; V253-L255 PolarHBondContact O-N 3.03Å; L255-W257 PolarHBondContact O-N 3.28Å
256N77.7Confident84.9Confident87 Ų8758 Ų5847%0.46529%0.289SS..  trans-63.718.9-178.2-64.6-43.8000114.7R238 S239R238-N256 WeakPolarHBondContact CA-OD1 3.45Å; R238-N256 WeakPolarHBondContact CB-OD1 3.35Å; S239-N256 PolarHBondContact N-OD1 2.91Å; S239-N256 PolarHBondContact O-N 3.12Å; S239-N256 PolarHBondContact O-OD1 2.83Å
257W71.4Confident84.6Confident82 Ų8260.8 Ų60.831%0.31130%0.297SS..  trans-116.365-166.1-156.4-71.5000110.4A202 L211 L255 V259A202-W257 HydrophobicContact CB-CB 4.38Å; A202-W257 HydrophobicContact CB-CG 4.49Å; L211-W257 HydrophobicContact CB-CB 4.33Å; L211-W257 HydrophobicContact CB-CD2 3.94Å; L211-W257 HydrophobicContact CB-CE3 3.84Å; L211-W257 HydrophobicContact CB-CG 4.18Å; L211-W257 HydrophobicContact CB-CZ3 4.4Å; L211-W257 HydrophobicContact CD2-CB 3.67Å; L211-W257 HydrophobicContact CD2-CD2 4.44Å; L211-W257 HydrophobicContact CD2-CE3 4.11Å; L211-W257 HydrophobicContact CD2-CG 4.33Å; L211-W257 HydrophobicContact CG-CE3 4.44Å; L255-W257 PolarHBondContact O-N 3.28Å; W257-V259 PolarHBondContact O-N 3.46Å
258H73.6Confident84.6Confident34 Ų3460.8 Ų60.816%0.15730%0.297CS..  trans-62.1118.1177.4178.1-77000111.2Y231 F233 N260Y231-H258 WeakPolarHBondContact OH-CA 3.29Å; F233-H258 HydrophobicContact CD2-CB 3.71Å; F233-H258 AromaticContact CD2-CD2 3.25Å; F233-H258 WeakPolarHBondContact CD2-CD2 3.46Å; F233-H258 AromaticContact CD2-CG 3.7Å; F233-H258 HydrophobicContact CE2-CB 3.54Å; F233-H258 AromaticContact CE2-CD2 3.52Å; F233-H258 AromaticContact CE2-CG 3.59Å; F233-H258 AromaticContact CG-CD2 3.62Å; H258-N260 PolarHBondContact ND1-N 2.97Å; H258-N260 PolarHBondContact O-N 3.49Å
259V75.3Confident84.7Confident3 Ų354.8 Ų54.82%0.01827%0.268CS..  trans-82.895.1175.6-1750000109.4F187 A202 N203 W257 Y265F187-V259 HydrophobicContact CB-CG1 3.87Å; A202-V259 HydrophobicContact CB-CG2 4.43Å; N203-V259 WeakPolarHBondContact O-CG1 3.26Å; N203-V259 VanDerWaalsContact O-CG2 3.25Å; N203-V259 WeakPolarHBondContact O-CG2 3.39Å; W257-V259 PolarHBondContact O-N 3.46Å; V259-Y265 WeakPolarHBondContact CG1-OH 3.47Å
260N75.8Confident84.8Confident122 Ų12247.9 Ų47.965%0.65224%0.242SC*.  trans-96.3129.2169.4-165.814.2000110H258H258-N260 PolarHBondContact ND1-N 2.97Å; H258-N260 PolarHBondContact O-N 3.49Å
261T77.2Confident84.9Confident31 Ų3145.3 Ų45.319%0.1923%0.227CC..  trans-154.9144.5178.5177.50000110.6T183 F187 E263 Y265T183-T261 HydrophobicContact CG2-CG2 3.79Å; F187-T261 HydrophobicContact CD2-CG2 4.41Å; T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact OG1-CB 3.37Å; T261-E263 PolarHBondContact OG1-N 3.13Å; T261-Y265 HydrophobicContact CG2-CE2 3.84Å
262N78.6Confident85Confident171 Ų17144.7 Ų44.791%0.91422%0.223SC*.SBendtrans-84-7.5171.3-66.7-15.4000112
263E85.1Confident84.7Confident79 Ų7942 Ų4237%0.36921%0.206SC..SBendtrans-73.3141.8172.8-64-176.7175.700111.2T183 S185 T261T183-E263 WeakPolarHBondContact CB-OE2 3.49Å; T183-E263 HydrophobicContact CG2-CB 3.94Å; T183-E263 PolarHBondContact OG1-OE2 2.89Å; S185-E263 WeakPolarHBondContact CB-OE1 3.27Å; S185-E263 VanDerWaalsContact CB-OE2 3.29Å; S185-E263 WeakPolarHBondContact CB-OE2 3.2Å; S185-E263 PolarHBondContact N-OE2 3.35Å; S185-E263 PolarHBondContact OG-OE1 2.84Å; S185-E263 PolarHBondContact OG-OE2 2.81Å; T261-E263 VanDerWaalsContact C-N 3.29Å; T261-E263 WeakPolarHBondContact OG1-CB 3.37Å; T261-E263 PolarHBondContact OG1-N 3.13Å
264Q85.2Confident84.1Confident60 Ų6042.8 Ų42.828%0.2821%0.212SC..  trans-68.6146.9168.259-179.734.600111T183 D266T183-Q264 WeakPolarHBondContact CB-O 3.41Å; T183-Q264 WeakPolarHBondContact CG2-O 3.44Å; Q264-D266 VanDerWaalsContact C-N 3.3Å; Q264-D266 HydrophobicContact CG-CB 4.19Å; Q264-D266 PolarHBondContact O-N 3.48Å
265Y89.6Confident83.6Confident4 Ų443.6 Ų43.62%0.01622%0.216CC..BIsolated β-bridgetrans-81.178.4175-81-108.6000109.1P145 L146 W149 P150 F181 R182 T183 V259 T261 C268P145-Y265 WeakPolarHBondContact CA-O 3.3Å; L146-Y265 PolarHBondContact N-O 3.49Å; L146-Y265 PolarHBondContact O-N 2.97Å; W149-Y265 HydrophobicContact CZ3-CD1 4.21Å; W149-Y265 HydrophobicContact CZ3-CE1 4.26Å; W149-Y265 VanDerWaalsContact O-CD2 3.31Å; W149-Y265 WeakPolarHBondContact O-CD2 3.31Å; W149-Y265 WeakPolarHBondContact O-CE2 3.49Å; P150-Y265 VanDerWaalsContact CD-CE2 3.44Å; P150-Y265 VanDerWaalsContact CD-CZ 3.47Å; P150-Y265 WeakPolarHBondContact CD-OH 3.49Å; F181-Y265 HydrophobicContact CB-CD1 4.32Å; F181-Y265 WeakPolarHBondContact O-CD1 3.38Å; F181-Y265 WeakPolarHBondContact O-CE1 3.39Å; R182-Y265 CarbonylContact O-C 3.49Å; T183-Y265 HydrophobicContact CG2-CD1 4.29Å; T183-Y265 HydrophobicContact CG2-CD2 3.81Å; T183-Y265 HydrophobicContact CG2-CE1 4.45Å; T183-Y265 HydrophobicContact CG2-CE2 3.97Å; T183-Y265 HydrophobicContact CG2-CG 3.97Å; V259-Y265 WeakPolarHBondContact CG1-OH 3.47Å; T261-Y265 HydrophobicContact CG2-CE2 3.84Å; Y265-C268 PolarHBondContact O-SG 2.86Å
266D88.8Confident82.6Confident23 Ų2349.3 Ų49.312%0.12325%0.251CS..  trans-94.61.6-17668.2-20.3000115P145 R182 R184 Q264P145-D266 HydrophobicContact CB-CB 4.04Å; P145-D266 HydrophobicContact CG-CB 4.08Å; R182-D266 PolarHBondContact O-N 2.92Å; R184-D266 WeakPolarHBondContact CA-OD1 3.46Å; R184-D266 WeakPolarHBondContact CB-OD1 3.26Å; R184-D266 IonicContact CZ-OD2 3.27Å; R184-D266 VanDerWaalsContact CZ-OD2 3.27Å; R184-D266 PolarHBondContact N-OD1 3.48Å; R184-D266 IonicContact NE-OD2 2.91Å; R184-D266 PolarHBondContact NE-OD2 3.02Å; R184-D266 IonicContact NH2-OD2 2.75Å; R184-D266 PolarHBondContact NH2-OD2 3.29Å; Q264-D266 VanDerWaalsContact C-N 3.3Å; Q264-D266 HydrophobicContact CG-CB 4.19Å; Q264-D266 PolarHBondContact O-N 3.48Å
267R90.2Very high81.9Confident98 Ų9850.5 Ų50.537%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-117.464.5170-64.1-169.6174.4-151.61.4110.2S180 R182 F269 P274S180-R267 VanDerWaalsContact O-O 3.08Å; R182-R267 HydrophobicContact CB-CB 4.38Å; R182-R267 PolarHBondContact N-O 2.83Å; R182-R267 CarbonylContact O-C 3.04Å; R182-R267 WeakPolarHBondContact O-CA 3.47Å; R182-R267 WeakPolarHBondContact O-CB 3.38Å; R182-R267 PolarHBondContact O-N 2.74Å; R267-F269 HydrophobicContact CB-CE2 4.3Å; R267-P274 HydrophobicContact CB-CB 4.28Å; R267-P274 HydrophobicContact CB-CG 4.08Å; R267-P274 HydrophobicContact CG-CB 4.39Å
268C93Very high81.4Confident0 Ų051.1 Ų51.10%027%0.27CS..EExtended strand (participates in β ladder)trans-103.6121.3-179.7-70.10000112.1I143 S180 F181 Y265I143-C268 HydrophobicContact CB-CB 3.81Å; I143-C268 HydrophobicContact CG2-CB 4.17Å; I143-C268 PolarHBondContact N-O 3.33Å; S180-C268 CarbonylContact O-C 2.96Å; S180-C268 WeakPolarHBondContact O-CA 3.15Å; F181-C268 HydrophobicContact CD1-CB 3.97Å; Y265-C268 PolarHBondContact O-SG 2.86Å
269F94Very high81.3Confident20 Ų2053.9 Ų53.99%0.08828%0.282CS..EExtended strand (participates in β ladder)trans-139.4147.4-177.6-63.6-97.2000110.8I141 H142 F179 S180 R267 C272 P274 M375I141-F269 CarbonylContact O-C 3.43Å; I141-F269 WeakPolarHBondContact O-CA 3.15Å; H142-F269 HydrophobicContact CB-CD1 4.24Å; H142-F269 HydrophobicContact CB-CE1 4.05Å; H142-F269 AromaticContact CD2-CE1 3.48Å; H142-F269 VanDerWaalsContact CD2-CE1 3.48Å; H142-F269 WeakPolarHBondContact CD2-CE1 3.44Å; H142-F269 AromaticContact CD2-CZ 3.5Å; F179-F269 CarbonylContact C-O 3.58Å; F179-F269 VanDerWaalsContact CA-O 3.31Å; F179-F269 WeakPolarHBondContact CA-O 3.5Å; S180-F269 PolarHBondContact N-O 3.45Å; S180-F269 PolarHBondContact O-N 3.37Å; R267-F269 HydrophobicContact CB-CE2 4.3Å; F269-C272 WeakPolarHBondContact CB-O 3.42Å; F269-C272 VanDerWaalsContact CD1-SG 3.5Å; F269-P274 HydrophobicContact CD2-CB 4.3Å; F269-P274 HydrophobicContact CD2-CG 4.45Å; F269-P274 HydrophobicContact CE2-CB 3.72Å; F269-P274 HydrophobicContact CE2-CG 4.29Å; F269-P274 HydrophobicContact CZ-CB 4.3Å; F269-M375 HydrophobicContact CD1-SD 3.97Å; F269-M375 HydrophobicContact CE1-CE 4.4Å; F269-M375 HydrophobicContact CE1-SD 3.74Å
270V95.4Very high81.5Confident0 Ų054.7 Ų54.70%029%0.286CS..EExtended strand (participates in β ladder)trans-116.2133.6165.5167.80000107.9G140 I141 I143 F157 L178 F179 F181 C272 L286 L289G140-V270 CarbonylContact C-O 3.58Å; G140-V270 VanDerWaalsContact CA-O 3.3Å; G140-V270 WeakPolarHBondContact CA-O 3.36Å; I141-V270 HydrophobicContact CB-CB 4.41Å; I141-V270 PolarHBondContact N-O 3.42Å; I141-V270 PolarHBondContact O-N 3.45Å; I143-V270 HydrophobicContact CD1-CG2 3.74Å; F157-V270 HydrophobicContact CE2-CG2 4.38Å; L178-V270 WeakPolarHBondContact O-CA 3.5Å; L178-V270 WeakPolarHBondContact O-CG1 3.23Å; F179-V270 HydrophobicContact CB-CG2 4.13Å; F181-V270 HydrophobicContact CE1-CG2 4.04Å; F181-V270 HydrophobicContact CZ-CG2 4.12Å; V270-C272 VanDerWaalsContact C-N 3.31Å; V270-C272 PolarHBondContact O-N 3.41Å; V270-L286 HydrophobicContact CG1-CD1 3.64Å; V270-L289 HydrophobicContact CB-CD1 4.31Å; V270-L289 HydrophobicContact CG1-CD1 3.83Å; V270-L289 HydrophobicContact CG1-CD2 3.88Å; V270-L289 HydrophobicContact CG2-CD1 4.42Å
271G92.7Very high82Confident0 Ų049.5 Ų49.50%026%0.259CS..SBendtrans82.1-6.8-177.800000116.2Y177 L178 F282Y177-G271 CarbonylContact O-C 3.09Å; Y177-G271 WeakPolarHBondContact O-CA 3.14Å; Y177-G271 PolarHBondContact O-N 3.27Å; L178-G271 PolarHBondContact O-N 3.02Å; G271-F282 WeakPolarHBondContact O-CB 3.46Å; G271-F282 PolarHBondContact O-N 3.37Å
272C90.8Very high82.6Confident1 Ų148 Ų481%0.00725%0.25CC..SBendtrans-154.1177.1175.967.30000112.2F269 V270F269-C272 WeakPolarHBondContact CB-O 3.42Å; F269-C272 VanDerWaalsContact CD1-SG 3.5Å; V270-C272 VanDerWaalsContact C-N 3.31Å; V270-C272 PolarHBondContact O-N 3.41Å
273S85.5Confident83Confident4 Ų440.7 Ų40.73%0.02821%0.212CC..  trans-112.2151.5171.1-1790000109.9D275S273-D275 PolarHBondContact O-N 3.21Å; S273-D275 PolarHBondContact OG-N 3.43Å; S273-D275 PolarHBondContact OG-OD2 3.3Å
274P77.1Confident83.3Confident27 Ų2737 Ų3718%0.17520%0.195CC..SBendtrans-61.1-15.4165.528.7-40.4000114.3R267 F269R267-P274 HydrophobicContact CB-CB 4.28Å; R267-P274 HydrophobicContact CB-CG 4.08Å; R267-P274 HydrophobicContact CG-CB 4.39Å; F269-P274 HydrophobicContact CD2-CB 4.3Å; F269-P274 HydrophobicContact CD2-CG 4.45Å; F269-P274 HydrophobicContact CE2-CB 3.72Å; F269-P274 HydrophobicContact CE2-CG 4.29Å; F269-P274 HydrophobicContact CZ-CB 4.3Å
275D74.7Confident83.7Confident68 Ų6834.2 Ų34.236%0.36418%0.182SC..SBendtrans-80.2118.6-179.5-49.1-46.8000108.8R182 S273 N277R182-D275 IonicContact NH1-OD2 3.02Å; R182-D275 PolarHBondContact NH1-OD2 2.81Å; S273-D275 PolarHBondContact O-N 3.21Å; S273-D275 PolarHBondContact OG-N 3.43Å; S273-D275 PolarHBondContact OG-OD2 3.3Å; D275-N277 PolarHBondContact O-N 3.36Å
276T62.1Low84Confident121 Ų12134 Ų3474%0.74218%0.182SC*.  trans-7237.9-168.552.60000115.1
277N64.1Low84.3Confident112 Ų11233 Ų3360%0.59918%0.176SC*.  trans-92.9129.8178.2-128.44.8000110.4D275 K279 N280D275-N277 PolarHBondContact O-N 3.36Å; N277-K279 PolarHBondContact O-N 2.84Å; N277-N280 WeakPolarHBondContact CB-ND2 3.47Å; N277-N280 PolarHBondContact O-N 3.37Å
278V60.4Low84.6Confident95 Ų9528.4 Ų28.458%0.57616%0.159SC*.G310 helixtrans-61.6-28.6-170.5178.40000113.5P137 N280P137-V278 HydrophobicContact CB-CG2 4.32Å; P137-V278 HydrophobicContact CG-CG1 4.1Å; P137-V278 HydrophobicContact CG-CG2 4.28Å; V278-N280 PolarHBondContact O-N 2.96Å
279K71.7Confident84.8Confident92 Ų9228.4 Ų28.440%0.416%0.159SC..G310 helixtrans-87.710.1-174.6-64.9-167.4166.7-170.30115.9E173 D174 M175 N277E173-K279 IonicContact OE2-NZ 2.76Å; E173-K279 PolarHBondContact OE2-NZ 3.48Å; D174-K279 WeakPolarHBondContact OD1-CB 3.31Å; D174-K279 VanDerWaalsContact OD1-CD 3.32Å; D174-K279 WeakPolarHBondContact OD1-CD 3.49Å; D174-K279 VanDerWaalsContact OD1-CG 3.24Å; D174-K279 WeakPolarHBondContact OD1-CG 3.34Å; M175-K279 PolarHBondContact N-O 3.35Å; N277-K279 PolarHBondContact O-N 2.84Å
280N79.7Confident84.9Confident21 Ų2128.2 Ų28.211%0.11216%0.158CC..G310 helixtrans-102.7-6.9-171.5-69.2-6.1000114.7M175 Y177 N277 V278M175-N280 WeakPolarHBondContact O-CA 3.4Å; Y177-N280 HydrophobicContact CD2-CB 4.01Å; Y177-N280 WeakPolarHBondContact CD2-O 3.11Å; Y177-N280 HydrophobicContact CE2-CB 4.21Å; Y177-N280 PolarHBondContact N-O 2.54Å; N277-N280 WeakPolarHBondContact CB-ND2 3.47Å; N277-N280 PolarHBondContact O-N 3.37Å; V278-N280 PolarHBondContact O-N 2.96Å
281S86.9Confident85Confident12 Ų1228.2 Ų28.28%0.08416%0.158CC..SBendtrans-88.6138.9-173.1-73.30000112.6G135 H136G135-S281 WeakPolarHBondContact O-CB 3.42Å; H136-S281 WeakPolarHBondContact O-CB 3.32Å; H136-S281 PolarHBondContact O-OG 2.98Å
282F89.4Confident85.1Confident0 Ų028.2 Ų28.20%016%0.158CC..  trans-72.2126.2179.8-176.4-92.3000111L133 G135 L163 P176 L178 F193 G271 L286L133-F282 HydrophobicContact CB-CD1 4.16Å; L133-F282 VanDerWaalsContact CB-O 3.27Å; L133-F282 WeakPolarHBondContact CB-O 3.35Å; L133-F282 HydrophobicContact CD1-CD1 4.26Å; L133-F282 HydrophobicContact CD2-CB 4.42Å; L133-F282 HydrophobicContact CD2-CD1 4.21Å; L133-F282 HydrophobicContact CG-CD1 4.45Å; G135-F282 WeakPolarHBondContact CA-O 3.4Å; G135-F282 PolarHBondContact N-O 3.4Å; L163-F282 HydrophobicContact CD2-CD2 4.22Å; L163-F282 HydrophobicContact CD2-CE2 3.5Å; L163-F282 VanDerWaalsContact CD2-CE2 3.5Å; L163-F282 HydrophobicContact CD2-CZ 4.03Å; L163-F282 HydrophobicContact CG-CE2 4.47Å; P176-F282 HydrophobicContact CB-CB 4.45Å; P176-F282 HydrophobicContact CB-CD2 4.5Å; L178-F282 HydrophobicContact CD1-CE2 4.47Å; F193-F282 HydrophobicContact CD2-CE2 4.39Å; F193-F282 HydrophobicContact CE2-CD2 4.27Å; F193-F282 AromaticContact CE2-CE2 3.8Å; F193-F282 HydrophobicContact CE2-CE2 3.8Å; G271-F282 WeakPolarHBondContact O-CB 3.46Å; G271-F282 PolarHBondContact O-N 3.37Å; F282-L286 HydrophobicContact CD1-CG 4.46Å; F282-L286 HydrophobicContact CE1-CD1 4.39Å; F282-L286 HydrophobicContact CE1-CD2 3.9Å; F282-L286 HydrophobicContact CE1-CG 3.9Å; F282-L286 HydrophobicContact CZ-CD2 3.87Å; F282-L286 HydrophobicContact CZ-CG 4.39Å
283S87.2Confident85.2Confident17 Ų1729.4 Ų29.412%0.11917%0.166CC..EExtended strand (participates in β ladder)trans-110.1105.9177.1-154.90000108.7R44 S134 D164R44-S283 PolarHBondContact NH2-OG 3.49Å; S134-S283 PolarHBondContact O-OG 3.09Å; D164-S283 CarbonylContact C-O 3.55Å; D164-S283 PolarHBondContact N-O 3.47Å
284G90.1Very high85.5Confident2 Ų233 Ų332%0.02118%0.183CC..EExtended strand (participates in β ladder)trans159.1-159.4-169.800000114.2L133 R162L133-G284 PolarHBondContact N-O 3.06Å; L133-G284 PolarHBondContact O-N 3.23Å; R162-G284 CarbonylContact O-C 3.28Å; R162-G284 VanDerWaalsContact O-CA 3.27Å; R162-G284 WeakPolarHBondContact O-CA 3.19Å
285Q93.9Very high86.3Confident2 Ų233.7 Ų33.71%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-129.3142.2-174.1-63.4167.9-31.900111E47 F130 F131 T132 L161 R162 W224E47-Q285 PolarHBondContact OE1-NE2 2.83Å; F130-Q285 HydrophobicContact CD2-CB 4Å; F130-Q285 HydrophobicContact CD2-CG 3.87Å; F130-Q285 HydrophobicContact CE2-CG 3.95Å; F131-Q285 CarbonylContact O-C 3.54Å; F131-Q285 WeakPolarHBondContact O-CA 3.28Å; T132-Q285 HydrophobicContact CG2-CG 4.44Å; L161-Q285 WeakPolarHBondContact CA-O 3.46Å; R162-Q285 HydrophobicContact CB-CB 4.36Å; R162-Q285 PolarHBondContact N-O 3.04Å; R162-Q285 PolarHBondContact O-N 2.94Å; W224-Q285 HydrophobicContact CH2-CB 3.5Å; W224-Q285 HydrophobicContact CZ2-CB 3.78Å; W224-Q285 HydrophobicContact CZ3-CB 4.38Å
286L96.5Very high87.3Confident0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-132.6136.1178.4-61.2175.6000109.8F130 F131 L133 T159 W160 L161 L178 V270 F282 L289F130-L286 WeakPolarHBondContact CB-O 3.35Å; F131-L286 HydrophobicContact CB-CB 4.45Å; F131-L286 PolarHBondContact N-O 3.18Å; F131-L286 PolarHBondContact O-N 3.32Å; L133-L286 HydrophobicContact CD1-CB 4.28Å; L133-L286 HydrophobicContact CD1-CD1 3.84Å; L133-L286 HydrophobicContact CD1-CG 3.91Å; L133-L286 HydrophobicContact CD2-CD1 4.3Å; T159-L286 HydrophobicContact CG2-CD2 4.35Å; W160-L286 WeakPolarHBondContact O-CA 3.39Å; L161-L286 HydrophobicContact CB-CD2 3.47Å; L161-L286 VanDerWaalsContact CB-CD2 3.47Å; L178-L286 HydrophobicContact CD1-CD1 4.45Å; L178-L286 HydrophobicContact CD1-CD2 3.76Å; V270-L286 HydrophobicContact CG1-CD1 3.64Å; F282-L286 HydrophobicContact CD1-CG 4.46Å; F282-L286 HydrophobicContact CE1-CD1 4.39Å; F282-L286 HydrophobicContact CE1-CD2 3.9Å; F282-L286 HydrophobicContact CE1-CG 3.9Å; F282-L286 HydrophobicContact CZ-CD2 3.87Å; F282-L286 HydrophobicContact CZ-CG 4.39Å; L286-L289 HydrophobicContact CB-CD2 4.31Å; L286-L289 HydrophobicContact CD1-CD2 4.2Å
287S95.2Very high88.7Confident1 Ų126.8 Ų26.81%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-83.6-152.6171.8-165.70000110.6W160 L289 P309W160-S287 PolarHBondContact O-N 3.02Å; S287-L289 PolarHBondContact O-N 3.37Å; S287-P309 PolarHBondContact OG-O 3.11Å
288A96Very high90.1Very high2 Ų224.5 Ų24.52%0.01714%0.136CC..EExtended strand (participates in β ladder)trans-52.6139170.400000112T159 Y290 Q312 Y344T159-A288 WeakPolarHBondContact CB-O 3.42Å; T159-A288 PolarHBondContact OG1-O 2.94Å; A288-Y290 HydrophobicContact CB-CD2 4.34Å; A288-Y290 HydrophobicContact CB-CE2 3.57Å; A288-Q312 HydrophobicContact CB-CG 4.13Å; A288-Y344 WeakPolarHBondContact CA-O 3.35Å
289L97.3Very high91.7Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-109.2117.6-179-55.9165.4000108.6F131 I141 F157 T159 V270 L286 S287 F342 Y344F131-L289 HydrophobicContact CD2-CD1 4.32Å; F131-L289 HydrophobicContact CE2-CD1 4Å; F131-L289 HydrophobicContact CE2-CG 4.27Å; I141-L289 HydrophobicContact CD1-CD1 3.92Å; F157-L289 HydrophobicContact CZ-CD2 4.13Å; T159-L289 HydrophobicContact CG2-CD2 4.34Å; V270-L289 HydrophobicContact CB-CD1 4.31Å; V270-L289 HydrophobicContact CG1-CD1 3.83Å; V270-L289 HydrophobicContact CG1-CD2 3.88Å; V270-L289 HydrophobicContact CG2-CD1 4.42Å; L286-L289 HydrophobicContact CB-CD2 4.31Å; L286-L289 HydrophobicContact CD1-CD2 4.2Å; S287-L289 PolarHBondContact O-N 3.37Å; L289-F342 HydrophobicContact CB-CE2 4.29Å; L289-Y344 PolarHBondContact N-O 2.97Å; L289-Y344 PolarHBondContact O-N 3.22Å
290Y97.2Very high92.8Very high15 Ų1521.7 Ų21.76%0.05912%0.118CC..EExtended strand (participates in β ladder)trans-116.4132.9-179.9-62.2-73.1000110.7F157 V158 A288 Y311 S313 F315 L340 A343F157-Y290 WeakPolarHBondContact CA-O 3.29Å; V158-Y290 PolarHBondContact N-O 3.44Å; V158-Y290 PolarHBondContact O-N 3.47Å; A288-Y290 HydrophobicContact CB-CD2 4.34Å; A288-Y290 HydrophobicContact CB-CE2 3.57Å; Y290-Y311 WeakPolarHBondContact OH-CD1 3.39Å; Y290-Y311 PolarHBondContact OH-O 2.94Å; Y290-S313 WeakPolarHBondContact CE1-O 3.46Å; Y290-S313 PolarHBondContact OH-N 3.45Å; Y290-S313 PolarHBondContact OH-O 3.16Å; Y290-F315 AromaticContact CD1-CE2 3.86Å; Y290-F315 HydrophobicContact CD1-CE2 3.86Å; Y290-F315 HydrophobicContact CD1-CZ 4.12Å; Y290-F315 HydrophobicContact CD2-CZ 4.4Å; Y290-F315 AromaticContact CE1-CE2 3.71Å; Y290-F315 HydrophobicContact CE1-CE2 3.71Å; Y290-F315 AromaticContact CE1-CZ 3.77Å; Y290-F315 HydrophobicContact CE1-CZ 3.77Å; Y290-F315 HydrophobicContact CE2-CZ 4.08Å; Y290-F315 HydrophobicContact CG-CE2 4.43Å; Y290-F315 HydrophobicContact CG-CZ 4.41Å; Y290-F315 AromaticContact CZ-CZ 3.73Å; Y290-L340 HydrophobicContact CD1-CD2 3.86Å; Y290-A343 HydrophobicContact CD1-CB 3.77Å; Y290-A343 HydrophobicContact CE1-CB 3.67Å
291L96Very high93.6Very high0 Ų020.7 Ų20.70%011%0.112CC..EExtended strand (participates in β ladder)trans-124.5130.3168-177.769.2000108.8L146 W149 S156 F157 F181 V341 F342L146-L291 HydrophobicContact CD1-CD2 4.08Å; W149-L291 HydrophobicContact CD2-CD2 4.36Å; W149-L291 HydrophobicContact CH2-CD2 4.37Å; W149-L291 HydrophobicContact CZ2-CD1 3.85Å; W149-L291 HydrophobicContact CZ2-CD2 3.97Å; W149-L291 HydrophobicContact CZ2-CG 4.37Å; S156-L291 CarbonylContact O-C 3.59Å; S156-L291 WeakPolarHBondContact O-CA 3.46Å; F157-L291 HydrophobicContact CB-CD1 4.26Å; F157-L291 HydrophobicContact CD2-CD1 4.47Å; F181-L291 HydrophobicContact CE2-CD1 4.35Å; L291-V341 HydrophobicContact CB-CB 4.27Å; L291-V341 HydrophobicContact CD2-CB 4.1Å; L291-V341 HydrophobicContact CD2-CG1 4.06Å; L291-V341 HydrophobicContact CD2-CG2 4.39Å; L291-V341 HydrophobicContact CG-CB 4.11Å; L291-V341 HydrophobicContact CG-CG2 4.26Å; L291-V341 WeakPolarHBondContact O-CB 3.45Å; L291-V341 PolarHBondContact O-N 3.14Å; L291-F342 HydrophobicContact CB-CD1 3.83Å; L291-F342 HydrophobicContact CB-CD2 4.02Å; L291-F342 HydrophobicContact CB-CE1 3.48Å; L291-F342 VanDerWaalsContact CB-CE1 3.48Å; L291-F342 HydrophobicContact CB-CE2 3.67Å; L291-F342 HydrophobicContact CB-CG 4.1Å; L291-F342 HydrophobicContact CB-CZ 3.39Å; L291-F342 HydrophobicContact CD2-CD1 3.95Å; L291-F342 HydrophobicContact CD2-CE1 3.39Å; L291-F342 HydrophobicContact CD2-CZ 3.99Å; L291-F342 HydrophobicContact CG-CE1 4.06Å; L291-F342 HydrophobicContact CG-CZ 4.28Å; L291-F342 PolarHBondContact N-O 3.37Å; L291-F342 PolarHBondContact O-N 3.23Å
292F95Very high93.9Very high0 Ų022.3 Ų22.30%012%0.12CC..EExtended strand (participates in β ladder)trans-114.7144.6178.2-56.1-93.2000110.4W155 S156 V158 E294 L296 L304 F315 L336 S339 L340W155-F292 WeakPolarHBondContact CA-O 3.44Å; W155-F292 WeakPolarHBondContact CB-O 3.44Å; S156-F292 PolarHBondContact N-O 3.49Å; S156-F292 PolarHBondContact O-N 3.28Å; V158-F292 HydrophobicContact CB-CE2 4.31Å; V158-F292 HydrophobicContact CG2-CD2 4.2Å; V158-F292 HydrophobicContact CG2-CE2 3.83Å; F292-E294 PolarHBondContact O-N 2.87Å; F292-L296 HydrophobicContact CD2-CD1 3.75Å; F292-L296 HydrophobicContact CD2-CG 4.38Å; F292-L296 HydrophobicContact CE2-CD1 3.8Å; F292-L296 HydrophobicContact CG-CD1 4.32Å; F292-L296 HydrophobicContact CG-CD2 4.45Å; F292-L296 HydrophobicContact CZ-CD1 4.4Å; F292-L304 HydrophobicContact CZ-CD1 4.47Å; F292-F315 HydrophobicContact CE1-CD2 4.39Å; F292-F315 HydrophobicContact CE1-CE2 4.1Å; F292-F315 HydrophobicContact CZ-CD2 4.44Å; F292-F315 AromaticContact CZ-CE2 3.74Å; F292-F315 HydrophobicContact CZ-CE2 3.74Å; F292-F315 HydrophobicContact CZ-CZ 4.37Å; F292-L336 HydrophobicContact CD1-CD1 3.93Å; F292-L336 HydrophobicContact CE1-CD1 3.38Å; F292-L336 HydrophobicContact CE1-CG 3.81Å; F292-L336 WeakPolarHBondContact CE1-O 3.25Å; F292-L336 HydrophobicContact CZ-CD1 3.85Å; F292-L336 HydrophobicContact CZ-CG 4.37Å; F292-S339 CarbonylContact C-O 3.52Å; F292-S339 WeakPolarHBondContact CA-O 3.33Å; F292-L340 HydrophobicContact CD1-CD2 3.69Å; F292-L340 HydrophobicContact CD1-CG 3.94Å; F292-L340 HydrophobicContact CE1-CD2 3.3Å; F292-L340 HydrophobicContact CE1-CG 3.6Å; F292-L340 HydrophobicContact CE2-CD2 4.3Å; F292-L340 HydrophobicContact CG-CD2 4.35Å; F292-L340 HydrophobicContact CZ-CD2 3.66Å; F292-L340 HydrophobicContact CZ-CG 4.38Å
293S92.6Very high94.1Very high26 Ų2622.3 Ų22.318%0.18212%0.12CC..SBendtrans-83.58.4178.855.70000113.8G154 S339G154-S293 CarbonylContact O-C 3.58Å; G154-S293 VanDerWaalsContact O-O 3.13Å; S293-S339 PolarHBondContact N-O 3.33Å; S293-S339 PolarHBondContact OG-O 2.85Å
294E92.3Very high94.4Very high81 Ų8122 Ų2238%0.37912%0.117SC..SBendtrans-137.2165.5-179.2-59.8-168149.500111.4N153 W155 S156 F292N153-E294 HydrophobicContact CB-CG 4.2Å; W155-E294 CarbonylContact C-O 3.55Å; W155-E294 VanDerWaalsContact C-O 3.25Å; S156-E294 PolarHBondContact N-O 2.94Å; S156-E294 PolarHBondContact OG-O 3.12Å; F292-E294 PolarHBondContact O-N 2.87Å
295T93.3Very high94.6Very high40 Ų4025.3 Ų25.325%0.24513%0.13CC..PPolyproline II helixtrans-79.8119174.3-46.10000110.5N153 S156 A230 Y231 S232N153-T295 PolarHBondContact O-N 3.29Å; N153-T295 PolarHBondContact O-OG1 2.77Å; S156-T295 WeakPolarHBondContact OG-CA 3.25Å; A230-T295 HydrophobicContact CB-CG2 3.98Å; Y231-T295 PolarHBondContact O-OG1 3.34Å; Y231-T295 VanDerWaalsContact O-OG1 3.07Å; S232-T295 WeakPolarHBondContact CA-OG1 3.37Å
296L95.4Very high94.5Very high3 Ų330.9 Ų30.92%0.01615%0.151CC..PPolyproline II helixtrans-77.9137176.5-66.5179.7000112.5S156 V158 A230 F292 Q300 V301 L304 L336S156-L296 PolarHBondContact OG-N 3.39Å; V158-L296 HydrophobicContact CG2-CD1 3.81Å; A230-L296 HydrophobicContact CB-CB 4.5Å; F292-L296 HydrophobicContact CD2-CD1 3.75Å; F292-L296 HydrophobicContact CD2-CG 4.38Å; F292-L296 HydrophobicContact CE2-CD1 3.8Å; F292-L296 HydrophobicContact CG-CD1 4.32Å; F292-L296 HydrophobicContact CG-CD2 4.45Å; F292-L296 HydrophobicContact CZ-CD1 4.4Å; L296-Q300 HydrophobicContact CD2-CB 4.3Å; L296-V301 HydrophobicContact CB-CG2 3.85Å; L296-V301 HydrophobicContact CD1-CG2 4.38Å; L296-L304 HydrophobicContact CD1-CD1 3.75Å; L296-L336 HydrophobicContact CD2-CD1 3.44Å; L296-L336 VanDerWaalsContact CD2-CD1 3.44Å
297S93.2Very high94.1Very high41 Ų4131.7 Ų31.729%0.28716%0.156SC..PPolyproline II helixtrans-76.7158.3173.163.30000112.7Q299 Q300 V301S297-Q299 PolarHBondContact O-N 3.02Å; S297-Q300 PolarHBondContact O-N 3.36Å; S297-Q300 VanDerWaalsContact O-N 3.12Å; S297-Q300 WeakPolarHBondContact OG-CG 3.48Å; S297-Q300 PolarHBondContact OG-N 2.82Å; S297-Q300 PolarHBondContact OG-OE1 2.82Å; S297-V301 WeakPolarHBondContact O-CG2 3.27Å; S297-V301 PolarHBondContact O-N 3.07Å
298L93.6Very high93.8Very high65 Ų6532.7 Ų32.734%0.3417%0.166SC..Hα-helixtrans-54.1-37.4174.217563000112.5Y244 R249 V301 N302Y244-L298 HydrophobicContact CD1-CD1 3.88Å; Y244-L298 HydrophobicContact CE1-CB 3.98Å; Y244-L298 HydrophobicContact CE1-CD1 3.67Å; Y244-L298 HydrophobicContact CE1-CG 4.42Å; R249-L298 HydrophobicContact CB-CD1 4.45Å; L298-V301 PolarHBondContact O-N 2.77Å; L298-N302 VanDerWaalsContact O-CB 3.3Å; L298-N302 WeakPolarHBondContact O-CB 3.44Å; L298-N302 PolarHBondContact O-N 2.86Å; L298-N302 PolarHBondContact O-ND2 3.18Å
299Q92.5Very high93.5Very high96 Ų9633.7 Ų33.745%0.44917%0.172SC..Hα-helixtrans-67-41.8178.6-65.881.7-5.900112S297 S303 Y330S297-Q299 PolarHBondContact O-N 3.02Å; Q299-S303 WeakPolarHBondContact O-CB 3.07Å; Q299-S303 PolarHBondContact O-N 2.76Å; Q299-S303 PolarHBondContact O-OG 2.6Å; Q299-Y330 HydrophobicContact CB-CD1 3.79Å; Q299-Y330 HydrophobicContact CB-CD2 4.16Å; Q299-Y330 HydrophobicContact CB-CE1 3.77Å; Q299-Y330 HydrophobicContact CB-CE2 4.14Å; Q299-Y330 HydrophobicContact CB-CG 4Å; Q299-Y330 HydrophobicContact CG-CE1 4.14Å
300Q94.8Very high93.1Very high31 Ų3137.6 Ų37.615%0.14519%0.193CC..Hα-helixtrans-65.2-45.2174.4-72.3164.1-56.800110.9L296 S297 S303 L304L296-Q300 HydrophobicContact CD2-CB 4.3Å; S297-Q300 PolarHBondContact O-N 3.36Å; S297-Q300 VanDerWaalsContact O-N 3.12Å; S297-Q300 WeakPolarHBondContact OG-CG 3.48Å; S297-Q300 PolarHBondContact OG-N 2.82Å; S297-Q300 PolarHBondContact OG-OE1 2.82Å; Q300-S303 PolarHBondContact O-N 3.38Å; Q300-L304 WeakPolarHBondContact O-CG 3.35Å; Q300-L304 PolarHBondContact O-N 3.06Å
301V96.5Very high92.8Very high0 Ų037.8 Ų37.80%019%0.194CC..Hα-helixtrans-66.4-40179.8176.30000112.6A228 Y244 L296 S297 L298 L304 Y305A228-V301 HydrophobicContact CB-CG1 3.73Å; A228-V301 HydrophobicContact CB-CG2 4.02Å; Y244-V301 HydrophobicContact CD1-CB 4.28Å; Y244-V301 HydrophobicContact CD1-CG1 3.98Å; Y244-V301 HydrophobicContact CD2-CG1 4.16Å; Y244-V301 HydrophobicContact CD2-CG2 4.06Å; Y244-V301 HydrophobicContact CE2-CG2 4.09Å; Y244-V301 HydrophobicContact CG-CB 4.27Å; Y244-V301 HydrophobicContact CG-CG1 3.68Å; Y244-V301 HydrophobicContact CG-CG2 4.32Å; L296-V301 HydrophobicContact CB-CG2 3.85Å; L296-V301 HydrophobicContact CD1-CG2 4.38Å; S297-V301 WeakPolarHBondContact O-CG2 3.27Å; S297-V301 PolarHBondContact O-N 3.07Å; L298-V301 PolarHBondContact O-N 2.77Å; V301-L304 PolarHBondContact O-N 3.31Å; V301-Y305 PolarHBondContact O-N 3.48Å
302N94Very high92.5Very high46 Ų4638.1 Ų38.125%0.24620%0.195CC..Hα-helixtrans-60.2-46.4170.7-83.4-29.6000110.8G247 L298 L304 Y305 Y306G247-N302 PolarHBondContact O-OD1 2.91Å; G247-N302 VanDerWaalsContact O-OD1 3.06Å; L298-N302 VanDerWaalsContact O-CB 3.3Å; L298-N302 WeakPolarHBondContact O-CB 3.44Å; L298-N302 PolarHBondContact O-N 2.86Å; L298-N302 PolarHBondContact O-ND2 3.18Å; N302-L304 VanDerWaalsContact C-N 3.31Å; N302-L304 PolarHBondContact O-N 3.01Å; N302-Y305 WeakPolarHBondContact O-CB 3.24Å; N302-Y305 PolarHBondContact O-N 3.41Å; N302-Y306 VanDerWaalsContact O-CD2 3.28Å; N302-Y306 WeakPolarHBondContact O-CD2 3.36Å; N302-Y306 PolarHBondContact O-N 3.29Å
303S93.1Very high92.3Very high1 Ų139.2 Ų39.21%0.00720%0.203CC..Hα-helixtrans-63.3-37.6178.6-53.90000112.1Q299 Q300 Y306 L307 Y327Q299-S303 WeakPolarHBondContact O-CB 3.07Å; Q299-S303 PolarHBondContact O-N 2.76Å; Q299-S303 PolarHBondContact O-OG 2.6Å; Q300-S303 PolarHBondContact O-N 3.38Å; S303-Y306 PolarHBondContact O-N 2.9Å; S303-L307 PolarHBondContact O-N 3.49Å; S303-Y327 PolarHBondContact OG-O 3.39Å
304L94.4Very high92.2Very high9 Ų938.2 Ų38.25%0.04720%0.196CC..Hα-helixtrans-63.8-40.6173.3-76.1172.6000112.3V158 F292 L296 Q300 V301 N302 L307 F315 L331 L336V158-L304 HydrophobicContact CG1-CD1 4.41Å; V158-L304 HydrophobicContact CG2-CD1 4.35Å; F292-L304 HydrophobicContact CZ-CD1 4.47Å; L296-L304 HydrophobicContact CD1-CD1 3.75Å; Q300-L304 WeakPolarHBondContact O-CG 3.35Å; Q300-L304 PolarHBondContact O-N 3.06Å; V301-L304 PolarHBondContact O-N 3.31Å; N302-L304 VanDerWaalsContact C-N 3.31Å; N302-L304 PolarHBondContact O-N 3.01Å; L304-L307 HydrophobicContact CD2-CD1 4.04Å; L304-L307 WeakPolarHBondContact O-CB 3.22Å; L304-L307 PolarHBondContact O-N 3.28Å; L304-F315 HydrophobicContact CD2-CD1 4.14Å; L304-F315 HydrophobicContact CD2-CE1 3.28Å; L304-F315 HydrophobicContact CD2-CE2 4.32Å; L304-F315 HydrophobicContact CD2-CZ 3.41Å; L304-F315 VanDerWaalsContact CD2-CZ 3.41Å; L304-L331 HydrophobicContact CD2-CD2 3.89Å; L304-L331 HydrophobicContact CG-CD2 4.05Å; L304-L336 HydrophobicContact CD2-CD2 4.14Å
305Y94.6Very high92.1Very high73 Ų7334.4 Ų34.429%0.28618%0.178SC..Hα-helixtrans-63.3-42.6174.2174-112.9000111.9W160 H226 N246 V301 N302 L307 G308W160-Y305 AromaticContact CH2-CD2 3.6Å; W160-Y305 HydrophobicContact CH2-CD2 3.6Å; W160-Y305 AromaticContact CH2-CE2 3.5Å; W160-Y305 HydrophobicContact CH2-CE2 3.5Å; W160-Y305 VanDerWaalsContact CH2-CE2 3.5Å; W160-Y305 AromaticContact CZ2-CD2 3.85Å; W160-Y305 HydrophobicContact CZ2-CD2 3.85Å; W160-Y305 HydrophobicContact CZ2-CE2 4.23Å; W160-Y305 HydrophobicContact CZ3-CD2 4.48Å; W160-Y305 HydrophobicContact CZ3-CE2 4.17Å; H226-Y305 HydrophobicContact CB-CD2 3.68Å; H226-Y305 HydrophobicContact CB-CE2 4.26Å; H226-Y305 AromaticContact CG-CD2 4Å; H226-Y305 AromaticContact ND1-CD2 3.98Å; N246-Y305 VanDerWaalsContact CA-CE2 3.48Å; N246-Y305 HydrophobicContact CB-CD2 4.31Å; N246-Y305 HydrophobicContact CB-CE2 3.65Å; N246-Y305 WeakPolarHBondContact O-CD1 3.36Å; N246-Y305 WeakPolarHBondContact O-CE1 3.27Å; V301-Y305 PolarHBondContact O-N 3.48Å; N302-Y305 WeakPolarHBondContact O-CB 3.24Å; N302-Y305 PolarHBondContact O-N 3.41Å; Y305-L307 VanDerWaalsContact C-N 3.25Å; Y305-L307 PolarHBondContact O-N 2.87Å; Y305-G308 PolarHBondContact O-N 3.36Å
306Y89.8Confident91.6Very high118 Ų11836.1 Ų36.146%0.46318%0.182SC..Hα-helixtrans-68.3-16.6178.4-86.2-74.2000114.6N302 S303 G308 I323 Y327N302-Y306 VanDerWaalsContact O-CD2 3.28Å; N302-Y306 WeakPolarHBondContact O-CD2 3.36Å; N302-Y306 PolarHBondContact O-N 3.29Å; S303-Y306 PolarHBondContact O-N 2.9Å; Y306-G308 PolarHBondContact O-N 3.24Å; Y306-I323 WeakPolarHBondContact O-CG2 3.23Å; Y306-Y327 HydrophobicContact CD1-CE2 4.17Å; Y306-Y327 AromaticContact CD2-CD1 3.9Å; Y306-Y327 HydrophobicContact CD2-CD1 3.9Å; Y306-Y327 HydrophobicContact CD2-CD2 4.37Å; Y306-Y327 AromaticContact CD2-CE1 3.41Å; Y306-Y327 HydrophobicContact CD2-CE1 3.41Å; Y306-Y327 VanDerWaalsContact CD2-CE1 3.41Å; Y306-Y327 AromaticContact CD2-CE2 3.92Å; Y306-Y327 HydrophobicContact CD2-CE2 3.92Å; Y306-Y327 HydrophobicContact CD2-CG 4.37Å; Y306-Y327 AromaticContact CD2-CZ 3.42Å; Y306-Y327 VanDerWaalsContact CD2-CZ 3.42Å; Y306-Y327 HydrophobicContact CE1-CE2 4.37Å; Y306-Y327 AromaticContact CE2-CE1 3.62Å; Y306-Y327 HydrophobicContact CE2-CE1 3.62Å; Y306-Y327 HydrophobicContact CE2-CE2 4.15Å; Y306-Y327 AromaticContact CE2-CZ 3.38Å; Y306-Y327 WeakPolarHBondContact CE2-OH 3.48Å; Y306-Y327 HydrophobicContact CG-CD1 4.43Å; Y306-Y327 HydrophobicContact CG-CD2 4.22Å; Y306-Y327 HydrophobicContact CG-CE1 4.19Å; Y306-Y327 AromaticContact CG-CE2 3.95Å; Y306-Y327 HydrophobicContact CG-CE2 3.95Å; Y306-Y327 HydrophobicContact CG-CG 4.46Å; Y306-Y327 AromaticContact CG-CZ 3.95Å; Y306-Y327 AromaticContact CZ-CZ 3.85Å
307L88.6Confident90.9Very high18 Ų1842.5 Ų42.59%0.09421%0.21CC..THydrogen-bonded Turntrans-67.3-17.8167.6-69.8169.4000113S303 L304 Y305 Y311 F315 V321 I323 L331S303-L307 PolarHBondContact O-N 3.49Å; L304-L307 HydrophobicContact CD2-CD1 4.04Å; L304-L307 WeakPolarHBondContact O-CB 3.22Å; L304-L307 PolarHBondContact O-N 3.28Å; Y305-L307 VanDerWaalsContact C-N 3.25Å; Y305-L307 PolarHBondContact O-N 2.87Å; L307-Y311 HydrophobicContact CB-CG 4.22Å; L307-Y311 HydrophobicContact CD1-CD1 3.96Å; L307-Y311 HydrophobicContact CD1-CE1 4.37Å; L307-Y311 HydrophobicContact CD1-CG 4.04Å; L307-Y311 HydrophobicContact CD2-CD2 4.19Å; L307-Y311 HydrophobicContact CD2-CG 4.37Å; L307-Y311 HydrophobicContact CG-CG 4.48Å; L307-F315 HydrophobicContact CD1-CD1 3.99Å; L307-F315 HydrophobicContact CD1-CE1 3.62Å; L307-V321 HydrophobicContact CD2-CB 3.96Å; L307-V321 HydrophobicContact CD2-CG1 3.73Å; L307-V321 HydrophobicContact CD2-CG2 3.67Å; L307-I323 HydrophobicContact CD2-CD1 3.57Å; L307-I323 HydrophobicContact CD2-CG1 4.44Å; L307-I323 HydrophobicContact CG-CD1 4.14Å; L307-L331 HydrophobicContact CD1-CD1 3.89Å; L307-L331 HydrophobicContact CD1-CD2 3.99Å; L307-L331 HydrophobicContact CD2-CD1 3.87Å; L307-L331 HydrophobicContact CG-CD1 3.83Å
308G89.2Confident90.1Very high21 Ų2146 Ų4622%0.21622%0.22CC..  trans73.6174.6-178.300000114.5W160 Y305 Y306 N310W160-G308 PolarHBondContact NE1-O 3.35Å; Y305-G308 PolarHBondContact O-N 3.36Å; Y306-G308 PolarHBondContact O-N 3.24Å; G308-N310 PolarHBondContact O-N 2.9Å
309P90.1Very high89.1Confident23 Ų2350.5 Ų50.515%0.14924%0.244CC..THydrogen-bonded Turntrans-71.8-17.3-175.929.9-36.5000114.1P127 W160 S287P127-P309 HydrophobicContact CB-CB 3.97Å; P127-P309 HydrophobicContact CG-CB 4.28Å; W160-P309 HydrophobicContact CD2-CB 3.7Å; W160-P309 HydrophobicContact CE3-CB 4.02Å; W160-P309 HydrophobicContact CG-CB 3.94Å; W160-P309 HydrophobicContact CZ2-CB 4.38Å; W160-P309 HydrophobicContact CZ3-CB 4.48Å; S287-P309 PolarHBondContact OG-O 3.11Å
310N88.7Confident88.1Confident82 Ų8249.7 Ų49.744%0.43924%0.24SC..THydrogen-bonded Turntrans-81.3-11.8-179.1-84.6-15.5000114.4P127 D128 G308 Q312P127-N310 VanDerWaalsContact CA-OD1 3.32Å; P127-N310 WeakPolarHBondContact CA-OD1 3.44Å; D128-N310 PolarHBondContact N-OD1 3.29Å; D128-N310 PolarHBondContact OD2-ND2 3.29Å; G308-N310 PolarHBondContact O-N 2.9Å; N310-Q312 PolarHBondContact O-N 3.3Å
311Y90.8Very high87.1Confident20 Ų2049.8 Ų49.88%0.07824%0.243CC..  trans-71.5118.9175.7-170.8-96000111.1Y290 L307 S313 F315 E320 V321Y290-Y311 WeakPolarHBondContact OH-CD1 3.39Å; Y290-Y311 PolarHBondContact OH-O 2.94Å; L307-Y311 HydrophobicContact CB-CG 4.22Å; L307-Y311 HydrophobicContact CD1-CD1 3.96Å; L307-Y311 HydrophobicContact CD1-CE1 4.37Å; L307-Y311 HydrophobicContact CD1-CG 4.04Å; L307-Y311 HydrophobicContact CD2-CD2 4.19Å; L307-Y311 HydrophobicContact CD2-CG 4.37Å; L307-Y311 HydrophobicContact CG-CG 4.48Å; Y311-S313 WeakPolarHBondContact CE1-O 3.45Å; Y311-S313 WeakPolarHBondContact OH-CB 3.24Å; Y311-F315 HydrophobicContact CD1-CD1 4.16Å; Y311-F315 AromaticContact CD1-CE1 3.56Å; Y311-F315 HydrophobicContact CD1-CE1 3.56Å; Y311-F315 HydrophobicContact CD1-CZ 4.2Å; Y311-F315 AromaticContact CE1-CD1 3.38Å; Y311-F315 HydrophobicContact CE1-CD1 3.38Å; Y311-F315 AromaticContact CE1-CE1 3.19Å; Y311-F315 HydrophobicContact CE1-CE1 3.19Å; Y311-F315 HydrophobicContact CE1-CG 4.22Å; Y311-F315 AromaticContact CE1-CZ 3.89Å; Y311-F315 HydrophobicContact CE1-CZ 3.89Å; Y311-F315 AromaticContact CZ-CD1 3.91Å; Y311-F315 VanDerWaalsContact OH-CA 3.31Å; Y311-F315 WeakPolarHBondContact OH-CA 3.43Å; Y311-F315 PolarHBondContact OH-N 3.46Å; Y311-E320 HydrophobicContact CE2-CB 4.2Å; Y311-E320 PolarHBondContact OH-OE2 3.39Å; Y311-V321 HydrophobicContact CD2-CG1 3.54Å; Y311-V321 HydrophobicContact CE2-CG1 4Å; Y311-V321 HydrophobicContact CE2-CG2 4.47Å
312Q90.5Very high85.8Confident7 Ų755.7 Ų55.73%0.03328%0.275CS..  trans-13855.9-176.1-62-164.816.800110.4I129 A288 N310 C345 K347I129-Q312 PolarHBondContact O-NE2 3.24Å; A288-Q312 HydrophobicContact CB-CG 4.13Å; N310-Q312 PolarHBondContact O-N 3.3Å; Q312-C345 VanDerWaalsContact C-SG 3.54Å; Q312-C345 HydrophobicContact CB-CB 4.01Å; Q312-K347 HydrophobicContact CB-CD 3.92Å; Q312-K347 HydrophobicContact CB-CG 4.32Å; Q312-K347 WeakPolarHBondContact O-CE 3.43Å; Q312-K347 PolarHBondContact O-NZ 3.07Å
313S90.6Very high84.9Confident22 Ų2254.7 Ų54.715%0.15427%0.269CS..SBendtrans-140.7-171.3175.7-174.60000110.3Y290 Y311 E320Y290-S313 WeakPolarHBondContact CE1-O 3.46Å; Y290-S313 PolarHBondContact OH-N 3.45Å; Y290-S313 PolarHBondContact OH-O 3.16Å; Y311-S313 WeakPolarHBondContact CE1-O 3.45Å; Y311-S313 WeakPolarHBondContact OH-CB 3.24Å; S313-E320 WeakPolarHBondContact CB-OE1 3.33Å; S313-E320 VanDerWaalsContact CB-OE2 3.25Å; S313-E320 WeakPolarHBondContact CB-OE2 3.48Å; S313-E320 VanDerWaalsContact OG-CD 3.25Å; S313-E320 PolarHBondContact OG-OE1 2.92Å; S313-E320 PolarHBondContact OG-OE2 3.19Å; S313-E320 VanDerWaalsContact OG-OE2 3.06Å
314C90.2Very high84Confident5 Ų558.5 Ų58.53%0.03429%0.294CS..  trans-107.524.7-168.8-57.10000114.2K316 A337 L340C314-K316 HydrophobicContact CB-CD 4.36Å; C314-K316 HydrophobicContact CB-CG 4.22Å; C314-K316 PolarHBondContact O-N 3.24Å; C314-A337 WeakPolarHBondContact O-CB 3.45Å; C314-L340 HydrophobicContact CB-CD1 3.97Å
315F90.5Very high83Confident2 Ų262.8 Ų62.81%0.00933%0.325CS..SBendtrans57.828.8178.5-40.5-74.1000114.7Y290 F292 L304 L307 Y311 F332 L336 A337 L340Y290-F315 AromaticContact CD1-CE2 3.86Å; Y290-F315 HydrophobicContact CD1-CE2 3.86Å; Y290-F315 HydrophobicContact CD1-CZ 4.12Å; Y290-F315 HydrophobicContact CD2-CZ 4.4Å; Y290-F315 AromaticContact CE1-CE2 3.71Å; Y290-F315 HydrophobicContact CE1-CE2 3.71Å; Y290-F315 AromaticContact CE1-CZ 3.77Å; Y290-F315 HydrophobicContact CE1-CZ 3.77Å; Y290-F315 HydrophobicContact CE2-CZ 4.08Å; Y290-F315 HydrophobicContact CG-CE2 4.43Å; Y290-F315 HydrophobicContact CG-CZ 4.41Å; Y290-F315 AromaticContact CZ-CZ 3.73Å; F292-F315 HydrophobicContact CE1-CD2 4.39Å; F292-F315 HydrophobicContact CE1-CE2 4.1Å; F292-F315 HydrophobicContact CZ-CD2 4.44Å; F292-F315 AromaticContact CZ-CE2 3.74Å; F292-F315 HydrophobicContact CZ-CE2 3.74Å; F292-F315 HydrophobicContact CZ-CZ 4.37Å; L304-F315 HydrophobicContact CD2-CD1 4.14Å; L304-F315 HydrophobicContact CD2-CE1 3.28Å; L304-F315 HydrophobicContact CD2-CE2 4.32Å; L304-F315 HydrophobicContact CD2-CZ 3.41Å; L304-F315 VanDerWaalsContact CD2-CZ 3.41Å; L307-F315 HydrophobicContact CD1-CD1 3.99Å; L307-F315 HydrophobicContact CD1-CE1 3.62Å; Y311-F315 HydrophobicContact CD1-CD1 4.16Å; Y311-F315 AromaticContact CD1-CE1 3.56Å; Y311-F315 HydrophobicContact CD1-CE1 3.56Å; Y311-F315 HydrophobicContact CD1-CZ 4.2Å; Y311-F315 AromaticContact CE1-CD1 3.38Å; Y311-F315 HydrophobicContact CE1-CD1 3.38Å; Y311-F315 AromaticContact CE1-CE1 3.19Å; Y311-F315 HydrophobicContact CE1-CE1 3.19Å; Y311-F315 HydrophobicContact CE1-CG 4.22Å; Y311-F315 AromaticContact CE1-CZ 3.89Å; Y311-F315 HydrophobicContact CE1-CZ 3.89Å; Y311-F315 AromaticContact CZ-CD1 3.91Å; Y311-F315 VanDerWaalsContact OH-CA 3.31Å; Y311-F315 WeakPolarHBondContact OH-CA 3.43Å; Y311-F315 PolarHBondContact OH-N 3.46Å; F315-F332 VanDerWaalsContact O-CD1 3.32Å; F315-F332 WeakPolarHBondContact O-CD1 3.32Å; F315-L336 HydrophobicContact CB-CD2 4.26Å; F315-L336 HydrophobicContact CD1-CD2 4.12Å; F315-L336 HydrophobicContact CD2-CD2 4.1Å; F315-L336 HydrophobicContact CD2-CG 4.15Å; F315-L336 HydrophobicContact CG-CD2 3.88Å; F315-L336 HydrophobicContact CG-CG 4.33Å; F315-A337 HydrophobicContact CB-CB 4.44Å; F315-L340 HydrophobicContact CD2-CD1 3.84Å; F315-L340 HydrophobicContact CD2-CG 4.4Å; F315-L340 HydrophobicContact CE2-CD1 4.13Å; F315-L340 HydrophobicContact CE2-CD2 4.26Å
316K82.9Confident82.2Confident76 Ų7662.5 Ų62.533%0.3334%0.337SS..  trans-89.2-40.3-177.2-63.1-179.9-173.7177.30113.3C314 S357 N359C314-K316 HydrophobicContact CB-CD 4.36Å; C314-K316 HydrophobicContact CB-CG 4.22Å; C314-K316 PolarHBondContact O-N 3.24Å; K316-S357 PolarHBondContact NZ-O 3.37Å; K316-N359 WeakPolarHBondContact CE-OD1 3.49Å; K316-N359 PolarHBondContact NZ-OD1 3.05Å
317F81Confident81.9Confident136 Ų13659.8 Ų59.860%0.59633%0.327SS*.  trans-116.5108.2-169.2-59.6-66.4000110.4N319 E320 F332F317-N319 PolarHBondContact O-N 3.37Å; F317-E320 HydrophobicContact CB-CG 3.89Å; F317-E320 WeakPolarHBondContact O-CB 3.44Å; F317-E320 WeakPolarHBondContact O-CG 3.29Å; F317-E320 PolarHBondContact O-N 2.91Å; F317-F332 WeakPolarHBondContact O-CE1 3.35Å
318K75.3Confident81.6Confident115 Ų11560 Ų6050%0.533%0.327SS..G310 helixtrans-55.7-26.8179.6-172.2179.6174.5-175.60113.5E320 L328 F332K318-E320 VanDerWaalsContact C-N 3.26Å; K318-E320 PolarHBondContact O-N 3.28Å; K318-L328 HydrophobicContact CD-CD1 4.49Å; K318-L328 HydrophobicContact CG-CD1 4.34Å; K318-L328 HydrophobicContact CG-CD2 4.27Å; K318-F332 HydrophobicContact CB-CB 4.16Å; K318-F332 HydrophobicContact CB-CD1 4.23Å; K318-F332 HydrophobicContact CB-CD2 4.15Å; K318-F332 HydrophobicContact CB-CG 3.91Å; K318-F332 HydrophobicContact CG-CB 4.45Å; K318-F332 HydrophobicContact CG-CD2 4Å; K318-F332 HydrophobicContact CG-CG 4.22Å
319N72.9Confident81.3Confident159 Ų15966 Ų6685%0.8535%0.347SS*.G310 helixtrans-79-1.9-179.4-58.76.1000113.6F317 V321F317-N319 PolarHBondContact O-N 3.37Å; N319-V321 PolarHBondContact O-N 3.45Å
320E70.9Confident81.2Confident79 Ų7968.9 Ų68.937%0.36936%0.356SS..G310 helixtrans-73.4-12.5175.4-73.8173.4159.900113.6Y311 S313 F317 K318Y311-E320 HydrophobicContact CE2-CB 4.2Å; Y311-E320 PolarHBondContact OH-OE2 3.39Å; S313-E320 WeakPolarHBondContact CB-OE1 3.33Å; S313-E320 VanDerWaalsContact CB-OE2 3.25Å; S313-E320 WeakPolarHBondContact CB-OE2 3.48Å; S313-E320 VanDerWaalsContact OG-CD 3.25Å; S313-E320 PolarHBondContact OG-OE1 2.92Å; S313-E320 PolarHBondContact OG-OE2 3.19Å; S313-E320 VanDerWaalsContact OG-OE2 3.06Å; F317-E320 HydrophobicContact CB-CG 3.89Å; F317-E320 WeakPolarHBondContact O-CB 3.44Å; F317-E320 WeakPolarHBondContact O-CG 3.29Å; F317-E320 PolarHBondContact O-N 2.91Å; K318-E320 VanDerWaalsContact C-N 3.26Å; K318-E320 PolarHBondContact O-N 3.28Å
321V74.4Confident81.2Confident33 Ų3365 Ų6520%0.234%0.335CS..  trans-147.3141.9-169.9-88.80000113.4L307 Y311 N319 F332L307-V321 HydrophobicContact CD2-CB 3.96Å; L307-V321 HydrophobicContact CD2-CG1 3.73Å; L307-V321 HydrophobicContact CD2-CG2 3.67Å; Y311-V321 HydrophobicContact CD2-CG1 3.54Å; Y311-V321 HydrophobicContact CE2-CG1 4Å; Y311-V321 HydrophobicContact CE2-CG2 4.47Å; N319-V321 PolarHBondContact O-N 3.45Å; V321-F332 HydrophobicContact CG2-CE2 3.79Å; V321-F332 HydrophobicContact CG2-CZ 3.52Å
322D69.7Low81Confident125 Ų12565.8 Ų65.867%0.66834%0.339SS*.  trans-103.893173.6-17326.4000109.9P429D322-P429 HydrophobicContact CB-CG 4.42Å; D322-P429 WeakPolarHBondContact OD2-CG 3.39Å
323I74.2Confident80.7Confident24 Ų2469.1 Ų69.112%0.12336%0.357CS..  trans-140.1154.617756.2166.2000110.8Y306 L307 S325 L328 L331Y306-I323 WeakPolarHBondContact O-CG2 3.23Å; L307-I323 HydrophobicContact CD2-CD1 3.57Å; L307-I323 HydrophobicContact CD2-CG1 4.44Å; L307-I323 HydrophobicContact CG-CD1 4.14Å; I323-S325 PolarHBondContact O-N 3.41Å; I323-L328 HydrophobicContact CD1-CD2 3.83Å; I323-L328 HydrophobicContact CG1-CD2 3.46Å; I323-L328 VanDerWaalsContact CG1-CD2 3.46Å; I323-L328 HydrophobicContact CG1-CG 4.05Å; I323-L331 HydrophobicContact CD1-CD1 3.59Å
324P74.9Confident80.4Confident81 Ų8170.2 Ų70.253%0.52637%0.372SS..  trans-54.3140-176.9-27.834.3000114.1A326 Y327 L328P324-A326 PolarHBondContact O-N 3.15Å; P324-Y327 HydrophobicContact CB-CD2 3.9Å; P324-Y327 HydrophobicContact CB-CE2 4.12Å; P324-Y327 HydrophobicContact CG-CD2 4.15Å; P324-Y327 HydrophobicContact CG-CE2 4.16Å; P324-Y327 PolarHBondContact O-N 3Å; P324-L328 PolarHBondContact O-N 3.49Å
325S73.6Confident80.3Confident100 Ų10076.9 Ų76.970%0.69940%0.4SS*.Hα-helixtrans-57.3-25.2-17454.20000114.9I323 Y327 L328I323-S325 PolarHBondContact O-N 3.41Å; S325-Y327 VanDerWaalsContact C-N 3.31Å; S325-Y327 PolarHBondContact O-N 3.43Å; S325-L328 PolarHBondContact O-N 2.94Å
326A78.4Confident80.4Confident66 Ų6676.8 Ų76.855%0.54540%0.4SS..Hα-helixtrans-59.5-36.717300000113.2P324 Y330P324-A326 PolarHBondContact O-N 3.15Å; A326-Y330 WeakPolarHBondContact O-CD2 3.22Å; A326-Y330 WeakPolarHBondContact O-CE2 3.42Å
327Y82.3Confident80.8Confident62 Ų6273.5 Ų73.524%0.24339%0.387CS..Hα-helixtrans-82.6-37.2179.4-59.1-64.8000112S303 Y306 P324 S325 K329 Y330S303-Y327 PolarHBondContact OG-O 3.39Å; Y306-Y327 HydrophobicContact CD1-CE2 4.17Å; Y306-Y327 AromaticContact CD2-CD1 3.9Å; Y306-Y327 HydrophobicContact CD2-CD1 3.9Å; Y306-Y327 HydrophobicContact CD2-CD2 4.37Å; Y306-Y327 AromaticContact CD2-CE1 3.41Å; Y306-Y327 HydrophobicContact CD2-CE1 3.41Å; Y306-Y327 VanDerWaalsContact CD2-CE1 3.41Å; Y306-Y327 AromaticContact CD2-CE2 3.92Å; Y306-Y327 HydrophobicContact CD2-CE2 3.92Å; Y306-Y327 HydrophobicContact CD2-CG 4.37Å; Y306-Y327 AromaticContact CD2-CZ 3.42Å; Y306-Y327 VanDerWaalsContact CD2-CZ 3.42Å; Y306-Y327 HydrophobicContact CE1-CE2 4.37Å; Y306-Y327 AromaticContact CE2-CE1 3.62Å; Y306-Y327 HydrophobicContact CE2-CE1 3.62Å; Y306-Y327 HydrophobicContact CE2-CE2 4.15Å; Y306-Y327 AromaticContact CE2-CZ 3.38Å; Y306-Y327 WeakPolarHBondContact CE2-OH 3.48Å; Y306-Y327 HydrophobicContact CG-CD1 4.43Å; Y306-Y327 HydrophobicContact CG-CD2 4.22Å; Y306-Y327 HydrophobicContact CG-CE1 4.19Å; Y306-Y327 AromaticContact CG-CE2 3.95Å; Y306-Y327 HydrophobicContact CG-CE2 3.95Å; Y306-Y327 HydrophobicContact CG-CG 4.46Å; Y306-Y327 AromaticContact CG-CZ 3.95Å; Y306-Y327 AromaticContact CZ-CZ 3.85Å; P324-Y327 HydrophobicContact CB-CD2 3.9Å; P324-Y327 HydrophobicContact CB-CE2 4.12Å; P324-Y327 HydrophobicContact CG-CD2 4.15Å; P324-Y327 HydrophobicContact CG-CE2 4.16Å; P324-Y327 PolarHBondContact O-N 3Å; S325-Y327 VanDerWaalsContact C-N 3.31Å; S325-Y327 PolarHBondContact O-N 3.43Å; Y327-K329 PolarHBondContact O-N 3.29Å; Y327-K329 VanDerWaalsContact O-N 3.07Å; Y327-Y330 PolarHBondContact O-N 3.11Å
328L82.7Confident81.2Confident21 Ų2168.8 Ų68.811%0.1138%0.377CS..Hα-helixtrans-54.4-32.2-179.3-65175.8000113.3K318 I323 P324 S325 Y330 L331 F332K318-L328 HydrophobicContact CD-CD1 4.49Å; K318-L328 HydrophobicContact CG-CD1 4.34Å; K318-L328 HydrophobicContact CG-CD2 4.27Å; I323-L328 HydrophobicContact CD1-CD2 3.83Å; I323-L328 HydrophobicContact CG1-CD2 3.46Å; I323-L328 VanDerWaalsContact CG1-CD2 3.46Å; I323-L328 HydrophobicContact CG1-CG 4.05Å; P324-L328 PolarHBondContact O-N 3.49Å; S325-L328 PolarHBondContact O-N 2.94Å; L328-Y330 PolarHBondContact O-N 3.16Å; L328-L331 PolarHBondContact O-N 3.43Å; L328-F332 HydrophobicContact CB-CD2 4.49Å; L328-F332 HydrophobicContact CD2-CD2 3.8Å; L328-F332 HydrophobicContact CD2-CE2 3.61Å; L328-F332 PolarHBondContact O-N 3.16Å
329K83.9Confident81.9Confident147 Ų14763.5 Ų63.564%0.63936%0.355SS*.THydrogen-bonded Turntrans-56.5-32.1178-177.3-179.9176.3-1760113.5Y327Y327-K329 PolarHBondContact O-N 3.29Å; Y327-K329 VanDerWaalsContact O-N 3.07Å
330Y87.3Confident83Confident84 Ų8456 Ų5633%0.32931%0.314SS..THydrogen-bonded Turntrans-97.8-0.3-174.9-56.6-78.3000113.6Q299 A326 Y327 L328Q299-Y330 HydrophobicContact CB-CD1 3.79Å; Q299-Y330 HydrophobicContact CB-CD2 4.16Å; Q299-Y330 HydrophobicContact CB-CE1 3.77Å; Q299-Y330 HydrophobicContact CB-CE2 4.14Å; Q299-Y330 HydrophobicContact CB-CG 4Å; Q299-Y330 HydrophobicContact CG-CE1 4.14Å; A326-Y330 WeakPolarHBondContact O-CD2 3.22Å; A326-Y330 WeakPolarHBondContact O-CE2 3.42Å; Y327-Y330 PolarHBondContact O-N 3.11Å; L328-Y330 PolarHBondContact O-N 3.16Å
331L88.8Confident84Confident0 Ų052.2 Ų52.20%030%0.297CS..THydrogen-bonded Turntrans-112-44.3-174.5-64.7171.1000112.7L304 L307 I323 L328 L336L304-L331 HydrophobicContact CD2-CD2 3.89Å; L304-L331 HydrophobicContact CG-CD2 4.05Å; L307-L331 HydrophobicContact CD1-CD1 3.89Å; L307-L331 HydrophobicContact CD1-CD2 3.99Å; L307-L331 HydrophobicContact CD2-CD1 3.87Å; L307-L331 HydrophobicContact CG-CD1 3.83Å; I323-L331 HydrophobicContact CD1-CD1 3.59Å; L328-L331 PolarHBondContact O-N 3.43Å; L331-L336 HydrophobicContact CB-CD2 4.43Å; L331-L336 HydrophobicContact CD2-CD2 3.6Å
332F87.2Confident85Confident38 Ų3850.6 Ų50.617%0.16729%0.287CS..SBendtrans-111.325-169.1-59.2-77000113.2F315 F317 K318 V321 L328 G334F315-F332 VanDerWaalsContact O-CD1 3.32Å; F315-F332 WeakPolarHBondContact O-CD1 3.32Å; F317-F332 WeakPolarHBondContact O-CE1 3.35Å; K318-F332 HydrophobicContact CB-CB 4.16Å; K318-F332 HydrophobicContact CB-CD1 4.23Å; K318-F332 HydrophobicContact CB-CD2 4.15Å; K318-F332 HydrophobicContact CB-CG 3.91Å; K318-F332 HydrophobicContact CG-CB 4.45Å; K318-F332 HydrophobicContact CG-CD2 4Å; K318-F332 HydrophobicContact CG-CG 4.22Å; V321-F332 HydrophobicContact CG2-CE2 3.79Å; V321-F332 HydrophobicContact CG2-CZ 3.52Å; L328-F332 HydrophobicContact CB-CD2 4.49Å; L328-F332 HydrophobicContact CD2-CD2 3.8Å; L328-F332 HydrophobicContact CD2-CE2 3.61Å; L328-F332 PolarHBondContact O-N 3.16Å; F332-G334 PolarHBondContact O-N 3.18Å
333D83.6Confident86.2Confident77 Ų7744.7 Ų44.741%0.41226%0.255SS..SBendtrans-82.93.4174.777.5-20000113.4K335D333-K335 PolarHBondContact O-N 2.91Å; D333-K335 WeakPolarHBondContact OD1-CB 3.5Å; D333-K335 PolarHBondContact OD1-N 3.5Å; D333-K335 VanDerWaalsContact OD2-CD 3.31Å; D333-K335 WeakPolarHBondContact OD2-CD 3.37Å; D333-K335 WeakPolarHBondContact OD2-CG 3.37Å
334G84.9Confident87.2Confident45 Ų4543.5 Ų43.546%0.46425%0.249SC..SBendtrans81.1-21.2-176.600000114.5F332 G338F332-G334 PolarHBondContact O-N 3.18Å; G334-G338 PolarHBondContact O-N 3.41Å
335K88.2Confident88.2Confident144 Ų14439.7 Ų39.763%0.62622%0.224SC*.Hα-helixtrans-70.3-45.7-178.7-60.4-176.2-173.7173.90111.6D333 A337 G338 S339D333-K335 PolarHBondContact O-N 2.91Å; D333-K335 WeakPolarHBondContact OD1-CB 3.5Å; D333-K335 PolarHBondContact OD1-N 3.5Å; D333-K335 VanDerWaalsContact OD2-CD 3.31Å; D333-K335 WeakPolarHBondContact OD2-CD 3.37Å; D333-K335 WeakPolarHBondContact OD2-CG 3.37Å; K335-A337 PolarHBondContact O-N 2.74Å; K335-G338 PolarHBondContact O-N 3.18Å; K335-S339 PolarHBondContact O-N 3.02Å; K335-S339 PolarHBondContact O-OG 2.92Å
336L90.9Very high89.2Confident0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-61.8-43.9178.2-174.466.5000111.8F292 L296 L304 F315 L331 G338 S339 L340F292-L336 HydrophobicContact CD1-CD1 3.93Å; F292-L336 HydrophobicContact CE1-CD1 3.38Å; F292-L336 HydrophobicContact CE1-CG 3.81Å; F292-L336 WeakPolarHBondContact CE1-O 3.25Å; F292-L336 HydrophobicContact CZ-CD1 3.85Å; F292-L336 HydrophobicContact CZ-CG 4.37Å; L296-L336 HydrophobicContact CD2-CD1 3.44Å; L296-L336 VanDerWaalsContact CD2-CD1 3.44Å; L304-L336 HydrophobicContact CD2-CD2 4.14Å; F315-L336 HydrophobicContact CB-CD2 4.26Å; F315-L336 HydrophobicContact CD1-CD2 4.12Å; F315-L336 HydrophobicContact CD2-CD2 4.1Å; F315-L336 HydrophobicContact CD2-CG 4.15Å; F315-L336 HydrophobicContact CG-CD2 3.88Å; F315-L336 HydrophobicContact CG-CG 4.33Å; L331-L336 HydrophobicContact CB-CD2 4.43Å; L331-L336 HydrophobicContact CD2-CD2 3.6Å; L336-G338 VanDerWaalsContact C-N 3.35Å; L336-S339 PolarHBondContact O-N 3.23Å; L336-S339 PolarHBondContact O-OG 2.94Å; L336-L340 PolarHBondContact O-N 3.31Å
337A91Very high89.7Confident7 Ų737.2 Ų37.26%0.05819%0.189CC..Hα-helixtrans-67.4-35.5174.800000112.3C314 F315 K335 L340 N362C314-A337 WeakPolarHBondContact O-CB 3.45Å; F315-A337 HydrophobicContact CB-CB 4.44Å; K335-A337 PolarHBondContact O-N 2.74Å; A337-L340 PolarHBondContact O-N 3.5Å; A337-N362 PolarHBondContact O-ND2 3.37Å; A337-N362 VanDerWaalsContact O-ND2 3.08Å
338G89.8Confident90.1Very high38 Ų3836.3 Ų36.339%0.39219%0.188SC..Hα-helixtrans-67.6-32.1176.100000113.7G334 K335 L336 N362G334-G338 PolarHBondContact O-N 3.41Å; K335-G338 PolarHBondContact O-N 3.18Å; L336-G338 VanDerWaalsContact C-N 3.35Å; G338-N362 PolarHBondContact O-ND2 3.32Å; G338-N362 PolarHBondContact O-OD1 2.79Å
339S91.5Very high90.6Very high4 Ų437 Ų373%0.02819%0.194CC..THydrogen-bonded Turntrans-84.3-4.4176.564.10000114.6F292 S293 K335 L336 V341F292-S339 CarbonylContact C-O 3.52Å; F292-S339 WeakPolarHBondContact CA-O 3.33Å; S293-S339 PolarHBondContact N-O 3.33Å; S293-S339 PolarHBondContact OG-O 2.85Å; K335-S339 PolarHBondContact O-N 3.02Å; K335-S339 PolarHBondContact O-OG 2.92Å; L336-S339 PolarHBondContact O-N 3.23Å; L336-S339 PolarHBondContact O-OG 2.94Å; S339-V341 PolarHBondContact O-N 3.35Å
340L94.2Very high90.7Very high0 Ų034.4 Ų34.40%019%0.188CC..EExtended strand (participates in β ladder)trans-64.4121.3176.5-83.8173.4000112.2Y290 F292 C314 F315 L336 A337 A343 V358 N362Y290-L340 HydrophobicContact CD1-CD2 3.86Å; F292-L340 HydrophobicContact CD1-CD2 3.69Å; F292-L340 HydrophobicContact CD1-CG 3.94Å; F292-L340 HydrophobicContact CE1-CD2 3.3Å; F292-L340 HydrophobicContact CE1-CG 3.6Å; F292-L340 HydrophobicContact CE2-CD2 4.3Å; F292-L340 HydrophobicContact CG-CD2 4.35Å; F292-L340 HydrophobicContact CZ-CD2 3.66Å; F292-L340 HydrophobicContact CZ-CG 4.38Å; C314-L340 HydrophobicContact CB-CD1 3.97Å; F315-L340 HydrophobicContact CD2-CD1 3.84Å; F315-L340 HydrophobicContact CD2-CG 4.4Å; F315-L340 HydrophobicContact CE2-CD1 4.13Å; F315-L340 HydrophobicContact CE2-CD2 4.26Å; L336-L340 PolarHBondContact O-N 3.31Å; A337-L340 PolarHBondContact O-N 3.5Å; L340-A343 HydrophobicContact CD1-CB 4.38Å; L340-V358 HydrophobicContact CB-CG1 3.4Å; L340-V358 HydrophobicContact CD1-CG1 4.08Å; L340-V358 HydrophobicContact CG-CG1 4.4Å; L340-N362 VanDerWaalsContact O-CB 3.31Å; L340-N362 WeakPolarHBondContact O-CB 3.17Å; L340-N362 PolarHBondContact O-ND2 2.8Å
341V93.1Very high90.7Very high0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-78-49.4165.9-179.30000109.7L146 L291 S339 H365 F366L146-V341 HydrophobicContact CD2-CG1 3.9Å; L291-V341 HydrophobicContact CB-CB 4.27Å; L291-V341 HydrophobicContact CD2-CB 4.1Å; L291-V341 HydrophobicContact CD2-CG1 4.06Å; L291-V341 HydrophobicContact CD2-CG2 4.39Å; L291-V341 HydrophobicContact CG-CB 4.11Å; L291-V341 HydrophobicContact CG-CG2 4.26Å; L291-V341 WeakPolarHBondContact O-CB 3.45Å; L291-V341 PolarHBondContact O-N 3.14Å; S339-V341 PolarHBondContact O-N 3.35Å; V341-H365 HydrophobicContact CG1-CB 3.89Å; V341-F366 WeakPolarHBondContact O-CE2 3.18Å
342F94.5Very high90.8Very high0 Ų045.5 Ų45.50%023%0.233CC..EExtended strand (participates in β ladder)trans-148.7157.3174.462.7-114.6000112.4I143 F181 L289 L291 Y344 N356 F366I143-F342 HydrophobicContact CD1-CE1 3.68Å; I143-F342 HydrophobicContact CD1-CE2 4.28Å; I143-F342 HydrophobicContact CD1-CZ 3.51Å; I143-F342 HydrophobicContact CG2-CD1 4.44Å; I143-F342 HydrophobicContact CG2-CE1 4.2Å; F181-F342 HydrophobicContact CZ-CZ 4.34Å; L289-F342 HydrophobicContact CB-CE2 4.29Å; L291-F342 HydrophobicContact CB-CD1 3.83Å; L291-F342 HydrophobicContact CB-CD2 4.02Å; L291-F342 HydrophobicContact CB-CE1 3.48Å; L291-F342 VanDerWaalsContact CB-CE1 3.48Å; L291-F342 HydrophobicContact CB-CE2 3.67Å; L291-F342 HydrophobicContact CB-CG 4.1Å; L291-F342 HydrophobicContact CB-CZ 3.39Å; L291-F342 HydrophobicContact CD2-CD1 3.95Å; L291-F342 HydrophobicContact CD2-CE1 3.39Å; L291-F342 HydrophobicContact CD2-CZ 3.99Å; L291-F342 HydrophobicContact CG-CE1 4.06Å; L291-F342 HydrophobicContact CG-CZ 4.28Å; L291-F342 PolarHBondContact N-O 3.37Å; L291-F342 PolarHBondContact O-N 3.23Å; F342-Y344 HydrophobicContact CB-CD2 4.12Å; F342-Y344 HydrophobicContact CB-CE2 3.65Å; F342-Y344 HydrophobicContact CD1-CD2 4.34Å; F342-Y344 AromaticContact CD1-CE2 3.67Å; F342-Y344 HydrophobicContact CD1-CE2 3.67Å; F342-Y344 AromaticContact CD2-CD2 3.24Å; F342-Y344 HydrophobicContact CD2-CD2 3.24Å; F342-Y344 AromaticContact CD2-CE2 3.43Å; F342-Y344 HydrophobicContact CD2-CE2 3.43Å; F342-Y344 VanDerWaalsContact CD2-CE2 3.43Å; F342-Y344 HydrophobicContact CD2-CG 4.15Å; F342-Y344 HydrophobicContact CE1-CE2 4.08Å; F342-Y344 AromaticContact CE2-CD2 3.59Å; F342-Y344 HydrophobicContact CE2-CD2 3.59Å; F342-Y344 AromaticContact CE2-CE2 3.89Å; F342-Y344 HydrophobicContact CE2-CE2 3.89Å; F342-Y344 AromaticContact CG-CD2 3.67Å; F342-Y344 HydrophobicContact CG-CD2 3.67Å; F342-Y344 AromaticContact CG-CE2 3.31Å; F342-Y344 HydrophobicContact CG-CE2 3.31Å; F342-Y344 HydrophobicContact CZ-CD2 4.26Å; F342-Y344 HydrophobicContact CZ-CE2 4.19Å; F342-N356 WeakPolarHBondContact CB-ND2 3.48Å; F342-F366 HydrophobicContact CB-CE2 4.39Å; F342-F366 HydrophobicContact CB-CZ 4.14Å; F342-F366 HydrophobicContact CD1-CZ 4.31Å
343A95.1Very high91Very high0 Ų047.4 Ų47.40%025%0.245CC..EExtended strand (participates in β ladder)trans-137.287.3172.100000109Y290 L340 N356Y290-A343 HydrophobicContact CD1-CB 3.77Å; Y290-A343 HydrophobicContact CE1-CB 3.67Å; L340-A343 HydrophobicContact CD1-CB 4.38Å; A343-N356 PolarHBondContact N-OD1 2.86Å
344Y96.2Very high91.4Very high0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-89.1108.6179.4-65.3-57000109.4I143 P144 A288 L289 F342 C354 N356 F366 T370 A372I143-Y344 HydrophobicContact CD1-CD2 4.31Å; I143-Y344 HydrophobicContact CD1-CE2 3.96Å; I143-Y344 HydrophobicContact CG1-CE2 4.03Å; I143-Y344 HydrophobicContact CG2-CE2 4.1Å; P144-Y344 WeakPolarHBondContact CD-OH 3.47Å; A288-Y344 WeakPolarHBondContact CA-O 3.35Å; L289-Y344 PolarHBondContact N-O 2.97Å; L289-Y344 PolarHBondContact O-N 3.22Å; F342-Y344 HydrophobicContact CB-CD2 4.12Å; F342-Y344 HydrophobicContact CB-CE2 3.65Å; F342-Y344 HydrophobicContact CD1-CD2 4.34Å; F342-Y344 AromaticContact CD1-CE2 3.67Å; F342-Y344 HydrophobicContact CD1-CE2 3.67Å; F342-Y344 AromaticContact CD2-CD2 3.24Å; F342-Y344 HydrophobicContact CD2-CD2 3.24Å; F342-Y344 AromaticContact CD2-CE2 3.43Å; F342-Y344 HydrophobicContact CD2-CE2 3.43Å; F342-Y344 VanDerWaalsContact CD2-CE2 3.43Å; F342-Y344 HydrophobicContact CD2-CG 4.15Å; F342-Y344 HydrophobicContact CE1-CE2 4.08Å; F342-Y344 AromaticContact CE2-CD2 3.59Å; F342-Y344 HydrophobicContact CE2-CD2 3.59Å; F342-Y344 AromaticContact CE2-CE2 3.89Å; F342-Y344 HydrophobicContact CE2-CE2 3.89Å; F342-Y344 AromaticContact CG-CD2 3.67Å; F342-Y344 HydrophobicContact CG-CD2 3.67Å; F342-Y344 AromaticContact CG-CE2 3.31Å; F342-Y344 HydrophobicContact CG-CE2 3.31Å; F342-Y344 HydrophobicContact CZ-CD2 4.26Å; F342-Y344 HydrophobicContact CZ-CE2 4.19Å; Y344-C354 VanDerWaalsContact CB-SG 3.6Å; Y344-C354 HydrophobicContact CD1-CB 4.38Å; Y344-N356 HydrophobicContact CD1-CB 4.21Å; Y344-N356 HydrophobicContact CE1-CB 3.7Å; Y344-F366 WeakPolarHBondContact OH-CZ 3.47Å; Y344-T370 WeakPolarHBondContact CE1-O 3.32Å; Y344-T370 PolarHBondContact OH-O 3.28Å; Y344-A372 HydrophobicContact CD1-CB 3.9Å; Y344-A372 HydrophobicContact CD2-CB 4.29Å; Y344-A372 HydrophobicContact CE1-CB 3.56Å; Y344-A372 HydrophobicContact CE2-CB 4Å; Y344-A372 HydrophobicContact CG-CB 4.27Å
345C94.8Very high91.8Very high0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-109.2130.4-174.6-65.20000110.5Q312 K347 N348Q312-C345 VanDerWaalsContact C-SG 3.54Å; Q312-C345 HydrophobicContact CB-CB 4.01Å; C345-K347 HydrophobicContact CB-CG 4.39Å; C345-K347 PolarHBondContact O-N 2.95Å; C345-K347 VanDerWaalsContact O-N 3.14Å; C345-N348 HydrophobicContact CB-CB 4.26Å; C345-N348 PolarHBondContact O-N 3Å
346P94.2Very high91.8Very high2 Ų238.3 Ų38.31%0.01319%0.192CC..EExtended strand (participates in β ladder)trans-47-41.9175.5-29.932.2000114.2I129 F131 N348 C349 V380I129-P346 HydrophobicContact CB-CB 4.37Å; I129-P346 HydrophobicContact CG2-CB 3.67Å; F131-P346 HydrophobicContact CD2-CG 3.73Å; F131-P346 HydrophobicContact CE1-CB 4.4Å; F131-P346 HydrophobicContact CE1-CG 4.42Å; F131-P346 HydrophobicContact CE2-CB 4.4Å; F131-P346 HydrophobicContact CE2-CG 3.6Å; F131-P346 HydrophobicContact CG-CG 4.21Å; F131-P346 HydrophobicContact CZ-CB 4.29Å; F131-P346 HydrophobicContact CZ-CG 3.97Å; P346-N348 PolarHBondContact O-N 3.15Å; P346-C349 PolarHBondContact O-N 3.22Å; P346-C349 PolarHBondContact O-SG 3.43Å; P346-V380 HydrophobicContact CB-CG1 4.17Å
347K89.3Confident91.3Very high112 Ų11240.8 Ų40.849%0.48721%0.209SC..EExtended strand (participates in β ladder)trans-68-15.7178.679.6179.9-171.7-170.20115.2I129 Q312 C345I129-K347 HydrophobicContact CD1-CB 3.82Å; Q312-K347 HydrophobicContact CB-CD 3.92Å; Q312-K347 HydrophobicContact CB-CG 4.32Å; Q312-K347 WeakPolarHBondContact O-CE 3.43Å; Q312-K347 PolarHBondContact O-NZ 3.07Å; C345-K347 HydrophobicContact CB-CG 4.39Å; C345-K347 PolarHBondContact O-N 2.95Å; C345-K347 VanDerWaalsContact O-N 3.14Å
348N91.6Very high91.1Very high43 Ų4340.7 Ų40.723%0.2321%0.208CC..EExtended strand (participates in β ladder)trans-100.832.1-178.3-65.9-10.5000111.3C345 P346 L355 S357C345-N348 HydrophobicContact CB-CB 4.26Å; C345-N348 PolarHBondContact O-N 3Å; P346-N348 PolarHBondContact O-N 3.15Å; N348-L355 HydrophobicContact CB-CB 4.42Å; N348-L355 VanDerWaalsContact O-CB 3.28Å; N348-L355 WeakPolarHBondContact O-CB 3.32Å; N348-L355 WeakPolarHBondContact O-CG 3.16Å; N348-L355 PolarHBondContact O-N 3.18Å; N348-S357 PolarHBondContact ND2-OG 3.09Å
349C92Very high90.6Very high35 Ų3542 Ų4224%0.23621%0.206CC..EExtended strand (participates in β ladder)trans-103.9141179.9-63.70000112.1P346 L353 C354 M374 V380P346-C349 PolarHBondContact O-N 3.22Å; P346-C349 PolarHBondContact O-SG 3.43Å; C349-L353 CarbonylContact C-O 3.26Å; C349-L353 WeakPolarHBondContact CA-O 3.46Å; C349-C354 VanDerWaalsContact SG-SG 3.62Å; C349-M374 HydrophobicContact CB-CE 3.76Å; C349-V380 HydrophobicContact CB-CG2 3.89Å
350D86.7Confident90Very high93 Ų9350.4 Ų50.450%0.49724%0.242SC..EExtended strand (participates in β ladder)trans-126112.8168.2178.622.5000109.2Q352 L353D350-Q352 PolarHBondContact O-N 3.49Å; D350-L353 PolarHBondContact N-O 3.38Å; D350-L353 PolarHBondContact O-N 2.8Å
351R87.3Confident89.1Confident224 Ų22457.7 Ų57.785%0.84528%0.276SS*.THydrogen-bonded Turntrans53.2-97-175.1-61.5168.1-178.9169.80.3112.8M374R351-M374 WeakPolarHBondContact O-CE 3.33Å
352Q89.9Confident88.5Confident93 Ų9358.4 Ų58.444%0.43528%0.279SS..THydrogen-bonded Turntrans-108.9-2.6179.7-64.4-65.53.400112.9D350 V373 M374D350-Q352 PolarHBondContact O-N 3.49Å; Q352-V373 CarbonylContact O-C 3.53Å; Q352-V373 WeakPolarHBondContact O-CA 3.15Å; Q352-M374 PolarHBondContact O-N 2.95Å; Q352-M374 PolarHBondContact OE1-O 3.3Å; Q352-M374 VanDerWaalsContact OE1-O 3.06Å
353L91.9Very high87.7Confident79 Ų7961.4 Ų61.441%0.41429%0.294SS..EExtended strand (participates in β ladder)trans-95.8131.1177.8-72.8164000110.1C349 D350 V373C349-L353 CarbonylContact C-O 3.26Å; C349-L353 WeakPolarHBondContact CA-O 3.46Å; D350-L353 PolarHBondContact N-O 3.38Å; D350-L353 PolarHBondContact O-N 2.8Å; L353-V373 HydrophobicContact CD2-CG2 4.19Å
354C93Very high87Confident0 Ų064.9 Ų64.90%032%0.315CS..EExtended strand (participates in β ladder)trans-103.6111.4165.2-176.60000109.1Y344 C349 H371 A372Y344-C354 VanDerWaalsContact CB-SG 3.6Å; Y344-C354 HydrophobicContact CD1-CB 4.38Å; C349-C354 VanDerWaalsContact SG-SG 3.62Å; C354-H371 CarbonylContact O-C 3.5Å; C354-H371 WeakPolarHBondContact O-CA 3.43Å; C354-A372 HydrophobicContact CB-CB 4.33Å; C354-A372 PolarHBondContact N-O 3.36Å; C354-A372 PolarHBondContact O-N 2.96Å
355L91.7Very high86.4Confident66 Ų6666 Ų6635%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-71.6155.6-177.4-55.1177.1000111.2N348 H371N348-L355 HydrophobicContact CB-CB 4.42Å; N348-L355 VanDerWaalsContact O-CB 3.28Å; N348-L355 WeakPolarHBondContact O-CB 3.32Å; N348-L355 WeakPolarHBondContact O-CG 3.16Å; N348-L355 PolarHBondContact O-N 3.18Å; L355-H371 HydrophobicContact CD2-CB 4.41Å
356N88.3Confident86Confident8 Ų866.7 Ų66.74%0.04332%0.323CS..EExtended strand (participates in β ladder)trans-124.2118.7-177.5-165.38.1000109.4F342 A343 Y344 V358 F366 T370 H371F342-N356 WeakPolarHBondContact CB-ND2 3.48Å; A343-N356 PolarHBondContact N-OD1 2.86Å; Y344-N356 HydrophobicContact CD1-CB 4.21Å; Y344-N356 HydrophobicContact CE1-CB 3.7Å; N356-V358 WeakPolarHBondContact OD1-CG2 3.46Å; N356-F366 WeakPolarHBondContact ND2-CE2 3.37Å; N356-T370 WeakPolarHBondContact CB-O 3.36Å; N356-T370 PolarHBondContact ND2-O 3.03Å; N356-T370 VanDerWaalsContact ND2-O 3.15Å; N356-H371 PolarHBondContact N-ND1 2.8Å; N356-H371 VanDerWaalsContact N-ND1 3.18Å
357S82Confident84.8Confident52 Ų5275.6 Ų75.636%0.36436%0.356SS..  trans-107.414.8-166.1-52.50000114.4K316 N348K316-S357 PolarHBondContact NZ-O 3.37Å; N348-S357 PolarHBondContact ND2-OG 3.09Å
358V86.5Confident84.1Confident6 Ų679.2 Ų79.24%0.03638%0.375CS..  trans-63160.4176.7-128.90000112.7L340 N356 N362 Q363L340-V358 HydrophobicContact CB-CG1 3.4Å; L340-V358 HydrophobicContact CD1-CG1 4.08Å; L340-V358 HydrophobicContact CG-CG1 4.4Å; N356-V358 WeakPolarHBondContact OD1-CG2 3.46Å; V358-N362 HydrophobicContact CB-CB 4.45Å; V358-N362 HydrophobicContact CG1-CB 4.14Å; V358-Q363 PolarHBondContact O-NE2 3.06Å
359N79.2Confident83.7Confident64 Ų6481.4 Ų81.434%0.34239%0.39SS..  trans-57.5145.7174.3-80.1-8.4000111.9K316 E361 N362 Q363K316-N359 WeakPolarHBondContact CE-OD1 3.49Å; K316-N359 PolarHBondContact NZ-OD1 3.05Å; N359-E361 PolarHBondContact O-N 3.02Å; N359-N362 PolarHBondContact O-N 3.09Å; N359-Q363 PolarHBondContact O-N 3.29Å
360K77.6Confident83.5Confident181 Ų18180.5 Ų80.579%0.78738%0.383SS*.THydrogen-bonded Turntrans-56.9-33.1178.2-69.3-174.5177.1-177.80112.7N362 Q363K360-N362 VanDerWaalsContact C-N 3.27Å; K360-N362 PolarHBondContact O-N 3.19Å; K360-Q363 WeakPolarHBondContact O-CB 3.49Å; K360-Q363 PolarHBondContact O-N 3.48Å; K360-Q363 VanDerWaalsContact O-N 3.17Å
361E76.8Confident83.8Confident154 Ų15479.4 Ų79.472%0.7238%0.375SS*.THydrogen-bonded Turntrans-59.1-36.5175.4-65.6173.7175.500112.4N359 V364N359-E361 PolarHBondContact O-N 3.02Å; E361-V364 WeakPolarHBondContact O-CG1 3.36Å; E361-V364 WeakPolarHBondContact O-CG2 3.25Å
362N79.7Confident84.1Confident14 Ų1468.7 Ų68.78%0.07534%0.335CS..G310 helixtrans-83.8-17.8179.5-59.122000112.5A337 G338 L340 V358 N359 K360 V364 H365A337-N362 PolarHBondContact O-ND2 3.37Å; A337-N362 VanDerWaalsContact O-ND2 3.08Å; G338-N362 PolarHBondContact O-ND2 3.32Å; G338-N362 PolarHBondContact O-OD1 2.79Å; L340-N362 VanDerWaalsContact O-CB 3.31Å; L340-N362 WeakPolarHBondContact O-CB 3.17Å; L340-N362 PolarHBondContact O-ND2 2.8Å; V358-N362 HydrophobicContact CB-CB 4.45Å; V358-N362 HydrophobicContact CG1-CB 4.14Å; N359-N362 PolarHBondContact O-N 3.09Å; K360-N362 VanDerWaalsContact C-N 3.27Å; K360-N362 PolarHBondContact O-N 3.19Å; N362-V364 PolarHBondContact O-N 3.39Å; N362-H365 PolarHBondContact O-CD2 3.23Å; N362-H365 VanDerWaalsContact O-CD2 3.22Å; N362-H365 PolarHBondContact O-N 2.98Å
363Q77.8Confident84.3Confident63 Ų6367.3 Ų67.329%0.29433%0.332SS..G310 helixtrans-65.4-9178.2-64.6176.19.400112.4V358 N359 K360 H365 F366 T370V358-Q363 PolarHBondContact O-NE2 3.06Å; N359-Q363 PolarHBondContact O-N 3.29Å; K360-Q363 WeakPolarHBondContact O-CB 3.49Å; K360-Q363 PolarHBondContact O-N 3.48Å; K360-Q363 VanDerWaalsContact O-N 3.17Å; Q363-H365 PolarHBondContact O-N 3.29Å; Q363-H365 VanDerWaalsContact O-N 3.13Å; Q363-F366 PolarHBondContact O-N 3.2Å; Q363-T370 HydrophobicContact CB-CG2 3.98Å; Q363-T370 HydrophobicContact CG-CG2 3.9Å
364V80.4Confident84.4Confident73 Ų7363.9 Ų63.944%0.44231%0.314SS..G310 helixtrans-58.8-14.7169.3-600000114.8E361 N362 F366E361-V364 WeakPolarHBondContact O-CG1 3.36Å; E361-V364 WeakPolarHBondContact O-CG2 3.25Å; N362-V364 PolarHBondContact O-N 3.39Å; V364-F366 VanDerWaalsContact C-N 3.26Å
365H83.9Confident84.4Confident24 Ų2466.3 Ų66.311%0.11133%0.326CS..G310 helixtrans-70.8-22.8168.8-69.6-62.4000112.4S147 V341 N362 Q363S147-H365 WeakPolarHBondContact CA-O 3.44Å; S147-H365 PolarHBondContact N-O 3.49Å; S147-H365 CarbonylContact O-C 3.59Å; S147-H365 WeakPolarHBondContact O-CA 3.49Å; S147-H365 PolarHBondContact OG-O 2.82Å; V341-H365 HydrophobicContact CG1-CB 3.89Å; N362-H365 PolarHBondContact O-CD2 3.23Å; N362-H365 VanDerWaalsContact O-CD2 3.22Å; N362-H365 PolarHBondContact O-N 2.98Å; Q363-H365 PolarHBondContact O-N 3.29Å; Q363-H365 VanDerWaalsContact O-N 3.13Å
366F86.5Confident84.1Confident15 Ų1569.9 Ų69.97%0.06635%0.346CS..BIsolated β-bridgetrans-103.8150.3178.6-64.1-82.7000111.8I143 P144 L146 V341 F342 Y344 N356 Q363 V364 T369 T370I143-F366 HydrophobicContact CG2-CE1 4.47Å; P144-F366 HydrophobicContact CB-CD1 3.96Å; P144-F366 HydrophobicContact CB-CE1 4.09Å; P144-F366 HydrophobicContact CG-CD1 4.45Å; P144-F366 HydrophobicContact CG-CE1 4.26Å; L146-F366 HydrophobicContact CD2-CD1 3.99Å; L146-F366 HydrophobicContact CD2-CE1 3.41Å; L146-F366 VanDerWaalsContact CD2-CE1 3.41Å; L146-F366 HydrophobicContact CD2-CE2 4.28Å; L146-F366 HydrophobicContact CD2-CZ 3.59Å; V341-F366 WeakPolarHBondContact O-CE2 3.18Å; F342-F366 HydrophobicContact CB-CE2 4.39Å; F342-F366 HydrophobicContact CB-CZ 4.14Å; F342-F366 HydrophobicContact CD1-CZ 4.31Å; Y344-F366 WeakPolarHBondContact OH-CZ 3.47Å; N356-F366 WeakPolarHBondContact ND2-CE2 3.37Å; Q363-F366 PolarHBondContact O-N 3.2Å; V364-F366 VanDerWaalsContact C-N 3.26Å; F366-T369 WeakPolarHBondContact CD1-O 3.42Å; F366-T370 HydrophobicContact CB-CG2 3.84Å; F366-T370 HydrophobicContact CD2-CG2 3.79Å; F366-T370 HydrophobicContact CG-CG2 3.93Å
367R68.9Low84Confident188 Ų18870.8 Ų70.871%0.70936%0.357SS*.SBendtrans-95.7-30.9-175.2-159.4177.5-174.4175.5-0.5114.8
368Q74.1Confident84.4Confident188 Ų18868.9 Ų68.988%0.87934%0.343SS*.SBendtrans-143.1-66.2-177.1-74.2-179.3-2600111.1
369T83Confident84.6Confident89 Ų8973.9 Ų73.955%0.54636%0.361SS..  trans-106.7140178.850.70000110.7P144 F366P144-T369 VanDerWaalsContact CB-O 3.25Å; P144-T369 WeakPolarHBondContact CB-O 3.3Å; F366-T369 WeakPolarHBondContact CD1-O 3.42Å
370T88.4Confident85.3Confident16 Ų1673 Ų7310%0.09836%0.359CS..  trans-103.8-12.9178.859.30000112.5Y344 N356 Q363 F366Y344-T370 WeakPolarHBondContact CE1-O 3.32Å; Y344-T370 PolarHBondContact OH-O 3.28Å; N356-T370 WeakPolarHBondContact CB-O 3.36Å; N356-T370 PolarHBondContact ND2-O 3.03Å; N356-T370 VanDerWaalsContact ND2-O 3.15Å; Q363-T370 HydrophobicContact CB-CG2 3.98Å; Q363-T370 HydrophobicContact CG-CG2 3.9Å; F366-T370 HydrophobicContact CB-CG2 3.84Å; F366-T370 HydrophobicContact CD2-CG2 3.79Å; F366-T370 HydrophobicContact CG-CG2 3.93Å
371H92.7Very high85.9Confident70 Ų7065.3 Ų65.332%0.32433%0.327SS..  trans-89.9132.7-174.1-53.1-27.2000110.7P144 C354 L355 N356P144-H371 WeakPolarHBondContact CG-O 3.15Å; C354-H371 CarbonylContact O-C 3.5Å; C354-H371 WeakPolarHBondContact O-CA 3.43Å; L355-H371 HydrophobicContact CD2-CB 4.41Å; N356-H371 PolarHBondContact N-ND1 2.8Å; N356-H371 VanDerWaalsContact N-ND1 3.18Å
372A94.6Very high86.5Confident0 Ų061.9 Ų61.90%032%0.316CS..EExtended strand (participates in β ladder)trans-81.9161.9178.500000111.5I141 H142 I143 Y344 C354I141-A372 HydrophobicContact CG2-CB 3.73Å; H142-A372 WeakPolarHBondContact O-CA 3.34Å; H142-A372 WeakPolarHBondContact O-CB 3.25Å; I143-A372 HydrophobicContact CG1-CB 4.48Å; Y344-A372 HydrophobicContact CD1-CB 3.9Å; Y344-A372 HydrophobicContact CD2-CB 4.29Å; Y344-A372 HydrophobicContact CE1-CB 3.56Å; Y344-A372 HydrophobicContact CE2-CB 4Å; Y344-A372 HydrophobicContact CG-CB 4.27Å; C354-A372 HydrophobicContact CB-CB 4.33Å; C354-A372 PolarHBondContact N-O 3.36Å; C354-A372 PolarHBondContact O-N 2.96Å
373V94.1Very high87.1Confident63 Ų6361.5 Ų61.538%0.38231%0.314SS..EExtended strand (participates in β ladder)trans-115.2120.9178.6177.10000108.7I141 H142 Q352 L353I141-V373 CarbonylContact C-O 3.41Å; I141-V373 WeakPolarHBondContact CA-O 3.46Å; H142-V373 HydrophobicContact CB-CB 4.44Å; H142-V373 PolarHBondContact N-O 2.87Å; H142-V373 PolarHBondContact O-N 3.39Å; Q352-V373 CarbonylContact O-C 3.53Å; Q352-V373 WeakPolarHBondContact O-CA 3.15Å; L353-V373 HydrophobicContact CD2-CG2 4.19Å
374M93.7Very high87.6Confident8 Ų861.6 Ų61.64%0.03931%0.314CS..EExtended strand (participates in β ladder)trans-69.8131.4166.6-65.1-177.5-70.200108.3F131 I141 C349 R351 Q352 V378 V380F131-M374 HydrophobicContact CD1-SD 3.97Å; F131-M374 HydrophobicContact CE1-SD 3.75Å; I141-M374 HydrophobicContact CG1-CG 4.27Å; C349-M374 HydrophobicContact CB-CE 3.76Å; R351-M374 WeakPolarHBondContact O-CE 3.33Å; Q352-M374 PolarHBondContact O-N 2.95Å; Q352-M374 PolarHBondContact OE1-O 3.3Å; Q352-M374 VanDerWaalsContact OE1-O 3.06Å; M374-V378 HydrophobicContact CB-CB 4.3Å; M374-V378 HydrophobicContact CB-CG1 4.26Å; M374-V378 HydrophobicContact CG-CG1 4.14Å; M374-V378 HydrophobicContact SD-CG1 4.23Å; M374-V380 HydrophobicContact CE-CG2 4.35Å; M374-V380 HydrophobicContact SD-CG2 3.94Å
375M91.9Very high87.9Confident51 Ų5158.7 Ų58.725%0.25130%0.297SS..  trans-94.5174.4176.1-53.9-179.473.400109.8N138 G140 H142 F269 V378N138-M375 HydrophobicContact CB-CE 4.18Å; N138-M375 VanDerWaalsContact O-CB 3.29Å; N138-M375 WeakPolarHBondContact O-CB 3.45Å; G140-M375 WeakPolarHBondContact O-CB 3.24Å; G140-M375 WeakPolarHBondContact O-CG 3.47Å; G140-M375 PolarHBondContact O-N 3.26Å; H142-M375 HydrophobicContact CB-CG 4.27Å; H142-M375 HydrophobicContact CB-SD 4.11Å; F269-M375 HydrophobicContact CD1-SD 3.97Å; F269-M375 HydrophobicContact CE1-CE 4.4Å; F269-M375 HydrophobicContact CE1-SD 3.74Å; M375-V378 WeakPolarHBondContact O-CB 3.45Å; M375-V378 PolarHBondContact O-N 2.63Å; M375-V378 VanDerWaalsContact O-N 3.15Å
376D86Confident88.1Confident140 Ų14057.6 Ų57.675%0.74929%0.292SS*.THydrogen-bonded Turntrans-59.4146.7-176.6-162.714000112.8S139 V378S139-D376 VanDerWaalsContact CA-O 3.24Å; S139-D376 WeakPolarHBondContact CA-O 3.23Å; S139-D376 WeakPolarHBondContact CB-O 3.47Å; S139-D376 PolarHBondContact OG-O 2.86Å; D376-V378 PolarHBondContact O-N 3.26Å
377G85.3Confident88Confident28 Ų2860.3 Ų60.329%0.28930%0.303SS..THydrogen-bonded Turntrans70.22.5-172.700000116S134 S139S134-G377 WeakPolarHBondContact CB-O 3.42Å; S134-G377 PolarHBondContact N-O 2.93Å; S134-G377 VanDerWaalsContact N-O 3.12Å; S134-G377 PolarHBondContact OG-O 3.09Å; S139-G377 WeakPolarHBondContact OG-CA 3.22Å; S139-G377 PolarHBondContact OG-O 3.04Å; S139-G377 VanDerWaalsContact OG-O 3.08Å
378V92.4Very high88.7Confident11 Ų1154.2 Ų54.27%0.06729%0.286CS..EExtended strand (participates in β ladder)trans-95.3129.7164.4-177.30000109.6F131 T132 L133 G140 I141 M374 M375 D376F131-V378 HydrophobicContact CD1-CG1 4.41Å; T132-V378 WeakPolarHBondContact O-CA 3.48Å; L133-V378 HydrophobicContact CD2-CG2 4.32Å; L133-V378 HydrophobicContact CG-CG1 4.44Å; L133-V378 HydrophobicContact CG-CG2 4.06Å; G140-V378 VanDerWaalsContact O-CG2 3.29Å; G140-V378 WeakPolarHBondContact O-CG2 3.14Å; I141-V378 HydrophobicContact CD1-CG1 4.4Å; I141-V378 HydrophobicContact CG1-CG1 4.08Å; M374-V378 HydrophobicContact CB-CB 4.3Å; M374-V378 HydrophobicContact CB-CG1 4.26Å; M374-V378 HydrophobicContact CG-CG1 4.14Å; M374-V378 HydrophobicContact SD-CG1 4.23Å; M375-V378 WeakPolarHBondContact O-CB 3.45Å; M375-V378 PolarHBondContact O-N 2.63Å; M375-V378 VanDerWaalsContact O-N 3.15Å; D376-V378 PolarHBondContact O-N 3.26Å
379R90.4Very high89.2Confident111 Ų11145.2 Ų45.242%0.41924%0.244SC..EExtended strand (participates in β ladder)trans-135.5146.8176.564.9-177.7-174.6-179.11.6111.7E47 F131 T132 V381E47-R379 IonicContact OE2-CZ 3.89Å; E47-R379 IonicContact OE2-NH2 3.45Å; E47-R379 PolarHBondContact OE2-NH2 2.89Å; F131-R379 CarbonylContact C-O 3.55Å; F131-R379 WeakPolarHBondContact CA-O 3.45Å; T132-R379 PolarHBondContact N-O 3.47Å; T132-R379 PolarHBondContact O-N 2.7Å; R379-V381 HydrophobicContact CG-CG2 4.08Å
380V92.9Very high89.3Confident47 Ų4741.2 Ų41.229%0.28522%0.219SC..EExtended strand (participates in β ladder)trans-82.7125.4165.7177.70000108.4I129 F131 P346 C349 M374I129-V380 HydrophobicContact CG2-CG1 3.62Å; F131-V380 HydrophobicContact CD1-CG2 3.94Å; F131-V380 HydrophobicContact CE1-CG2 3.92Å; P346-V380 HydrophobicContact CB-CG1 4.17Å; C349-V380 HydrophobicContact CB-CG2 3.89Å; M374-V380 HydrophobicContact CE-CG2 4.35Å; M374-V380 HydrophobicContact SD-CG2 3.94Å
381V90.8Very high88.9Confident19 Ų1945.7 Ų45.712%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-106.2131173.21790000108.2I129 F130 T132 R379 T383I129-V381 WeakPolarHBondContact CA-O 3.48Å; F130-V381 HydrophobicContact CD2-CB 4.1Å; F130-V381 HydrophobicContact CE2-CB 3.58Å; F130-V381 HydrophobicContact CE2-CG1 3.86Å; F130-V381 HydrophobicContact CE2-CG2 4.14Å; F130-V381 HydrophobicContact CZ-CB 3.94Å; F130-V381 HydrophobicContact CZ-CG1 3.74Å; F130-V381 PolarHBondContact N-O 3.38Å; F130-V381 VanDerWaalsContact N-O 3.12Å; F130-V381 PolarHBondContact O-N 3.31Å; T132-V381 VanDerWaalsContact OG1-CG2 3.28Å; T132-V381 WeakPolarHBondContact OG1-CG2 3.47Å; R379-V381 HydrophobicContact CG-CG2 4.08Å; V381-T383 HydrophobicContact CG1-CG2 4.05Å
382V89.8Confident88.3Confident81 Ų8146.4 Ų46.449%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-109.8111.2174.7-178.80000108I129I129-V382 HydrophobicContact CG1-CG1 4.33Å; I129-V382 HydrophobicContact CG1-CG2 4.48Å; I129-V382 HydrophobicContact CG2-CG2 4.08Å
383T91Very high87.4Confident6 Ų647.3 Ų47.34%0.03726%0.257CS..  trans-104.7153.1170.864.40000109.3Y86 K124 D128 F130 V381Y86-T383 HydrophobicContact CE1-CG2 4.14Å; Y86-T383 HydrophobicContact CE2-CG2 4Å; K124-T383 PolarHBondContact NZ-OG1 2.98Å; D128-T383 WeakPolarHBondContact CA-OG1 3.4Å; D128-T383 WeakPolarHBondContact O-CA 3.34Å; D128-T383 PolarHBondContact O-N 2.87Å; D128-T383 VanDerWaalsContact O-O 3.1Å; D128-T383 PolarHBondContact O-OG1 3.05Å; F130-T383 HydrophobicContact CE1-CG2 3.8Å; F130-T383 HydrophobicContact CZ-CG2 3.84Å; V381-T383 HydrophobicContact CG1-CG2 4.05Å
384H88.7Confident86.3Confident66 Ų6646.2 Ų46.231%0.30626%0.258SS..  trans-115.4137.6-175.6-60.577.6000109.4S87 V88 K124S87-H384 WeakPolarHBondContact CA-O 3.35Å; S87-H384 PolarHBondContact OG-N 3.22Å; V88-H384 PolarHBondContact N-O 2.89Å; V88-H384 VanDerWaalsContact N-O 3.17Å; V88-H384 WeakPolarHBondContact O-CB 3.3Å; K124-H384 PolarHBondContact NZ-O 2.98Å
385S87Confident85.7Confident11 Ų1145.8 Ų45.88%0.07726%0.257CS..  trans-94.1162.217359.80000109.6D128 Y387 T388 S389D128-S385 PolarHBondContact OD1-N 2.76Å; S385-Y387 PolarHBondContact O-N 3.12Å; S385-T388 PolarHBondContact N-OG1 2.86Å; S385-T388 VanDerWaalsContact N-OG1 3.16Å; S385-T388 PolarHBondContact O-N 3.5Å; S385-T388 PolarHBondContact O-OG1 3.35Å; S385-T388 VanDerWaalsContact O-OG1 3.14Å; S385-T388 PolarHBondContact OG-N 3.26Å; S385-T388 PolarHBondContact OG-OG1 2.74Å; S385-S389 PolarHBondContact O-N 3.48Å
386I88.3Confident85.5Confident1 Ų143.4 Ų43.41%0.00525%0.245CC..Hα-helixtrans-55.7-35.2170.9-175.8169.4000111.3V88 M93 V118 M121 M122 L390V88-I386 HydrophobicContact CG1-CB 4.42Å; M93-I386 HydrophobicContact CE-CD1 4.4Å; M93-I386 HydrophobicContact CE-CG1 4.49Å; M93-I386 HydrophobicContact SD-CG1 4.29Å; V118-I386 HydrophobicContact CG1-CD1 3.88Å; M121-I386 HydrophobicContact CB-CB 4.09Å; M121-I386 HydrophobicContact CB-CD1 4.17Å; M121-I386 HydrophobicContact CB-CG2 4.39Å; M121-I386 HydrophobicContact SD-CD1 4.42Å; M122-I386 HydrophobicContact CB-CG2 4.44Å; M122-I386 HydrophobicContact CG-CD1 4.22Å; M122-I386 HydrophobicContact CG-CG2 3.95Å; I386-L390 WeakPolarHBondContact O-CB 3.15Å; I386-L390 PolarHBondContact O-N 3.08Å
387Y84.5Confident85.4Confident73 Ų7339.1 Ų39.129%0.28622%0.22SC..Hα-helixtrans-62-50.3178.3-55.5-69.8000112.8M122 S385 H391 L424 S427M122-Y387 HydrophobicContact CE-CE1 4.27Å; M122-Y387 WeakPolarHBondContact CE-OH 3.36Å; S385-Y387 PolarHBondContact O-N 3.12Å; Y387-H391 VanDerWaalsContact O-CB 3.28Å; Y387-H391 WeakPolarHBondContact O-CB 3.35Å; Y387-H391 PolarHBondContact O-N 2.99Å; Y387-L424 HydrophobicContact CD1-CD2 4.11Å; Y387-L424 HydrophobicContact CE1-CD2 3.69Å; Y387-S427 WeakPolarHBondContact CE1-OG 3.14Å; Y387-S427 WeakPolarHBondContact OH-CB 3.46Å; Y387-S427 PolarHBondContact OH-OG 2.96Å; Y387-S427 VanDerWaalsContact OH-OG 3.14Å
388T82.4Confident85.3Confident59 Ų5938.4 Ų38.436%0.36221%0.21SC..Hα-helixtrans-67.4-45.7179.953.50000111.3S385 H391 S392S385-T388 PolarHBondContact N-OG1 2.86Å; S385-T388 VanDerWaalsContact N-OG1 3.16Å; S385-T388 PolarHBondContact O-N 3.5Å; S385-T388 PolarHBondContact O-OG1 3.35Å; S385-T388 VanDerWaalsContact O-OG1 3.14Å; S385-T388 PolarHBondContact OG-N 3.26Å; S385-T388 PolarHBondContact OG-OG1 2.74Å; T388-H391 PolarHBondContact O-N 3.34Å; T388-S392 PolarHBondContact O-N 3.12Å; T388-S392 PolarHBondContact O-OG 2.95Å
389S86.1Confident85.1Confident0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-67-41.9-179.6-71.10000113V88 N89 V90 S385 S392 V393V88-S389 WeakPolarHBondContact O-CB 3.27Å; V88-S389 PolarHBondContact O-OG 3.43Å; N89-S389 VanDerWaalsContact C-OG 3.29Å; N89-S389 WeakPolarHBondContact CA-OG 3.32Å; V90-S389 PolarHBondContact N-OG 3.22Å; S385-S389 PolarHBondContact O-N 3.48Å; S389-S392 PolarHBondContact O-N 2.77Å; S389-V393 WeakPolarHBondContact O-CG2 3.4Å; S389-V393 PolarHBondContact O-N 2.86Å; S389-V393 VanDerWaalsContact O-N 3.12Å
390L84.7Confident85.1Confident4 Ų432.8 Ų32.82%0.02119%0.188CC..Hα-helixtrans-63.8-44176.5-169.872.5000110.7M93 I386 S392 V393 G394 G395 V396 I398 L399 L424M93-L390 HydrophobicContact CE-CD1 4.15Å; I386-L390 WeakPolarHBondContact O-CB 3.15Å; I386-L390 PolarHBondContact O-N 3.08Å; L390-S392 VanDerWaalsContact C-N 3.33Å; L390-S392 PolarHBondContact O-N 2.88Å; L390-V393 PolarHBondContact O-N 3.12Å; L390-G394 PolarHBondContact O-N 2.9Å; L390-G395 WeakPolarHBondContact O-CA 3.43Å; L390-G395 PolarHBondContact O-N 3.14Å; L390-V396 HydrophobicContact CD2-CB 4.41Å; L390-I398 HydrophobicContact CD1-CD1 3.69Å; L390-I398 HydrophobicContact CD1-CG1 3.78Å; L390-L399 HydrophobicContact CD1-CD2 4.32Å; L390-L399 HydrophobicContact CD1-CG 4.34Å; L390-L399 HydrophobicContact CD2-CD1 4.45Å; L390-L424 HydrophobicContact CD2-CD1 3.96Å; L390-L424 HydrophobicContact CD2-CD2 4.31Å
391H80.4Confident84.7Confident111 Ų11131.2 Ų31.251%0.51418%0.178SC..Hα-helixtrans-56.9-45.5175-171.3104.6000111.7Y387 T388 V393 G394 G395Y387-H391 VanDerWaalsContact O-CB 3.28Å; Y387-H391 WeakPolarHBondContact O-CB 3.35Å; Y387-H391 PolarHBondContact O-N 2.99Å; T388-H391 PolarHBondContact O-N 3.34Å; H391-V393 VanDerWaalsContact C-N 3.35Å; H391-V393 PolarHBondContact O-N 3.46Å; H391-G394 PolarHBondContact O-N 3.25Å; H391-G395 PolarHBondContact O-N 2.92Å
392S80.1Confident84.4Confident84 Ų8430.8 Ų30.859%0.58718%0.175SC*.Hα-helixtrans-68.5-23.7178.5-64.70000115.3T388 S389 L390T388-S392 PolarHBondContact O-N 3.12Å; T388-S392 PolarHBondContact O-OG 2.95Å; S389-S392 PolarHBondContact O-N 2.77Å; L390-S392 VanDerWaalsContact C-N 3.33Å; L390-S392 PolarHBondContact O-N 2.88Å
393V74.7Confident84.3Confident19 Ų1927 Ų2712%0.11515%0.152CC..Hα-helixtrans-82.5-26.3175.2-179.60000112.1V90 N94 S389 L390 H391 I398V90-V393 HydrophobicContact CG1-CG2 3.76Å; N94-V393 VanDerWaalsContact OD1-CG1 3.23Å; N94-V393 WeakPolarHBondContact OD1-CG1 3.17Å; S389-V393 WeakPolarHBondContact O-CG2 3.4Å; S389-V393 PolarHBondContact O-N 2.86Å; S389-V393 VanDerWaalsContact O-N 3.12Å; L390-V393 PolarHBondContact O-N 3.12Å; H391-V393 VanDerWaalsContact C-N 3.35Å; H391-V393 PolarHBondContact O-N 3.46Å; V393-I398 HydrophobicContact CB-CD1 3.63Å; V393-I398 HydrophobicContact CG1-CD1 3.29Å
394G70.9Confident83.8Confident40 Ų4029.5 Ų29.541%0.41217%0.17SC..THydrogen-bonded Turntrans149.89.7-177.500000115.1L390 H391L390-G394 PolarHBondContact O-N 2.9Å; H391-G394 PolarHBondContact O-N 3.25Å
395G81.6Confident83.4Confident0 Ų027.7 Ų27.70%016%0.161CC..  trans78.6-173.6-177.900000113.8L390 H391 Q397 I398L390-G395 WeakPolarHBondContact O-CA 3.43Å; L390-G395 PolarHBondContact O-N 3.14Å; H391-G395 PolarHBondContact O-N 2.92Å; G395-Q397 PolarHBondContact O-N 3.46Å; G395-I398 WeakPolarHBondContact O-CG1 3.34Å; G395-I398 PolarHBondContact O-N 3.24Å
396V87.2Confident83.1Confident1 Ų127.1 Ų27.11%0.00616%0.158CC..G310 helixtrans-58.4-22.5-179690000113.5L390 I398 L399 F421 L424 V431 Q434 M435L390-V396 HydrophobicContact CD2-CB 4.41Å; V396-I398 PolarHBondContact O-N 3.46Å; V396-L399 HydrophobicContact CG2-CD1 4.4Å; V396-L399 WeakPolarHBondContact O-CB 3.21Å; V396-L399 PolarHBondContact O-N 2.92Å; V396-L399 VanDerWaalsContact O-N 3.09Å; V396-F421 HydrophobicContact CG2-CD1 3.92Å; V396-F421 HydrophobicContact CG2-CE1 3.94Å; V396-L424 HydrophobicContact CG2-CD1 4Å; V396-V431 HydrophobicContact CB-CG1 4Å; V396-V431 HydrophobicContact CG1-CG1 4.03Å; V396-V431 HydrophobicContact CG2-CG1 3.99Å; V396-Q434 HydrophobicContact CG1-CB 3.8Å; V396-M435 HydrophobicContact CG1-CG 3.71Å
397Q84.5Confident82.3Confident50 Ų5031.6 Ų31.623%0.23418%0.182CC..G310 helixtrans-60.2-28.2-178.5-59.2-179.47.500112.5G395 L399 L400 Q434 I1226G395-Q397 PolarHBondContact O-N 3.46Å; Q397-L399 PolarHBondContact O-N 3.15Å; Q397-L399 VanDerWaalsContact O-N 3.15Å; Q397-L400 HydrophobicContact CB-CD1 4.35Å; Q397-L400 VanDerWaalsContact O-CB 3.28Å; Q397-L400 WeakPolarHBondContact O-CB 3.41Å; Q397-L400 WeakPolarHBondContact O-CG 3.47Å; Q397-L400 PolarHBondContact O-N 2.72Å; Q397-Q434 PolarHBondContact NE2-O 2.96Å; Q397-I1226 HydrophobicContact CB-CD1 4.21Å
398I83.7Confident81.9Confident12 Ų1229.1 Ų29.16%0.06217%0.173CC..G310 helixtrans-68.7-12.117980.2-178.9000113.5L97 L390 V393 G395 V396 P401 L1230L97-I398 HydrophobicContact CD1-CD1 3.33Å; L97-I398 HydrophobicContact CD1-CG1 3.9Å; L390-I398 HydrophobicContact CD1-CD1 3.69Å; L390-I398 HydrophobicContact CD1-CG1 3.78Å; V393-I398 HydrophobicContact CB-CD1 3.63Å; V393-I398 HydrophobicContact CG1-CD1 3.29Å; G395-I398 WeakPolarHBondContact O-CG1 3.34Å; G395-I398 PolarHBondContact O-N 3.24Å; V396-I398 PolarHBondContact O-N 3.46Å; I398-P401 WeakPolarHBondContact O-CD 3.15Å; I398-L1230 HydrophobicContact CB-CD1 4.42Å; I398-L1230 HydrophobicContact CB-CD2 4.23Å; I398-L1230 HydrophobicContact CG2-CD2 4.16Å
399L88Confident81.1Confident4 Ų435.7 Ų35.72%0.02119%0.191CC..G310 helixtrans-82.7-17.6172.1-56.6-178.7000112.2L97 L390 V396 Q397 L402 I420 F421 L424L97-L399 HydrophobicContact CD2-CD2 3.54Å; L390-L399 HydrophobicContact CD1-CD2 4.32Å; L390-L399 HydrophobicContact CD1-CG 4.34Å; L390-L399 HydrophobicContact CD2-CD1 4.45Å; V396-L399 HydrophobicContact CG2-CD1 4.4Å; V396-L399 WeakPolarHBondContact O-CB 3.21Å; V396-L399 PolarHBondContact O-N 2.92Å; V396-L399 VanDerWaalsContact O-N 3.09Å; Q397-L399 PolarHBondContact O-N 3.15Å; Q397-L399 VanDerWaalsContact O-N 3.15Å; L399-L402 HydrophobicContact CD2-CD1 4.19Å; L399-L402 VanDerWaalsContact O-CB 3.3Å; L399-L402 WeakPolarHBondContact O-CB 3.33Å; L399-L402 PolarHBondContact O-N 3.07Å; L399-I420 HydrophobicContact CD1-CG2 4.13Å; L399-F421 HydrophobicContact CB-CE1 3.98Å; L399-F421 HydrophobicContact CB-CE2 4.18Å; L399-F421 HydrophobicContact CB-CZ 3.51Å; L399-L424 HydrophobicContact CD1-CD1 3.62Å
400L88.7Confident80.3Confident1 Ų137 Ų371%0.00520%0.201CC..Hα-helixtrans-60.8-38.8-178.4-63.5172.8000113.2Q397 L402 L403 F421 A440 V443 L1223 I1226Q397-L400 HydrophobicContact CB-CD1 4.35Å; Q397-L400 VanDerWaalsContact O-CB 3.28Å; Q397-L400 WeakPolarHBondContact O-CB 3.41Å; Q397-L400 WeakPolarHBondContact O-CG 3.47Å; Q397-L400 PolarHBondContact O-N 2.72Å; L400-L402 PolarHBondContact O-N 3.46Å; L400-L402 VanDerWaalsContact O-N 3.13Å; L400-L403 HydrophobicContact CD2-CD1 3.66Å; L400-L403 VanDerWaalsContact O-CB 3.25Å; L400-L403 WeakPolarHBondContact O-CB 3.48Å; L400-L403 PolarHBondContact O-N 3.39Å; L400-F421 HydrophobicContact CD2-CE1 3.92Å; L400-F421 HydrophobicContact CD2-CZ 3.81Å; L400-F421 HydrophobicContact CG-CZ 4.41Å; L400-A440 HydrophobicContact CD2-CB 4.13Å; L400-V443 HydrophobicContact CB-CG1 4.27Å; L400-V443 HydrophobicContact CD2-CB 4.29Å; L400-V443 HydrophobicContact CD2-CG1 4.22Å; L400-L1223 HydrophobicContact CB-CD2 4.01Å; L400-L1223 WeakPolarHBondContact O-CD2 3.31Å; L400-I1226 HydrophobicContact CB-CD1 4.26Å; L400-I1226 HydrophobicContact CD1-CD1 3.84Å
401P85.3Confident79.5Confident13 Ų1345.6 Ų45.68%0.08424%0.238CC..Hα-helixtrans-62.3-12.2171.9-25.136.2000115.7I398 L403 S404 Q405 I1226 V1227 L1230I398-P401 WeakPolarHBondContact O-CD 3.15Å; P401-L403 VanDerWaalsContact C-N 3.32Å; P401-S404 PolarHBondContact O-OG 3.03Å; P401-Q405 PolarHBondContact O-NE2 3.24Å; P401-I1226 HydrophobicContact CG-CB 4.23Å; P401-I1226 HydrophobicContact CG-CG2 3.63Å; P401-V1227 HydrophobicContact CB-CG2 3.85Å; P401-V1227 HydrophobicContact CG-CG2 3.88Å; P401-L1230 HydrophobicContact CG-CD1 4.19Å
402L85.5Confident79.2Confident10 Ų1044.5 Ų44.55%0.05224%0.236CC..Hα-helixtrans-75.2-25169.5-58.1178.7000111.7L97 L100 L399 L400 L417L97-L402 HydrophobicContact CD2-CD1 4.38Å; L100-L402 HydrophobicContact CB-CD2 3.88Å; L100-L402 HydrophobicContact CD1-CD1 4.08Å; L399-L402 HydrophobicContact CD2-CD1 4.19Å; L399-L402 VanDerWaalsContact O-CB 3.3Å; L399-L402 WeakPolarHBondContact O-CB 3.33Å; L399-L402 PolarHBondContact O-N 3.07Å; L400-L402 PolarHBondContact O-N 3.46Å; L400-L402 VanDerWaalsContact O-N 3.13Å; L402-L417 HydrophobicContact CB-CD1 4.3Å; L402-L417 HydrophobicContact CB-CD2 3.8Å; L402-L417 HydrophobicContact CD1-CD1 4.18Å
403L86.8Confident79.3Confident2 Ų240.5 Ų40.51%0.0121%0.208CC..Hα-helixtrans-71.8-32.2175.9-58.4163.6000111.7L400 P401 Q405 L406 L417 F421 V443 I444 A447L400-L403 HydrophobicContact CD2-CD1 3.66Å; L400-L403 VanDerWaalsContact O-CB 3.25Å; L400-L403 WeakPolarHBondContact O-CB 3.48Å; L400-L403 PolarHBondContact O-N 3.39Å; P401-L403 VanDerWaalsContact C-N 3.32Å; L403-Q405 PolarHBondContact O-N 2.74Å; L403-L406 HydrophobicContact CB-CD1 4.35Å; L403-L406 HydrophobicContact CD2-CD1 4.02Å; L403-L406 WeakPolarHBondContact O-CB 3.31Å; L403-L406 VanDerWaalsContact O-CG 3.25Å; L403-L406 WeakPolarHBondContact O-CG 3.38Å; L403-L406 PolarHBondContact O-N 2.89Å; L403-L417 HydrophobicContact CD2-CD2 3.65Å; L403-L417 HydrophobicContact CD2-CG 4.16Å; L403-L417 HydrophobicContact CG-CD2 4.16Å; L403-F421 HydrophobicContact CD1-CE2 4.03Å; L403-F421 HydrophobicContact CD1-CZ 4.11Å; L403-F421 HydrophobicContact CD2-CE2 4.06Å; L403-F421 HydrophobicContact CG-CE2 4.09Å; L403-V443 HydrophobicContact CD1-CG1 4.46Å; L403-I444 HydrophobicContact CD1-CB 4.39Å; L403-I444 HydrophobicContact CD1-CG1 3.47Å; L403-I444 VanDerWaalsContact CD1-CG1 3.47Å; L403-I444 HydrophobicContact CD2-CG1 4.41Å; L403-A447 HydrophobicContact CB-CB 3.68Å
404S79.9Confident79.7Confident58 Ų5839.7 Ų39.741%0.40620%0.203SC..THydrogen-bonded Turntrans-7510.317968.70000114.4P401P401-S404 PolarHBondContact O-OG 3.03Å
405Q81.6Confident80.4Confident28 Ų2838.4 Ų38.413%0.13119%0.188CC..THydrogen-bonded Turntrans-117.65.4176.8-63.9168.373.700111.3A102 W107 P401 L403 D407 L408A102-Q405 HydrophobicContact CB-CG 4.4Å; W107-Q405 HydrophobicContact CH2-CB 3.34Å; W107-Q405 HydrophobicContact CH2-CG 4.27Å; W107-Q405 HydrophobicContact CZ2-CB 3.4Å; W107-Q405 WeakPolarHBondContact CZ2-O 3.3Å; W107-Q405 HydrophobicContact CZ3-CB 4.14Å; W107-Q405 PolarHBondContact NE1-O 3.27Å; P401-Q405 PolarHBondContact O-NE2 3.24Å; L403-Q405 PolarHBondContact O-N 2.74Å; Q405-D407 VanDerWaalsContact CA-OD1 3.29Å; Q405-D407 WeakPolarHBondContact CA-OD1 3.32Å; Q405-D407 PolarHBondContact O-N 3.26Å; Q405-L408 WeakPolarHBondContact O-CB 3.32Å; Q405-L408 PolarHBondContact O-N 3.35Å; Q405-L408 VanDerWaalsContact O-N 3.16Å
406L80.6Confident80.8Confident0 Ų039.5 Ų39.50%019%0.194CC..THydrogen-bonded Turntrans-74.2-4.7177.2-64.7175.2000113.3L403 L408 F413 L448 A451 D452 H455L403-L406 HydrophobicContact CB-CD1 4.35Å; L403-L406 HydrophobicContact CD2-CD1 4.02Å; L403-L406 WeakPolarHBondContact O-CB 3.31Å; L403-L406 VanDerWaalsContact O-CG 3.25Å; L403-L406 WeakPolarHBondContact O-CG 3.38Å; L403-L406 PolarHBondContact O-N 2.89Å; L406-L408 PolarHBondContact O-N 3.19Å; L406-F413 HydrophobicContact CD2-CD1 3.71Å; L406-F413 HydrophobicContact CD2-CE1 4.23Å; L406-L448 HydrophobicContact CD1-CD2 3.96Å; L406-A451 HydrophobicContact CB-CB 3.65Å; L406-A451 WeakPolarHBondContact O-CA 3.42Å; L406-A451 WeakPolarHBondContact O-CB 3.3Å; L406-D452 PolarHBondContact O-N 3.07Å; L406-H455 PolarHBondContact O-CD2 2.82Å; L406-H455 PolarHBondContact O-NE2 3.45Å
407D71.3Confident81Confident95 Ų9539.5 Ų39.551%0.50819%0.194SC..THydrogen-bonded Turntrans-63.9-24163.865-44.2000111.8Q405Q405-D407 VanDerWaalsContact CA-OD1 3.29Å; Q405-D407 WeakPolarHBondContact CA-OD1 3.32Å; Q405-D407 PolarHBondContact O-N 3.26Å
408L75Confident81.3Confident21 Ų2137.4 Ų37.411%0.1118%0.184CC..SBendtrans-85.9125.6176.6-51.6-176.7000111.3A102 K105 W107 Q405 L406 S410 H455A102-L408 HydrophobicContact CB-CD1 3.56Å; K105-L408 HydrophobicContact CB-CD2 3.99Å; K105-L408 WeakPolarHBondContact O-CD2 3.46Å; W107-L408 PolarHBondContact NE1-O 3.43Å; Q405-L408 WeakPolarHBondContact O-CB 3.32Å; Q405-L408 PolarHBondContact O-N 3.35Å; Q405-L408 VanDerWaalsContact O-N 3.16Å; L406-L408 PolarHBondContact O-N 3.19Å; L408-S410 PolarHBondContact O-N 3.46Å; L408-H455 PolarHBondContact O-NE2 3.41Å
409R66.7Low81.7Confident196 Ų19637.3 Ų37.374%0.7419%0.185SC*.  trans-59127.4177.2-72.3-175.3177.8-172.1-3.4112.4D452R409-D452 HydrophobicContact CG-CB 4.1Å; R409-D452 WeakPolarHBondContact CG-OD2 3.4Å; R409-D452 IonicContact CZ-OD2 2.8Å; R409-D452 IonicContact NE-OD1 3.45Å; R409-D452 IonicContact NE-OD2 3.15Å; R409-D452 PolarHBondContact NE-OD2 3.24Å; R409-D452 IonicContact NH2-OD2 2.72Å; R409-D452 PolarHBondContact NH2-OD2 3.02Å; R409-D452 VanDerWaalsContact NH2-OD2 3.07Å
410S68.3Low82Confident29 Ų2937.2 Ų37.220%0.20318%0.184CC..  trans-161129.1171.8-174.40000110.1V112 L408 N412 H455V112-S410 WeakPolarHBondContact CG2-OG 3.38Å; L408-S410 PolarHBondContact O-N 3.46Å; S410-N412 PolarHBondContact O-N 2.93Å; S410-H455 PolarHBondContact O-CE1 3.19Å; S410-H455 PolarHBondContact O-ND1 3.31Å
411F68.7Low82.2Confident184 Ų18437.4 Ų37.481%0.80719%0.185SC*.THydrogen-bonded Turntrans-66.2132.9-178.4-73.8-80.4000111.8F413F411-F413 PolarHBondContact O-N 3.05Å
412N73.3Confident82.5Confident88 Ų8837.1 Ų37.147%0.47118%0.183SC..THydrogen-bonded Turntrans59.34.3176.1-58.5-29.3000116.9S410 S414 S415 I416S410-N412 PolarHBondContact O-N 2.93Å; N412-S414 PolarHBondContact O-N 3.31Å; N412-S415 PolarHBondContact O-N 2.73Å; N412-S415 PolarHBondContact O-OG 3.39Å; N412-S415 VanDerWaalsContact O-OG 3.04Å; N412-I416 HydrophobicContact CB-CD1 4.28Å; N412-I416 WeakPolarHBondContact O-CD1 3.37Å; N412-I416 WeakPolarHBondContact O-CG1 3.29Å; N412-I416 PolarHBondContact O-N 2.81Å; N412-I416 VanDerWaalsContact O-N 3.15Å
413F83.3Confident82.7Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-62.6-44.8-176.6-171.5-83.4000112.1W107 V112 L115 L406 F411 S415 I416 L417W107-F413 HydrophobicContact CD2-CE2 4.3Å; W107-F413 HydrophobicContact CD2-CZ 4.41Å; W107-F413 AromaticContact CE3-CE2 3.99Å; W107-F413 HydrophobicContact CE3-CE2 3.99Å; W107-F413 AromaticContact CE3-CZ 3.94Å; W107-F413 HydrophobicContact CE3-CZ 3.94Å; W107-F413 HydrophobicContact CH2-CD1 4.09Å; W107-F413 AromaticContact CH2-CE1 3.22Å; W107-F413 HydrophobicContact CH2-CE1 3.22Å; W107-F413 HydrophobicContact CH2-CE2 4.01Å; W107-F413 AromaticContact CH2-CZ 3.18Å; W107-F413 HydrophobicContact CH2-CZ 3.18Å; W107-F413 AromaticContact CZ2-CD1 3.82Å; W107-F413 HydrophobicContact CZ2-CD1 3.82Å; W107-F413 AromaticContact CZ2-CE1 3.44Å; W107-F413 HydrophobicContact CZ2-CE1 3.44Å; W107-F413 VanDerWaalsContact CZ2-CE1 3.44Å; W107-F413 HydrophobicContact CZ2-CE2 4.32Å; W107-F413 HydrophobicContact CZ2-CG 4.42Å; W107-F413 AromaticContact CZ2-CZ 3.73Å; W107-F413 HydrophobicContact CZ2-CZ 3.73Å; W107-F413 AromaticContact CZ3-CE1 3.89Å; W107-F413 HydrophobicContact CZ3-CE1 3.89Å; W107-F413 AromaticContact CZ3-CE2 3.84Å; W107-F413 HydrophobicContact CZ3-CE2 3.84Å; W107-F413 AromaticContact CZ3-CZ 3.31Å; W107-F413 HydrophobicContact CZ3-CZ 3.31Å; V112-F413 HydrophobicContact CG2-CB 4.39Å; V112-F413 HydrophobicContact CG2-CD2 4.11Å; L115-F413 HydrophobicContact CD2-CD1 4.34Å; L115-F413 HydrophobicContact CD2-CD2 3.86Å; L115-F413 HydrophobicContact CD2-CE1 4.24Å; L115-F413 HydrophobicContact CD2-CE2 3.75Å; L115-F413 HydrophobicContact CD2-CG 4.15Å; L115-F413 HydrophobicContact CD2-CZ 3.94Å; L406-F413 HydrophobicContact CD2-CD1 3.71Å; L406-F413 HydrophobicContact CD2-CE1 4.23Å; F411-F413 PolarHBondContact O-N 3.05Å; F413-S415 PolarHBondContact O-N 2.89Å; F413-I416 PolarHBondContact O-N 2.89Å; F413-L417 HydrophobicContact CE1-CB 4.5Å; F413-L417 HydrophobicContact CE1-CD2 3.96Å; F413-L417 WeakPolarHBondContact O-CB 3.38Å; F413-L417 PolarHBondContact O-N 2.82Å
414S83.5Confident82.9Confident1 Ų139.9 Ų39.91%0.00720%0.195CC..Hα-helixtrans-55.6-48.617656.70000112.8N412 L417 L418 H455 V460N412-S414 PolarHBondContact O-N 3.31Å; S414-L417 PolarHBondContact O-N 3.44Å; S414-L418 WeakPolarHBondContact O-CB 3.48Å; S414-L418 VanDerWaalsContact O-CG 3.28Å; S414-L418 WeakPolarHBondContact O-CG 3.43Å; S414-L418 PolarHBondContact O-N 3.42Å; S414-H455 PolarHBondContact OG-O 3.29Å; S414-V460 WeakPolarHBondContact OG-CG2 3.15Å
415S85.5Confident83.3Confident13 Ų1337.1 Ų37.19%0.09118%0.176CC..Hα-helixtrans-68.8-38.9-176.663.30000112.4N412 F413 S419 S459N412-S415 PolarHBondContact O-N 2.73Å; N412-S415 PolarHBondContact O-OG 3.39Å; N412-S415 VanDerWaalsContact O-OG 3.04Å; F413-S415 PolarHBondContact O-N 2.89Å; S415-S419 VanDerWaalsContact O-CB 3.26Å; S415-S419 WeakPolarHBondContact O-CB 3.35Å; S415-S419 PolarHBondContact O-N 2.65Å; S415-S419 PolarHBondContact O-OG 2.79Å; S415-S459 WeakPolarHBondContact CB-OG 3.26Å; S415-S459 PolarHBondContact OG-OG 2.97Å
416I88.9Confident83.5Confident24 Ų2439.7 Ų39.712%0.12319%0.188CC..Hα-helixtrans-66.5-45.9175.8-59.8161.8000109.7V112 L115 V116 N412 F413 S419 I420V112-I416 HydrophobicContact CG1-CD1 3.72Å; L115-I416 HydrophobicContact CB-CG2 4.24Å; L115-I416 HydrophobicContact CD2-CB 3.81Å; L115-I416 HydrophobicContact CD2-CG2 3.75Å; L115-I416 HydrophobicContact CG-CB 4.36Å; L115-I416 HydrophobicContact CG-CG2 3.71Å; V116-I416 HydrophobicContact CG2-CD1 3.95Å; V116-I416 HydrophobicContact CG2-CG2 4.35Å; N412-I416 HydrophobicContact CB-CD1 4.28Å; N412-I416 WeakPolarHBondContact O-CD1 3.37Å; N412-I416 WeakPolarHBondContact O-CG1 3.29Å; N412-I416 PolarHBondContact O-N 2.81Å; N412-I416 VanDerWaalsContact O-N 3.15Å; F413-I416 PolarHBondContact O-N 2.89Å; I416-S419 WeakPolarHBondContact CA-OG 3.16Å; I416-S419 PolarHBondContact O-N 3.13Å; I416-S419 VanDerWaalsContact O-N 3.14Å; I416-S419 PolarHBondContact O-OG 2.99Å; I416-I420 HydrophobicContact CG2-CD1 4.31Å; I416-I420 WeakPolarHBondContact O-CG1 3.36Å; I416-I420 PolarHBondContact O-N 3.05Å
417L90.9Very high83.5Confident1 Ų142.5 Ų42.51%0.00521%0.208CC..Hα-helixtrans-61.4-47.1179.3-179.656.5000111.8L115 L402 L403 F413 S414 S419 I420 F421L115-L417 HydrophobicContact CD1-CD1 4.31Å; L115-L417 HydrophobicContact CD2-CB 4.01Å; L402-L417 HydrophobicContact CB-CD1 4.3Å; L402-L417 HydrophobicContact CB-CD2 3.8Å; L402-L417 HydrophobicContact CD1-CD1 4.18Å; L403-L417 HydrophobicContact CD2-CD2 3.65Å; L403-L417 HydrophobicContact CD2-CG 4.16Å; L403-L417 HydrophobicContact CG-CD2 4.16Å; F413-L417 HydrophobicContact CE1-CB 4.5Å; F413-L417 HydrophobicContact CE1-CD2 3.96Å; F413-L417 WeakPolarHBondContact O-CB 3.38Å; F413-L417 PolarHBondContact O-N 2.82Å; S414-L417 PolarHBondContact O-N 3.44Å; L417-S419 VanDerWaalsContact C-N 3.27Å; L417-S419 PolarHBondContact O-N 2.92Å; L417-I420 WeakPolarHBondContact O-CB 3.5Å; L417-I420 PolarHBondContact O-N 3.21Å; L417-I420 VanDerWaalsContact O-N 3.16Å; L417-F421 HydrophobicContact CD1-CD2 4.21Å; L417-F421 HydrophobicContact CD1-CE2 3.84Å; L417-F421 HydrophobicContact CG-CD2 4.21Å; L417-F421 HydrophobicContact CG-CE2 3.97Å; L417-F421 WeakPolarHBondContact O-CD2 3.25Å; L417-F421 PolarHBondContact O-N 3.26Å; L417-F421 VanDerWaalsContact O-N 3.08Å
418L91.3Very high83.7Confident6 Ų639 Ų393%0.03119%0.19CC..Hα-helixtrans-63.5-33.9175.2-69.3172.8000112.1S414 I420 F421 S422 I444 L448 V460 T463S414-L418 WeakPolarHBondContact O-CB 3.48Å; S414-L418 VanDerWaalsContact O-CG 3.28Å; S414-L418 WeakPolarHBondContact O-CG 3.43Å; S414-L418 PolarHBondContact O-N 3.42Å; L418-I420 VanDerWaalsContact C-N 3.31Å; L418-I420 PolarHBondContact O-N 3.34Å; L418-F421 PolarHBondContact O-N 3.13Å; L418-S422 WeakPolarHBondContact O-CB 3.49Å; L418-S422 PolarHBondContact O-N 3.32Å; L418-I444 HydrophobicContact CD2-CD1 4.48Å; L418-I444 HydrophobicContact CD2-CG1 4.46Å; L418-I444 HydrophobicContact CD2-CG2 3.74Å; L418-L448 HydrophobicContact CD1-CD1 4.11Å; L418-L448 HydrophobicContact CD1-CD2 4.2Å; L418-V460 HydrophobicContact CD1-CB 4.4Å; L418-V460 HydrophobicContact CD1-CG1 3.6Å; L418-V460 HydrophobicContact CD1-CG2 4.24Å; L418-T463 HydrophobicContact CB-CG2 4.1Å
419S92.3Very high83.8Confident10 Ų1040.1 Ų40.17%0.0720%0.199CC..Hα-helixtrans-70.2-27.817677.80000112.8K119 S415 I416 L417 Q423K119-S419 WeakPolarHBondContact CE-OG 3.47Å; K119-S419 PolarHBondContact NZ-OG 2.94Å; S415-S419 VanDerWaalsContact O-CB 3.26Å; S415-S419 WeakPolarHBondContact O-CB 3.35Å; S415-S419 PolarHBondContact O-N 2.65Å; S415-S419 PolarHBondContact O-OG 2.79Å; I416-S419 WeakPolarHBondContact CA-OG 3.16Å; I416-S419 PolarHBondContact O-N 3.13Å; I416-S419 VanDerWaalsContact O-N 3.14Å; I416-S419 PolarHBondContact O-OG 2.99Å; L417-S419 VanDerWaalsContact C-N 3.27Å; L417-S419 PolarHBondContact O-N 2.92Å; S419-Q423 WeakPolarHBondContact O-CB 3.44Å; S419-Q423 VanDerWaalsContact O-CG 3.26Å; S419-Q423 WeakPolarHBondContact O-CG 3.44Å; S419-Q423 PolarHBondContact O-N 3.32Å
420I93.5Very high84.3Confident1 Ų135 Ų351%0.00519%0.187CC..Hα-helixtrans-68.9-47.9170.2-67.2161.6000109.8L115 V118 K119 M122 L399 I416 L417 L418 S422 Q423 L424L115-I420 HydrophobicContact CD1-CD1 3.63Å; L115-I420 HydrophobicContact CG-CD1 3.77Å; V118-I420 HydrophobicContact CB-CD1 4.17Å; V118-I420 HydrophobicContact CG1-CD1 4.03Å; V118-I420 HydrophobicContact CG1-CG2 4.37Å; K119-I420 HydrophobicContact CB-CD1 4.21Å; K119-I420 HydrophobicContact CB-CG1 3.81Å; K119-I420 HydrophobicContact CG-CG1 4.19Å; M122-I420 HydrophobicContact SD-CG2 4.41Å; L399-I420 HydrophobicContact CD1-CG2 4.13Å; I416-I420 HydrophobicContact CG2-CD1 4.31Å; I416-I420 WeakPolarHBondContact O-CG1 3.36Å; I416-I420 PolarHBondContact O-N 3.05Å; L417-I420 WeakPolarHBondContact O-CB 3.5Å; L417-I420 PolarHBondContact O-N 3.21Å; L417-I420 VanDerWaalsContact O-N 3.16Å; L418-I420 VanDerWaalsContact C-N 3.31Å; L418-I420 PolarHBondContact O-N 3.34Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.47Å; I420-Q423 PolarHBondContact O-N 3.36Å; I420-L424 HydrophobicContact CG2-CD1 3.69Å; I420-L424 HydrophobicContact CG2-CG 4.22Å; I420-L424 WeakPolarHBondContact O-CB 3.26Å; I420-L424 VanDerWaalsContact O-CG 3.24Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 2.82Å
421F93.4Very high85.1Confident6 Ų634.2 Ų34.23%0.02618%0.18CC..Hα-helixtrans-56.1-46.6173.6-81.9-73.9000111.9V396 L399 L400 L403 L417 L418 L424 L425 M435V396-F421 HydrophobicContact CG2-CD1 3.92Å; V396-F421 HydrophobicContact CG2-CE1 3.94Å; L399-F421 HydrophobicContact CB-CE1 3.98Å; L399-F421 HydrophobicContact CB-CE2 4.18Å; L399-F421 HydrophobicContact CB-CZ 3.51Å; L400-F421 HydrophobicContact CD2-CE1 3.92Å; L400-F421 HydrophobicContact CD2-CZ 3.81Å; L400-F421 HydrophobicContact CG-CZ 4.41Å; L403-F421 HydrophobicContact CD1-CE2 4.03Å; L403-F421 HydrophobicContact CD1-CZ 4.11Å; L403-F421 HydrophobicContact CD2-CE2 4.06Å; L403-F421 HydrophobicContact CG-CE2 4.09Å; L417-F421 HydrophobicContact CD1-CD2 4.21Å; L417-F421 HydrophobicContact CD1-CE2 3.84Å; L417-F421 HydrophobicContact CG-CD2 4.21Å; L417-F421 HydrophobicContact CG-CE2 3.97Å; L417-F421 WeakPolarHBondContact O-CD2 3.25Å; L417-F421 PolarHBondContact O-N 3.26Å; L417-F421 VanDerWaalsContact O-N 3.08Å; L418-F421 PolarHBondContact O-N 3.13Å; F421-L424 PolarHBondContact O-N 3.44Å; F421-L425 WeakPolarHBondContact O-CB 3.39Å; F421-L425 PolarHBondContact O-N 3.44Å; F421-M435 HydrophobicContact CD1-CE 4.19Å; F421-M435 HydrophobicContact CD1-SD 4.34Å
422S92.6Very high86Confident6 Ų626.3 Ų26.34%0.04215%0.146CC..Hα-helixtrans-60.4-49.7178.3-171.90000112L418 I420 L424 L425 Q426 T467L418-S422 WeakPolarHBondContact O-CB 3.49Å; L418-S422 PolarHBondContact O-N 3.32Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.47Å; S422-L424 PolarHBondContact O-N 3.35Å; S422-L425 PolarHBondContact O-N 2.92Å; S422-Q426 WeakPolarHBondContact O-CB 3.03Å; S422-Q426 VanDerWaalsContact O-CG 3.23Å; S422-Q426 WeakPolarHBondContact O-CG 3.44Å; S422-Q426 PolarHBondContact O-N 3.14Å; S422-Q426 PolarHBondContact OG-NE2 3.35Å; S422-T467 VanDerWaalsContact CB-OG1 3.25Å; S422-T467 WeakPolarHBondContact CB-OG1 3.25Å; S422-T467 PolarHBondContact OG-OG1 2.47Å
423Q89.9Confident86.4Confident70 Ų7025.7 Ų25.733%0.32714%0.142SC..Hα-helixtrans-64.8-39178.9-72.6-179.3-22.500112K119 M122 S419 I420 Q426 S427K119-Q423 VanDerWaalsContact CE-OE1 3.29Å; M122-Q423 HydrophobicContact CE-CB 3.48Å; M122-Q423 VanDerWaalsContact CE-CB 3.48Å; M122-Q423 HydrophobicContact SD-CB 3.91Å; S419-Q423 WeakPolarHBondContact O-CB 3.44Å; S419-Q423 VanDerWaalsContact O-CG 3.26Å; S419-Q423 WeakPolarHBondContact O-CG 3.44Å; S419-Q423 PolarHBondContact O-N 3.32Å; I420-Q423 PolarHBondContact O-N 3.36Å; Q423-Q426 PolarHBondContact O-N 2.92Å; Q423-S427 VanDerWaalsContact O-CB 3.32Å; Q423-S427 WeakPolarHBondContact O-CB 3.4Å; Q423-S427 PolarHBondContact O-N 3.2Å; Q423-S427 PolarHBondContact O-OG 2.82Å
424L89.9Confident86.4Confident0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-64.4-45.1178.8-73.5170.2000109.7M122 Y387 L390 V396 L399 I420 F421 S422 Q426 S427 S428 V431M122-L424 HydrophobicContact CE-CB 4.31Å; M122-L424 HydrophobicContact CE-CD2 3.57Å; M122-L424 HydrophobicContact CE-CG 3.69Å; M122-L424 HydrophobicContact SD-CD2 4.18Å; M122-L424 HydrophobicContact SD-CG 4.12Å; Y387-L424 HydrophobicContact CD1-CD2 4.11Å; Y387-L424 HydrophobicContact CE1-CD2 3.69Å; L390-L424 HydrophobicContact CD2-CD1 3.96Å; L390-L424 HydrophobicContact CD2-CD2 4.31Å; V396-L424 HydrophobicContact CG2-CD1 4Å; L399-L424 HydrophobicContact CD1-CD1 3.62Å; I420-L424 HydrophobicContact CG2-CD1 3.69Å; I420-L424 HydrophobicContact CG2-CG 4.22Å; I420-L424 WeakPolarHBondContact O-CB 3.26Å; I420-L424 VanDerWaalsContact O-CG 3.24Å; I420-L424 WeakPolarHBondContact O-CG 3.44Å; I420-L424 PolarHBondContact O-N 2.82Å; F421-L424 PolarHBondContact O-N 3.44Å; S422-L424 PolarHBondContact O-N 3.35Å; L424-Q426 VanDerWaalsContact C-N 3.35Å; L424-Q426 PolarHBondContact O-N 2.85Å; L424-S427 WeakPolarHBondContact CA-OG 3.33Å; L424-S427 PolarHBondContact O-N 3.38Å; L424-S427 PolarHBondContact O-OG 3.01Å; L424-S428 PolarHBondContact O-N 3.1Å; L424-V431 HydrophobicContact CB-CG1 3.99Å
425L88.8Confident86.6Confident0 Ų027.1 Ų27.10%015%0.149CC..Hα-helixtrans-61.2-38.7175.9177152000112.8F421 S422 S427 Q432 M435 F441 T467 F470 L471 L481F421-L425 WeakPolarHBondContact O-CB 3.39Å; F421-L425 PolarHBondContact O-N 3.44Å; S422-L425 PolarHBondContact O-N 2.92Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-Q432 HydrophobicContact CG-CG 4.14Å; L425-Q432 WeakPolarHBondContact O-CG 3.4Å; L425-Q432 PolarHBondContact O-NE2 3.47Å; L425-M435 HydrophobicContact CB-SD 4.05Å; L425-M435 HydrophobicContact CD1-CE 3.99Å; L425-M435 HydrophobicContact CD1-SD 3.78Å; L425-M435 HydrophobicContact CG-SD 4.43Å; L425-F441 HydrophobicContact CD1-CE2 4.07Å; L425-F441 HydrophobicContact CD1-CZ 3.93Å; L425-T467 HydrophobicContact CD2-CG2 4.33Å; L425-F470 HydrophobicContact CD2-CD1 3.55Å; L425-F470 HydrophobicContact CD2-CE1 3.63Å; L425-L471 HydrophobicContact CD1-CD1 4.48Å; L425-L471 HydrophobicContact CD1-CD2 4.48Å; L425-L471 HydrophobicContact CD2-CD2 3.86Å; L425-L471 HydrophobicContact CD2-CG 4.13Å; L425-L481 HydrophobicContact CD1-CD1 3.98Å; L425-L481 HydrophobicContact CG-CD1 4.44Å
426Q85.8Confident86.6Confident83 Ų8329 Ų2939%0.38816%0.157SC..Hα-helixtrans-69.6-31.1177.7-73.517643.100112.8S422 Q423 L424 F470S422-Q426 WeakPolarHBondContact O-CB 3.03Å; S422-Q426 VanDerWaalsContact O-CG 3.23Å; S422-Q426 WeakPolarHBondContact O-CG 3.44Å; S422-Q426 PolarHBondContact O-N 3.14Å; S422-Q426 PolarHBondContact OG-NE2 3.35Å; Q423-Q426 PolarHBondContact O-N 2.92Å; L424-Q426 VanDerWaalsContact C-N 3.35Å; L424-Q426 PolarHBondContact O-N 2.85Å; Q426-F470 HydrophobicContact CB-CD2 4.34Å; Q426-F470 HydrophobicContact CB-CE2 4.19Å; Q426-F470 HydrophobicContact CB-CZ 4.31Å; Q426-F470 HydrophobicContact CG-CB 4.17Å; Q426-F470 HydrophobicContact CG-CD1 3.91Å; Q426-F470 HydrophobicContact CG-CD2 3.79Å; Q426-F470 HydrophobicContact CG-CE1 4.25Å; Q426-F470 HydrophobicContact CG-CE2 4.12Å; Q426-F470 HydrophobicContact CG-CG 3.67Å; Q426-F470 HydrophobicContact CG-CZ 4.35Å
427S80Confident86.2Confident59 Ų5934.9 Ų34.941%0.41318%0.184SC..Hα-helixtrans-93.7-13.5-17163.60000116Y387 Q423 L424 L425Y387-S427 WeakPolarHBondContact CE1-OG 3.14Å; Y387-S427 WeakPolarHBondContact OH-CB 3.46Å; Y387-S427 PolarHBondContact OH-OG 2.96Å; Y387-S427 VanDerWaalsContact OH-OG 3.14Å; Q423-S427 VanDerWaalsContact O-CB 3.32Å; Q423-S427 WeakPolarHBondContact O-CB 3.4Å; Q423-S427 PolarHBondContact O-N 3.2Å; Q423-S427 PolarHBondContact O-OG 2.82Å; L424-S427 WeakPolarHBondContact CA-OG 3.33Å; L424-S427 PolarHBondContact O-N 3.38Å; L424-S427 PolarHBondContact O-OG 3.01Å; L425-S427 VanDerWaalsContact C-N 3.33Å
428S76.8Confident85.7Confident20 Ų2035.3 Ų35.314%0.1419%0.187CC..  trans-147.8127.5-174.3174.20000113.5L424 D430 V431 Q432L424-S428 PolarHBondContact O-N 3.1Å; S428-D430 VanDerWaalsContact C-N 3.33Å; S428-D430 PolarHBondContact OG-N 3.43Å; S428-V431 PolarHBondContact O-N 3.07Å; S428-V431 PolarHBondContact OG-N 2.9Å; S428-Q432 PolarHBondContact O-N 3.19Å
429P76.1Confident85.4Confident46 Ų4637.5 Ų37.530%0.29920%0.199SC..Hα-helixtrans-69.6-29.2173.731.6-38.2000112.5D322 V431 Q432 L433D322-P429 HydrophobicContact CB-CG 4.42Å; D322-P429 WeakPolarHBondContact OD2-CG 3.39Å; P429-V431 VanDerWaalsContact C-N 3.32Å; P429-V431 PolarHBondContact O-N 3.45Å; P429-Q432 WeakPolarHBondContact O-CB 3.26Å; P429-Q432 PolarHBondContact O-N 3.35Å; P429-L433 PolarHBondContact O-N 3.49Å
430D76.7Confident85.3Confident89 Ų8937.1 Ų37.148%0.47620%0.196SC..Hα-helixtrans-65.5-38.6175-66.3-50.5000111S428 L433 Q434S428-D430 VanDerWaalsContact C-N 3.33Å; S428-D430 PolarHBondContact OG-N 3.43Å; D430-L433 PolarHBondContact O-N 2.89Å; D430-Q434 WeakPolarHBondContact O-CB 3.47Å; D430-Q434 VanDerWaalsContact O-CG 3.26Å; D430-Q434 WeakPolarHBondContact O-CG 3.21Å; D430-Q434 PolarHBondContact O-N 3.12Å
431V85.1Confident85.3Confident11 Ų1137.3 Ų37.37%0.06720%0.197CC..Hα-helixtrans-62.7-42.4172.4171.70000110.8V396 L424 S428 P429 L433 Q434 M435V396-V431 HydrophobicContact CB-CG1 4Å; V396-V431 HydrophobicContact CG1-CG1 4.03Å; V396-V431 HydrophobicContact CG2-CG1 3.99Å; L424-V431 HydrophobicContact CB-CG1 3.99Å; S428-V431 PolarHBondContact O-N 3.07Å; S428-V431 PolarHBondContact OG-N 2.9Å; P429-V431 VanDerWaalsContact C-N 3.32Å; P429-V431 PolarHBondContact O-N 3.45Å; V431-L433 PolarHBondContact O-N 3.3Å; V431-Q434 PolarHBondContact O-N 3.06Å; V431-M435 HydrophobicContact CG1-CG 4.39Å; V431-M435 HydrophobicContact CG1-SD 4.15Å; V431-M435 WeakPolarHBondContact O-CB 3.46Å; V431-M435 WeakPolarHBondContact O-CG 3.25Å; V431-M435 PolarHBondContact O-N 3.34Å
432Q87.3Confident85.2Confident18 Ų1837.1 Ų37.18%0.08420%0.196CC..Hα-helixtrans-59.1-45.3175.4-66.7165.217.100111.7L425 S428 P429 M435 M436 T477 N478 L481L425-Q432 HydrophobicContact CG-CG 4.14Å; L425-Q432 WeakPolarHBondContact O-CG 3.4Å; L425-Q432 PolarHBondContact O-NE2 3.47Å; S428-Q432 PolarHBondContact O-N 3.19Å; P429-Q432 WeakPolarHBondContact O-CB 3.26Å; P429-Q432 PolarHBondContact O-N 3.35Å; Q432-M435 PolarHBondContact O-N 3.49Å; Q432-M436 WeakPolarHBondContact O-CB 3.38Å; Q432-M436 WeakPolarHBondContact O-CG 3.33Å; Q432-M436 PolarHBondContact O-N 2.97Å; Q432-T477 PolarHBondContact OE1-OG1 3.15Å; Q432-N478 PolarHBondContact OE1-OD1 3.31Å; Q432-L481 HydrophobicContact CB-CD1 3.7Å; Q432-L481 HydrophobicContact CG-CD1 3.92Å
433L82.6Confident85Confident75 Ų7536.9 Ų36.939%0.39319%0.194SC..Hα-helixtrans-63.8-43.7175.9-74.2168.6000112.1P429 D430 V431 M435 M436 Q437 T477P429-L433 PolarHBondContact O-N 3.49Å; D430-L433 PolarHBondContact O-N 2.89Å; V431-L433 PolarHBondContact O-N 3.3Å; L433-M435 PolarHBondContact O-N 2.85Å; L433-M436 WeakPolarHBondContact O-CB 3.47Å; L433-M436 PolarHBondContact O-N 2.91Å; L433-Q437 WeakPolarHBondContact O-CB 3.46Å; L433-Q437 VanDerWaalsContact O-CG 3.28Å; L433-Q437 WeakPolarHBondContact O-CG 3.34Å; L433-Q437 PolarHBondContact O-N 3.06Å; L433-T477 HydrophobicContact CD2-CG2 3.61Å; L433-T477 HydrophobicContact CG-CG2 4.18Å
434Q83.4Confident85.1Confident30 Ų3033.6 Ų33.614%0.1418%0.179CC..Hα-helixtrans-64-38.1176.6-73.6175.54.700112.5V396 Q397 D430 V431 S438V396-Q434 HydrophobicContact CG1-CB 3.8Å; Q397-Q434 PolarHBondContact NE2-O 2.96Å; D430-Q434 WeakPolarHBondContact O-CB 3.47Å; D430-Q434 VanDerWaalsContact O-CG 3.26Å; D430-Q434 WeakPolarHBondContact O-CG 3.21Å; D430-Q434 PolarHBondContact O-N 3.12Å; V431-Q434 PolarHBondContact O-N 3.06Å; Q434-S438 WeakPolarHBondContact O-CB 3.25Å; Q434-S438 PolarHBondContact O-N 2.86Å; Q434-S438 VanDerWaalsContact O-N 3.15Å; Q434-S438 PolarHBondContact O-OG 3.31Å
435M88.4Confident85.1Confident1 Ų133.7 Ų33.71%0.00518%0.179CC..Hα-helixtrans-69.2-39.8174.9-74.8-173.569.200111.9V396 F421 L425 V431 Q432 L433 S438 N439 A440 F441 I444 L481V396-M435 HydrophobicContact CG1-CG 3.71Å; F421-M435 HydrophobicContact CD1-CE 4.19Å; F421-M435 HydrophobicContact CD1-SD 4.34Å; L425-M435 HydrophobicContact CB-SD 4.05Å; L425-M435 HydrophobicContact CD1-CE 3.99Å; L425-M435 HydrophobicContact CD1-SD 3.78Å; L425-M435 HydrophobicContact CG-SD 4.43Å; V431-M435 HydrophobicContact CG1-CG 4.39Å; V431-M435 HydrophobicContact CG1-SD 4.15Å; V431-M435 WeakPolarHBondContact O-CB 3.46Å; V431-M435 WeakPolarHBondContact O-CG 3.25Å; V431-M435 PolarHBondContact O-N 3.34Å; Q432-M435 PolarHBondContact O-N 3.49Å; L433-M435 PolarHBondContact O-N 2.85Å; M435-S438 PolarHBondContact O-OG 3.05Å; M435-N439 PolarHBondContact O-N 3.27Å; M435-A440 HydrophobicContact CB-CB 3.8Å; M435-A440 HydrophobicContact CE-CB 3.73Å; M435-A440 HydrophobicContact CG-CB 3.84Å; M435-A440 PolarHBondContact O-N 2.68Å; M435-F441 HydrophobicContact CE-CE1 4.37Å; M435-F441 HydrophobicContact CE-CE2 4.22Å; M435-F441 HydrophobicContact CE-CZ 4.06Å; M435-I444 HydrophobicContact CE-CD1 4.33Å; M435-L481 HydrophobicContact CB-CD2 3.94Å
436M84.9Confident85Confident52 Ų5234.9 Ų34.926%0.25619%0.187SC..Hα-helixtrans-58.8-52.9172.8-84.1-60.8-69.400111.8Q432 L433 S438 N439 L481 Q484Q432-M436 WeakPolarHBondContact O-CB 3.38Å; Q432-M436 WeakPolarHBondContact O-CG 3.33Å; Q432-M436 PolarHBondContact O-N 2.97Å; L433-M436 WeakPolarHBondContact O-CB 3.47Å; L433-M436 PolarHBondContact O-N 2.91Å; M436-S438 VanDerWaalsContact C-N 3.29Å; M436-S438 PolarHBondContact O-N 2.98Å; M436-N439 PolarHBondContact O-N 3.24Å; M436-N439 VanDerWaalsContact O-N 3.13Å; M436-L481 HydrophobicContact CB-CD2 4.45Å; M436-L481 HydrophobicContact CG-CD1 4.37Å; M436-L481 HydrophobicContact CG-CD2 3.63Å; M436-L481 HydrophobicContact CG-CG 3.62Å; M436-L481 HydrophobicContact SD-CB 4.25Å; M436-L481 HydrophobicContact SD-CD2 3.63Å; M436-L481 HydrophobicContact SD-CG 3.6Å; M436-L481 VanDerWaalsContact SD-CG 3.6Å; M436-L481 PolarHBondContact SD-N 3.45Å; M436-Q484 PolarHBondContact O-NE2 3.34Å
437Q81.2Confident85.1Confident149 Ų14931.4 Ų31.470%0.69617%0.172SC*.Hα-helixtrans-64.9-30.5-176-71.9171.9-0.200113.2L433L433-Q437 WeakPolarHBondContact O-CB 3.46Å; L433-Q437 VanDerWaalsContact O-CG 3.28Å; L433-Q437 WeakPolarHBondContact O-CG 3.34Å; L433-Q437 PolarHBondContact O-N 3.06Å
438S79.5Confident85.5Confident9 Ų928.6 Ų28.66%0.06315%0.152CC..THydrogen-bonded Turntrans-88.7-0.7176.552.70000114.4Q434 M435 M436 A440Q434-S438 WeakPolarHBondContact O-CB 3.25Å; Q434-S438 PolarHBondContact O-N 2.86Å; Q434-S438 VanDerWaalsContact O-N 3.15Å; Q434-S438 PolarHBondContact O-OG 3.31Å; M435-S438 PolarHBondContact O-OG 3.05Å; M436-S438 VanDerWaalsContact C-N 3.29Å; M436-S438 PolarHBondContact O-N 2.98Å; S438-A440 PolarHBondContact O-N 3.13Å
439N85.5Confident85.9Confident53 Ų5328.9 Ų28.928%0.28315%0.153SC..THydrogen-bonded Turntrans47.547.7-167.1-62.7-72.2000111.8M435 M436 F441 L442 V443 Q484M435-N439 PolarHBondContact O-N 3.27Å; M436-N439 PolarHBondContact O-N 3.24Å; M436-N439 VanDerWaalsContact O-N 3.13Å; N439-F441 PolarHBondContact O-N 3.39Å; N439-F441 VanDerWaalsContact O-N 3.11Å; N439-L442 HydrophobicContact CB-CB 4.01Å; N439-L442 HydrophobicContact CB-CD2 4.27Å; N439-L442 WeakPolarHBondContact O-CA 3.46Å; N439-L442 VanDerWaalsContact O-CB 3.28Å; N439-L442 WeakPolarHBondContact O-CB 3.33Å; N439-L442 PolarHBondContact O-N 3.44Å; N439-V443 PolarHBondContact O-N 3.25Å; N439-Q484 PolarHBondContact OD1-NE2 3.3Å; N439-Q484 VanDerWaalsContact OD1-NE2 3.13Å
440A89.7Confident86.2Confident1 Ų130.3 Ų30.31%0.00817%0.169CC..Hα-helixtrans-55.9-35.4-170.100000113.3L400 M435 S438 L442 V443 I444L400-A440 HydrophobicContact CD2-CB 4.13Å; M435-A440 HydrophobicContact CB-CB 3.8Å; M435-A440 HydrophobicContact CE-CB 3.73Å; M435-A440 HydrophobicContact CG-CB 3.84Å; M435-A440 PolarHBondContact O-N 2.68Å; S438-A440 PolarHBondContact O-N 3.13Å; A440-L442 PolarHBondContact O-N 2.97Å; A440-V443 PolarHBondContact O-N 3.46Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.22Å; A440-I444 PolarHBondContact O-N 2.93Å
441F93.9Very high86.4Confident6 Ų626.4 Ų26.43%0.02615%0.149CC..Hα-helixtrans-70.7-26.4176.7-73.4-61.1000114.1L425 M435 N439 I444 G445 T467 L471 L481 Q484 L485 V489L425-F441 HydrophobicContact CD1-CE2 4.07Å; L425-F441 HydrophobicContact CD1-CZ 3.93Å; M435-F441 HydrophobicContact CE-CE1 4.37Å; M435-F441 HydrophobicContact CE-CE2 4.22Å; M435-F441 HydrophobicContact CE-CZ 4.06Å; N439-F441 PolarHBondContact O-N 3.39Å; N439-F441 VanDerWaalsContact O-N 3.11Å; F441-I444 HydrophobicContact CD1-CD1 3.88Å; F441-I444 HydrophobicContact CE1-CD1 4.17Å; F441-G445 PolarHBondContact O-N 3.29Å; F441-T467 HydrophobicContact CZ-CG2 4.03Å; F441-L471 HydrophobicContact CE2-CD1 4.16Å; F441-L471 HydrophobicContact CZ-CD1 4.3Å; F441-L481 HydrophobicContact CD2-CD2 4.15Å; F441-L481 HydrophobicContact CE2-CB 4.17Å; F441-L481 HydrophobicContact CE2-CD2 3.96Å; F441-Q484 HydrophobicContact CB-CB 3.83Å; F441-Q484 HydrophobicContact CD2-CB 4.18Å; F441-Q484 HydrophobicContact CG-CB 4.48Å; F441-L485 HydrophobicContact CD1-CB 4.2Å; F441-L485 HydrophobicContact CD1-CD1 3.82Å; F441-L485 HydrophobicContact CD2-CB 4.06Å; F441-L485 HydrophobicContact CE1-CB 4.32Å; F441-L485 HydrophobicContact CE1-CD1 3.74Å; F441-L485 HydrophobicContact CE1-CG 4.45Å; F441-L485 HydrophobicContact CE2-CB 4.15Å; F441-L485 HydrophobicContact CG-CB 4.08Å; F441-L485 HydrophobicContact CZ-CB 4.29Å; F441-L485 HydrophobicContact CZ-CD1 4.35Å; F441-V489 HydrophobicContact CB-CG2 4.38Å; F441-V489 HydrophobicContact CD1-CG2 4.4Å; F441-V489 WeakPolarHBondContact O-CG2 3.28Å
442L90.2Very high86.1Confident2 Ų227.5 Ų27.51%0.0116%0.155CC..Hα-helixtrans-65-44.8168.1167.363.3000110.5N439 A440 G445 V446 Y488 N1215 I1218N439-L442 HydrophobicContact CB-CB 4.01Å; N439-L442 HydrophobicContact CB-CD2 4.27Å; N439-L442 WeakPolarHBondContact O-CA 3.46Å; N439-L442 VanDerWaalsContact O-CB 3.28Å; N439-L442 WeakPolarHBondContact O-CB 3.33Å; N439-L442 PolarHBondContact O-N 3.44Å; A440-L442 PolarHBondContact O-N 2.97Å; L442-G445 PolarHBondContact O-N 3.42Å; L442-V446 HydrophobicContact CD1-CG2 4.07Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 2.99Å; L442-Y488 HydrophobicContact CB-CD1 4.47Å; L442-Y488 HydrophobicContact CB-CD2 3.74Å; L442-Y488 HydrophobicContact CB-CE2 3.95Å; L442-Y488 HydrophobicContact CB-CG 4.04Å; L442-Y488 HydrophobicContact CD1-CD1 3.85Å; L442-Y488 HydrophobicContact CD1-CE1 4.04Å; L442-Y488 HydrophobicContact CD1-CG 4.16Å; L442-N1215 HydrophobicContact CD1-CB 3.52Å; L442-I1218 HydrophobicContact CD2-CB 4.23Å; L442-I1218 HydrophobicContact CD2-CG2 3.71Å
443V89.9Confident85.6Confident0 Ų029.7 Ų29.70%016%0.164CC..Hα-helixtrans-64.8-44.8178.1-178.50000110.8L400 L403 N439 A440 A447 I1222 L1223L400-V443 HydrophobicContact CB-CG1 4.27Å; L400-V443 HydrophobicContact CD2-CB 4.29Å; L400-V443 HydrophobicContact CD2-CG1 4.22Å; L403-V443 HydrophobicContact CD1-CG1 4.46Å; N439-V443 PolarHBondContact O-N 3.25Å; A440-V443 PolarHBondContact O-N 3.46Å; V443-A447 WeakPolarHBondContact O-CB 3.28Å; V443-A447 PolarHBondContact O-N 2.88Å; V443-I1222 HydrophobicContact CG2-CB 4.24Å; V443-I1222 HydrophobicContact CG2-CD1 4.16Å; V443-I1222 HydrophobicContact CG2-CG2 3.97Å; V443-L1223 HydrophobicContact CG1-CD1 3.96Å; V443-L1223 HydrophobicContact CG1-CD2 3.72Å; V443-L1223 HydrophobicContact CG1-CG 3.77Å
444I91.7Very high85.3Confident2 Ų229.6 Ų29.61%0.0117%0.174CC..Hα-helixtrans-58.4-50173.9-69.8161.9000111L403 L418 M435 A440 F441 V446 A447 L448 V489L403-I444 HydrophobicContact CD1-CB 4.39Å; L403-I444 HydrophobicContact CD1-CG1 3.47Å; L403-I444 VanDerWaalsContact CD1-CG1 3.47Å; L403-I444 HydrophobicContact CD2-CG1 4.41Å; L418-I444 HydrophobicContact CD2-CD1 4.48Å; L418-I444 HydrophobicContact CD2-CG1 4.46Å; L418-I444 HydrophobicContact CD2-CG2 3.74Å; M435-I444 HydrophobicContact CE-CD1 4.33Å; A440-I444 VanDerWaalsContact O-CG1 3.27Å; A440-I444 WeakPolarHBondContact O-CG1 3.22Å; A440-I444 PolarHBondContact O-N 2.93Å; F441-I444 HydrophobicContact CD1-CD1 3.88Å; F441-I444 HydrophobicContact CE1-CD1 4.17Å; I444-V446 PolarHBondContact O-N 3.19Å; I444-A447 PolarHBondContact O-N 3.45Å; I444-L448 HydrophobicContact CG2-CD1 3.59Å; I444-L448 HydrophobicContact CG2-CG 4.19Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 3.28Å; I444-V489 HydrophobicContact CG2-CG2 4.4Å
445G89.3Confident85Confident1 Ų128.3 Ų28.31%0.0117%0.168CC..Hα-helixtrans-59.2-48-179.500000112.8F441 L442 T449F441-G445 PolarHBondContact O-N 3.29Å; L442-G445 PolarHBondContact O-N 3.42Å; G445-T449 WeakPolarHBondContact O-CB 3.22Å; G445-T449 PolarHBondContact O-N 3.08Å; G445-T449 PolarHBondContact O-OG1 3.13Å
446V87.8Confident84.8Confident25 Ų2528.9 Ų28.915%0.15217%0.171CC..Hα-helixtrans-63.8-44.6177170.50000111.5L442 I444 T449 A450 V1216L442-V446 HydrophobicContact CD1-CG2 4.07Å; L442-V446 WeakPolarHBondContact O-CG2 3.47Å; L442-V446 PolarHBondContact O-N 2.99Å; I444-V446 PolarHBondContact O-N 3.19Å; V446-T449 PolarHBondContact O-N 3.38Å; V446-A450 PolarHBondContact O-N 3.18Å; V446-A450 VanDerWaalsContact O-N 3.17Å; V446-V1216 HydrophobicContact CG1-CB 4.41Å; V446-V1216 HydrophobicContact CG1-CG1 4.29Å; V446-V1216 HydrophobicContact CG1-CG2 4.17Å; V446-V1216 HydrophobicContact CG2-CG2 4.23Å
447A87.9Confident84.7Confident10 Ų1028.5 Ų28.58%0.08317%0.172CC..Hα-helixtrans-66.3-40.8-178.900000112.6L403 V443 I444 A450 A451L403-A447 HydrophobicContact CB-CB 3.68Å; V443-A447 WeakPolarHBondContact O-CB 3.28Å; V443-A447 PolarHBondContact O-N 2.88Å; I444-A447 PolarHBondContact O-N 3.45Å; A447-A450 PolarHBondContact O-N 3.22Å; A447-A451 PolarHBondContact O-N 3.1Å
448L87.1Confident84.8Confident0 Ų025.8 Ų25.80%016%0.159CC..Hα-helixtrans-68-34.6174.6-68.5172.5000112.1L406 L418 I444 A450 A451 M456 V489 L495L406-L448 HydrophobicContact CD1-CD2 3.96Å; L418-L448 HydrophobicContact CD1-CD1 4.11Å; L418-L448 HydrophobicContact CD1-CD2 4.2Å; I444-L448 HydrophobicContact CG2-CD1 3.59Å; I444-L448 HydrophobicContact CG2-CG 4.19Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.28Å; I444-L448 WeakPolarHBondContact O-CG 3.33Å; I444-L448 PolarHBondContact O-N 3.28Å; L448-A450 VanDerWaalsContact C-N 3.28Å; L448-A450 PolarHBondContact O-N 3.39Å; L448-A451 WeakPolarHBondContact O-CB 3.36Å; L448-A451 PolarHBondContact O-N 2.88Å; L448-M456 HydrophobicContact CB-SD 4.42Å; L448-M456 HydrophobicContact CD2-SD 4.35Å; L448-V489 HydrophobicContact CD1-CG1 4.44Å; L448-L495 VanDerWaalsContact C-CD1 3.45Å; L448-L495 HydrophobicContact CB-CD1 3.53Å; L448-L495 HydrophobicContact CB-CD2 4.34Å; L448-L495 WeakPolarHBondContact O-CD1 2.88Å
449T85.6Confident85Confident26 Ų2627.3 Ų27.316%0.1617%0.17CC..Hα-helixtrans-63.6-39.6177.9-55.10000110.6G445 V446 K453 N492 D494G445-T449 WeakPolarHBondContact O-CB 3.22Å; G445-T449 PolarHBondContact O-N 3.08Å; G445-T449 PolarHBondContact O-OG1 3.13Å; V446-T449 PolarHBondContact O-N 3.38Å; T449-K453 PolarHBondContact O-NZ 2.83Å; T449-N492 PolarHBondContact OG1-ND2 3.31Å; T449-D494 HydrophobicContact CG2-CB 4.25Å; T449-D494 WeakPolarHBondContact CG2-OD2 3.42Å
450A82.1Confident85.2Confident76 Ų7624.8 Ų24.863%0.62816%0.156SC*.THydrogen-bonded Turntrans-85.7-3.9177.600000115.1V446 A447 L448V446-A450 PolarHBondContact O-N 3.18Å; V446-A450 VanDerWaalsContact O-N 3.17Å; A447-A450 PolarHBondContact O-N 3.22Å; L448-A450 VanDerWaalsContact C-N 3.28Å; L448-A450 PolarHBondContact O-N 3.39Å
451A81.4Confident85.2Confident7 Ų724.8 Ų24.86%0.05816%0.156CC..SBendtrans-71.3157.8179.300000112L406 A447 L448 K453L406-A451 HydrophobicContact CB-CB 3.65Å; L406-A451 WeakPolarHBondContact O-CA 3.42Å; L406-A451 WeakPolarHBondContact O-CB 3.3Å; A447-A451 PolarHBondContact O-N 3.1Å; L448-A451 WeakPolarHBondContact O-CB 3.36Å; L448-A451 PolarHBondContact O-N 2.88Å; A451-K453 PolarHBondContact O-N 2.92Å
452D78.5Confident85Confident35 Ų3527 Ų2719%0.18717%0.168CC..  trans-60.2130.4168.2-178.7-75000109.4L406 R409 A454 H455L406-D452 PolarHBondContact O-N 3.07Å; R409-D452 HydrophobicContact CG-CB 4.1Å; R409-D452 WeakPolarHBondContact CG-OD2 3.4Å; R409-D452 IonicContact CZ-OD2 2.8Å; R409-D452 IonicContact NE-OD1 3.45Å; R409-D452 IonicContact NE-OD2 3.15Å; R409-D452 PolarHBondContact NE-OD2 3.24Å; R409-D452 IonicContact NH2-OD2 2.72Å; R409-D452 PolarHBondContact NH2-OD2 3.02Å; R409-D452 VanDerWaalsContact NH2-OD2 3.07Å; D452-A454 PolarHBondContact O-N 3.48Å; D452-A454 WeakPolarHBondContact OD1-CB 3.43Å; D452-A454 PolarHBondContact OD1-N 3.32Å; D452-H455 WeakPolarHBondContact O-CB 3.47Å; D452-H455 PolarHBondContact O-CD2 2.82Å; D452-H455 PolarHBondContact O-N 3.01Å
453K76.4Confident85Confident64 Ų6427.9 Ų27.928%0.27817%0.173SC..G310 helixtrans-62.5-18.2-170.2-57.4-59-176.9-175.30113.4T449 A451 H455 M456 N498T449-K453 PolarHBondContact O-NZ 2.83Å; A451-K453 PolarHBondContact O-N 2.92Å; K453-H455 PolarHBondContact O-N 3.43Å; K453-M456 PolarHBondContact O-N 3.15Å; K453-M456 VanDerWaalsContact O-N 3.12Å; K453-N498 HydrophobicContact CD-CB 4.35Å; K453-N498 HydrophobicContact CG-CB 4.46Å
454A76.4Confident85.2Confident72 Ų7228 Ų2860%0.59517%0.174SC*.G310 helixtrans-64.9-18171.900000113.7D452 M456D452-A454 PolarHBondContact O-N 3.48Å; D452-A454 WeakPolarHBondContact OD1-CB 3.43Å; D452-A454 PolarHBondContact OD1-N 3.32Å; A454-M456 VanDerWaalsContact C-N 3.29Å
455H78.2Confident85.2Confident3 Ų328.3 Ų28.31%0.01418%0.176CC..G310 helixtrans-72.7-19.4173.1-75.2-70.9000113.5L406 L408 S410 S414 D452 K453 T457 V460L406-H455 PolarHBondContact O-CD2 2.82Å; L406-H455 PolarHBondContact O-NE2 3.45Å; L408-H455 PolarHBondContact O-NE2 3.41Å; S410-H455 PolarHBondContact O-CE1 3.19Å; S410-H455 PolarHBondContact O-ND1 3.31Å; S414-H455 PolarHBondContact OG-O 3.29Å; D452-H455 WeakPolarHBondContact O-CB 3.47Å; D452-H455 PolarHBondContact O-CD2 2.82Å; D452-H455 PolarHBondContact O-N 3.01Å; K453-H455 PolarHBondContact O-N 3.43Å; H455-T457 PolarHBondContact O-N 2.85Å; H455-V460 WeakPolarHBondContact O-CG2 3.23Å
456M82.8Confident85.2Confident13 Ų1332.2 Ų32.26%0.06420%0.196CC..  trans-85.678-175.8-66.9-60.5-68.200111.1L448 K453 A454 L495 W496 T499L448-M456 HydrophobicContact CB-SD 4.42Å; L448-M456 HydrophobicContact CD2-SD 4.35Å; K453-M456 PolarHBondContact O-N 3.15Å; K453-M456 VanDerWaalsContact O-N 3.12Å; A454-M456 VanDerWaalsContact C-N 3.29Å; M456-L495 HydrophobicContact CE-CD1 3.53Å; M456-L495 HydrophobicContact CE-CD2 4.33Å; M456-L495 HydrophobicContact CE-CG 3.77Å; M456-L495 HydrophobicContact SD-CD1 3.8Å; M456-W496 HydrophobicContact CE-CD2 4.14Å; M456-W496 HydrophobicContact CE-CE3 3.61Å; M456-W496 HydrophobicContact CE-CH2 3.7Å; M456-W496 HydrophobicContact CE-CZ2 4.2Å; M456-W496 HydrophobicContact CE-CZ3 3.38Å; M456-T499 HydrophobicContact CB-CG2 3.43Å; M456-T499 VanDerWaalsContact CB-CG2 3.43Å; M456-T499 HydrophobicContact CE-CG2 4.04Å; M456-T499 HydrophobicContact CG-CG2 3.88Å
457T82.6Confident85.5Confident45 Ų4531.3 Ų31.328%0.27619%0.191SC..  trans-101.2163.5-178.8650000112.2H455 S459 V460 L461H455-T457 PolarHBondContact O-N 2.85Å; T457-S459 PolarHBondContact O-N 3.17Å; T457-S459 VanDerWaalsContact O-N 3.15Å; T457-S459 PolarHBondContact OG1-OG 3.11Å; T457-V460 WeakPolarHBondContact O-CB 3.37Å; T457-V460 PolarHBondContact O-N 2.56Å; T457-L461 PolarHBondContact O-N 3.07Å
458E83.3Confident85.7Confident91 Ų9130.8 Ų30.843%0.42519%0.187SC..Hα-helixtrans-57.9-29.1173.9-173.1172.7-161.700112.8V460 L461 N462 R507E458-V460 VanDerWaalsContact C-N 3.31Å; E458-V460 PolarHBondContact O-N 3.4Å; E458-L461 PolarHBondContact O-N 2.94Å; E458-N462 PolarHBondContact O-N 3.32Å; E458-N462 PolarHBondContact O-ND2 3.06Å; E458-R507 IonicContact OE1-CZ 3.51Å; E458-R507 IonicContact OE1-NH1 3.38Å; E458-R507 PolarHBondContact OE1-NH1 3.01Å
459S85.6Confident85.8Confident42 Ų4235.7 Ų35.729%0.29421%0.209SC..Hα-helixtrans-65.3-31175.472.90000113.6S415 T457 T463S415-S459 WeakPolarHBondContact CB-OG 3.26Å; S415-S459 PolarHBondContact OG-OG 2.97Å; T457-S459 PolarHBondContact O-N 3.17Å; T457-S459 VanDerWaalsContact O-N 3.15Å; T457-S459 PolarHBondContact OG1-OG 3.11Å; S459-T463 PolarHBondContact O-N 3.1Å; S459-T463 PolarHBondContact O-OG1 2.93Å
460V88.9Confident85.9Confident0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-67.2-47.8171.2166.90000110S414 L418 H455 T457 E458 T463 L464S414-V460 WeakPolarHBondContact OG-CG2 3.15Å; L418-V460 HydrophobicContact CD1-CB 4.4Å; L418-V460 HydrophobicContact CD1-CG1 3.6Å; L418-V460 HydrophobicContact CD1-CG2 4.24Å; H455-V460 WeakPolarHBondContact O-CG2 3.23Å; T457-V460 WeakPolarHBondContact O-CB 3.37Å; T457-V460 PolarHBondContact O-N 2.56Å; E458-V460 VanDerWaalsContact C-N 3.31Å; E458-V460 PolarHBondContact O-N 3.4Å; V460-T463 PolarHBondContact O-N 2.58Å; V460-L464 HydrophobicContact CG1-CD1 3.97Å; V460-L464 WeakPolarHBondContact O-CG 3.33Å; V460-L464 PolarHBondContact O-N 3.09Å
461L89.3Confident86.2Confident1 Ų133.6 Ų33.61%0.00518%0.184CC..Hα-helixtrans-60.7-46.4178.6178.161.8000112.1T457 E458 T463 L464 I465 W496 G504 R507 L508T457-L461 PolarHBondContact O-N 3.07Å; E458-L461 PolarHBondContact O-N 2.94Å; L461-T463 VanDerWaalsContact C-N 3.34Å; L461-T463 PolarHBondContact O-N 3.22Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-I465 HydrophobicContact CD1-CD1 3.95Å; L461-I465 HydrophobicContact CD1-CG1 4.19Å; L461-I465 HydrophobicContact CG-CD1 3.88Å; L461-I465 HydrophobicContact CG-CG1 4.48Å; L461-I465 WeakPolarHBondContact O-CG1 3.47Å; L461-I465 PolarHBondContact O-N 3.3Å; L461-W496 HydrophobicContact CB-CH2 4.24Å; L461-W496 HydrophobicContact CB-CZ3 4.32Å; L461-W496 HydrophobicContact CD1-CH2 3.87Å; L461-W496 HydrophobicContact CD1-CZ2 4.4Å; L461-W496 HydrophobicContact CD1-CZ3 4.26Å; L461-G504 WeakPolarHBondContact CD2-O 3.38Å; L461-R507 HydrophobicContact CD2-CB 4.37Å; L461-R507 HydrophobicContact CD2-CG 4.5Å; L461-L508 HydrophobicContact CD1-CB 3.97Å; L461-L508 HydrophobicContact CD1-CD1 3.92Å; L461-L508 HydrophobicContact CD1-CG 4.4Å; L461-L508 HydrophobicContact CD2-CB 4.37Å
462N89.5Confident86.3Confident53 Ų5335.4 Ų35.428%0.28319%0.192SC..Hα-helixtrans-54.1-50.4174.6-74.4-31.2000111.1E458 L464 I465 D466 R507E458-N462 PolarHBondContact O-N 3.32Å; E458-N462 PolarHBondContact O-ND2 3.06Å; N462-L464 VanDerWaalsContact C-N 3.27Å; N462-L464 PolarHBondContact O-N 3.36Å; N462-I465 PolarHBondContact O-N 2.85Å; N462-I465 VanDerWaalsContact O-N 3.1Å; N462-D466 PolarHBondContact O-N 3.47Å; N462-R507 PolarHBondContact OD1-NH1 3.17Å; N462-R507 PolarHBondContact OD1-NH2 3.02Å
463T91Very high86.2Confident19 Ų1937.9 Ų37.912%0.11721%0.208CC..Hα-helixtrans-59-38.1179.6-55.90000112.3L418 S459 V460 L461 T467L418-T463 HydrophobicContact CB-CG2 4.1Å; S459-T463 PolarHBondContact O-N 3.1Å; S459-T463 PolarHBondContact O-OG1 2.93Å; V460-T463 PolarHBondContact O-N 2.58Å; L461-T463 VanDerWaalsContact C-N 3.34Å; L461-T463 PolarHBondContact O-N 3.22Å; T463-T467 WeakPolarHBondContact O-CB 3.44Å; T463-T467 PolarHBondContact O-N 3.05Å; T463-T467 VanDerWaalsContact O-N 3.1Å; T463-T467 PolarHBondContact O-OG1 3.38Å
464L92.9Very high85.5Confident3 Ų340 Ų402%0.01623%0.229CC..Hα-helixtrans-71.6-37.1177-67.3169.9000112.3V460 L461 N462 T467 A468 L485 V489 L490 W496V460-L464 HydrophobicContact CG1-CD1 3.97Å; V460-L464 WeakPolarHBondContact O-CG 3.33Å; V460-L464 PolarHBondContact O-N 3.09Å; L461-L464 PolarHBondContact O-N 3.26Å; N462-L464 VanDerWaalsContact C-N 3.27Å; N462-L464 PolarHBondContact O-N 3.36Å; L464-T467 PolarHBondContact O-N 2.71Å; L464-A468 PolarHBondContact O-N 2.96Å; L464-L485 HydrophobicContact CD2-CD1 3.97Å; L464-V489 HydrophobicContact CD1-CG1 3.81Å; L464-V489 HydrophobicContact CD2-CG1 4.21Å; L464-L490 HydrophobicContact CB-CD2 4.36Å; L464-W496 HydrophobicContact CD1-CH2 3.95Å; L464-W496 HydrophobicContact CD1-CZ2 3.9Å
465I92Very high85.2Confident9 Ų939.1 Ų39.15%0.04622%0.218CC..Hα-helixtrans-66-47.5174.2-70172.4000110.8L461 N462 T467 A468 Q469 Y511L461-I465 HydrophobicContact CD1-CD1 3.95Å; L461-I465 HydrophobicContact CD1-CG1 4.19Å; L461-I465 HydrophobicContact CG-CD1 3.88Å; L461-I465 HydrophobicContact CG-CG1 4.48Å; L461-I465 WeakPolarHBondContact O-CG1 3.47Å; L461-I465 PolarHBondContact O-N 3.3Å; N462-I465 PolarHBondContact O-N 2.85Å; N462-I465 VanDerWaalsContact O-N 3.1Å; I465-T467 PolarHBondContact O-N 3.11Å; I465-A468 WeakPolarHBondContact O-CB 3.26Å; I465-A468 PolarHBondContact O-N 3.13Å; I465-Q469 HydrophobicContact CG2-CG 4.44Å; I465-Q469 WeakPolarHBondContact O-CG 3.38Å; I465-Q469 PolarHBondContact O-N 3.14Å; I465-Y511 HydrophobicContact CD1-CD1 4.31Å; I465-Y511 HydrophobicContact CD1-CG 4.28Å; I465-Y511 HydrophobicContact CG1-CD1 3.96Å; I465-Y511 HydrophobicContact CG1-CE1 4.08Å; I465-Y511 HydrophobicContact CG1-CG 4.36Å; I465-Y511 HydrophobicContact CG2-CD2 4.24Å; I465-Y511 HydrophobicContact CG2-CE1 4.24Å; I465-Y511 HydrophobicContact CG2-CE2 3.91Å
466D90.8Very high84.6Confident83 Ų8343.5 Ų43.544%0.44425%0.254SS..Hα-helixtrans-58.5-39.6176.8-61.2-20.6000110.9N462 Q469 F470N462-D466 PolarHBondContact O-N 3.47Å; D466-Q469 PolarHBondContact O-N 3.22Å; D466-F470 PolarHBondContact O-N 3.43Å; D466-F470 VanDerWaalsContact O-N 3.07Å
467T92.9Very high84Confident5 Ų544.4 Ų44.43%0.03126%0.261CS..Hα-helixtrans-65.4-42174.9-530000111.8S422 L425 F441 T463 L464 I465 F470 L471 L485S422-T467 VanDerWaalsContact CB-OG1 3.25Å; S422-T467 WeakPolarHBondContact CB-OG1 3.25Å; S422-T467 PolarHBondContact OG-OG1 2.47Å; L425-T467 HydrophobicContact CD2-CG2 4.33Å; F441-T467 HydrophobicContact CZ-CG2 4.03Å; T463-T467 WeakPolarHBondContact O-CB 3.44Å; T463-T467 PolarHBondContact O-N 3.05Å; T463-T467 VanDerWaalsContact O-N 3.1Å; T463-T467 PolarHBondContact O-OG1 3.38Å; L464-T467 PolarHBondContact O-N 2.71Å; I465-T467 PolarHBondContact O-N 3.11Å; T467-F470 PolarHBondContact O-N 3.04Å; T467-L471 HydrophobicContact CG2-CD1 4.04Å; T467-L471 WeakPolarHBondContact O-CB 3.33Å; T467-L471 VanDerWaalsContact O-CG 3.27Å; T467-L471 WeakPolarHBondContact O-CG 3Å; T467-L471 PolarHBondContact O-N 3.35Å; T467-L485 HydrophobicContact CG2-CD2 4.33Å
468A91.7Very high84Confident0 Ų042.7 Ų42.70%025%0.25CS..Hα-helixtrans-63.2-44.3175.600000111.6L464 I465 F470 L471 M472 L482 L485 L490 Y511 F516L464-A468 PolarHBondContact O-N 2.96Å; I465-A468 WeakPolarHBondContact O-CB 3.26Å; I465-A468 PolarHBondContact O-N 3.13Å; A468-F470 PolarHBondContact O-N 3.48Å; A468-L471 CarbonylContact O-C 3.5Å; A468-L471 PolarHBondContact O-N 3.47Å; A468-L471 VanDerWaalsContact O-N 3.16Å; A468-M472 VanDerWaalsContact O-CG 3.26Å; A468-M472 WeakPolarHBondContact O-CG 3.48Å; A468-M472 PolarHBondContact O-N 2.95Å; A468-L482 HydrophobicContact CB-CD1 4.12Å; A468-L485 HydrophobicContact CB-CD2 3.84Å; A468-L490 HydrophobicContact CB-CD1 4.41Å; A468-Y511 HydrophobicContact CB-CE1 4.44Å; A468-F516 HydrophobicContact CB-CD2 4.47Å; A468-F516 HydrophobicContact CB-CE2 4.28Å
469Q89.4Confident83.9Confident102 Ų10241.7 Ų41.748%0.47725%0.247SC..Hα-helixtrans-59.9-43.3177.4-70.5179.26.700112.4I465 D466 M472I465-Q469 HydrophobicContact CG2-CG 4.44Å; I465-Q469 WeakPolarHBondContact O-CG 3.38Å; I465-Q469 PolarHBondContact O-N 3.14Å; D466-Q469 PolarHBondContact O-N 3.22Å; Q469-M472 PolarHBondContact O-N 3.04Å
470F88.3Confident83.7Confident57 Ų5740.7 Ų40.725%0.2524%0.243CC..Hα-helixtrans-60.7-46.1172.7173.2-96.6000112L425 Q426 D466 T467 A468 M472 V473L425-F470 HydrophobicContact CD2-CD1 3.55Å; L425-F470 HydrophobicContact CD2-CE1 3.63Å; Q426-F470 HydrophobicContact CB-CD2 4.34Å; Q426-F470 HydrophobicContact CB-CE2 4.19Å; Q426-F470 HydrophobicContact CB-CZ 4.31Å; Q426-F470 HydrophobicContact CG-CB 4.17Å; Q426-F470 HydrophobicContact CG-CD1 3.91Å; Q426-F470 HydrophobicContact CG-CD2 3.79Å; Q426-F470 HydrophobicContact CG-CE1 4.25Å; Q426-F470 HydrophobicContact CG-CE2 4.12Å; Q426-F470 HydrophobicContact CG-CG 3.67Å; Q426-F470 HydrophobicContact CG-CZ 4.35Å; D466-F470 PolarHBondContact O-N 3.43Å; D466-F470 VanDerWaalsContact O-N 3.07Å; T467-F470 PolarHBondContact O-N 3.04Å; A468-F470 PolarHBondContact O-N 3.48Å; F470-M472 PolarHBondContact O-N 3.19Å; F470-V473 WeakPolarHBondContact O-CB 3.4Å; F470-V473 WeakPolarHBondContact O-CG2 3.45Å; F470-V473 PolarHBondContact O-N 3.24Å; F470-V473 VanDerWaalsContact O-N 3.12Å
471L88.1Confident83.7Confident2 Ų240.7 Ų40.71%0.0124%0.243CC..Hα-helixtrans-70.4-11.5-179-71173.9000114L425 F441 T467 A468 V473 N478 L481 L482 L485L425-L471 HydrophobicContact CD1-CD1 4.48Å; L425-L471 HydrophobicContact CD1-CD2 4.48Å; L425-L471 HydrophobicContact CD2-CD2 3.86Å; L425-L471 HydrophobicContact CD2-CG 4.13Å; F441-L471 HydrophobicContact CE2-CD1 4.16Å; F441-L471 HydrophobicContact CZ-CD1 4.3Å; T467-L471 HydrophobicContact CG2-CD1 4.04Å; T467-L471 WeakPolarHBondContact O-CB 3.33Å; T467-L471 VanDerWaalsContact O-CG 3.27Å; T467-L471 WeakPolarHBondContact O-CG 3Å; T467-L471 PolarHBondContact O-N 3.35Å; A468-L471 CarbonylContact O-C 3.5Å; A468-L471 PolarHBondContact O-N 3.47Å; A468-L471 VanDerWaalsContact O-N 3.16Å; L471-V473 PolarHBondContact O-N 3.27Å; L471-N478 HydrophobicContact CD2-CB 4.08Å; L471-L481 HydrophobicContact CD1-CB 3.87Å; L471-L481 HydrophobicContact CD2-CB 3.7Å; L471-L481 HydrophobicContact CD2-CD1 3.85Å; L471-L481 HydrophobicContact CD2-CG 4.43Å; L471-L481 HydrophobicContact CG-CB 4.43Å; L471-L482 HydrophobicContact CB-CB 4.02Å; L471-L482 HydrophobicContact CB-CD1 4Å; L471-L482 HydrophobicContact CB-CG 4.45Å; L471-L485 HydrophobicContact CD1-CD2 4.1Å
472M83.1Confident83.7Confident45 Ų4540.8 Ų40.822%0.22224%0.244CC..THydrogen-bonded Turntrans-74.2-13.9170.9-70.415774.800112.8A468 Q469 F470 P474 L482 F516 G519 A520A468-M472 VanDerWaalsContact O-CG 3.26Å; A468-M472 WeakPolarHBondContact O-CG 3.48Å; A468-M472 PolarHBondContact O-N 2.95Å; Q469-M472 PolarHBondContact O-N 3.04Å; F470-M472 PolarHBondContact O-N 3.19Å; M472-P474 WeakPolarHBondContact O-CD 3.44Å; M472-L482 HydrophobicContact CG-CD1 4.49Å; M472-L482 HydrophobicContact CG-CD2 3.74Å; M472-F516 HydrophobicContact SD-CD2 4.38Å; M472-G519 VanDerWaalsContact CE-C 3.46Å; M472-G519 VanDerWaalsContact CE-CA 3.48Å; M472-A520 HydrophobicContact CE-CB 4.28Å; M472-A520 HydrophobicContact CG-CB 4.18Å
473V78.1Confident83.6Confident87 Ų8743.7 Ų43.753%0.52725%0.251SS..SBendtrans-66.5123.6172.6179.80000109.7F470 L471 S475 N478F470-V473 WeakPolarHBondContact O-CB 3.4Å; F470-V473 WeakPolarHBondContact O-CG2 3.45Å; F470-V473 PolarHBondContact O-N 3.24Å; F470-V473 VanDerWaalsContact O-N 3.12Å; L471-V473 PolarHBondContact O-N 3.27Å; V473-S475 PolarHBondContact O-N 3.38Å; V473-N478 PolarHBondContact O-ND2 3.42Å
474P61.5Low83.5Confident109 Ų10943.6 Ų43.671%0.70825%0.249SC*.SBendtrans-61.6110-169.6-26.435.3000114.9M472M472-P474 WeakPolarHBondContact O-CD 3.44Å
475S69.6Low83.5Confident53 Ų5343.5 Ų43.537%0.37125%0.248SC..  trans-148152166.1168.60000109.2V473 T477 N478 L479V473-S475 PolarHBondContact O-N 3.38Å; S475-T477 VanDerWaalsContact C-N 3.33Å; S475-T477 PolarHBondContact O-N 3.12Å; S475-T477 PolarHBondContact OG-N 2.94Å; S475-T477 PolarHBondContact OG-OG1 2.87Å; S475-N478 PolarHBondContact O-N 3.21Å; S475-L479 PolarHBondContact O-N 2.79Å
476A64.7Low83.5Confident94 Ų9443 Ų4378%0.77725%0.246SC*.Hα-helixtrans-63.6-37.2177.800000112.4
477T70.5Confident83.2Confident33 Ų3341 Ų4120%0.20224%0.235CC..Hα-helixtrans-69.3-45.3174.148.70000111.3Q432 L433 S475 L479 G480 L481Q432-T477 PolarHBondContact OE1-OG1 3.15Å; L433-T477 HydrophobicContact CD2-CG2 3.61Å; L433-T477 HydrophobicContact CG-CG2 4.18Å; S475-T477 VanDerWaalsContact C-N 3.33Å; S475-T477 PolarHBondContact O-N 3.12Å; S475-T477 PolarHBondContact OG-N 2.94Å; S475-T477 PolarHBondContact OG-OG1 2.87Å; T477-L479 VanDerWaalsContact C-N 3.34Å; T477-L479 PolarHBondContact O-N 3.34Å; T477-G480 PolarHBondContact O-N 2.84Å; T477-L481 PolarHBondContact O-N 3.31Å
478N82Confident83Confident9 Ų942.2 Ų42.25%0.04824%0.239CC..Hα-helixtrans-60.2-41.8-179-73.31.3000112.3Q432 L471 V473 S475 G480 L481 L482Q432-N478 PolarHBondContact OE1-OD1 3.31Å; L471-N478 HydrophobicContact CD2-CB 4.08Å; V473-N478 PolarHBondContact O-ND2 3.42Å; S475-N478 PolarHBondContact O-N 3.21Å; N478-G480 VanDerWaalsContact C-N 3.3Å; N478-G480 PolarHBondContact O-N 3.09Å; N478-L481 PolarHBondContact O-N 3.28Å; N478-L482 VanDerWaalsContact O-CB 3.26Å; N478-L482 WeakPolarHBondContact O-CB 3.28Å; N478-L482 PolarHBondContact O-N 2.99Å
479L81.9Confident83Confident70 Ų7042.2 Ų42.237%0.36624%0.239SC..Hα-helixtrans-60.8-40.4178.2-17171.9000111.9S475 T477 R483 I522S475-L479 PolarHBondContact O-N 2.79Å; T477-L479 VanDerWaalsContact C-N 3.34Å; T477-L479 PolarHBondContact O-N 3.34Å; L479-R483 WeakPolarHBondContact O-CB 3.42Å; L479-R483 PolarHBondContact O-N 3.44Å; L479-R483 VanDerWaalsContact O-N 3.09Å; L479-I522 HydrophobicContact CD1-CG2 3.82Å
480G82.4Confident83.1Confident20 Ų2037.4 Ų37.421%0.20622%0.217CC..Hα-helixtrans-65.1-45.5174.900000112.6T477 N478 R483 Q484T477-G480 PolarHBondContact O-N 2.84Å; N478-G480 VanDerWaalsContact C-N 3.3Å; N478-G480 PolarHBondContact O-N 3.09Å; G480-R483 PolarHBondContact O-N 3.01Å; G480-Q484 WeakPolarHBondContact O-CG 2.99Å; G480-Q484 PolarHBondContact O-N 3.5Å
481L89Confident83.2Confident0 Ų035.2 Ų35.20%021%0.208CC..Hα-helixtrans-64.3-43.5177.9-74.9172.1000111.8L425 Q432 M435 M436 F441 L471 T477 N478 R483 Q484 L485L425-L481 HydrophobicContact CD1-CD1 3.98Å; L425-L481 HydrophobicContact CG-CD1 4.44Å; Q432-L481 HydrophobicContact CB-CD1 3.7Å; Q432-L481 HydrophobicContact CG-CD1 3.92Å; M435-L481 HydrophobicContact CB-CD2 3.94Å; M436-L481 HydrophobicContact CB-CD2 4.45Å; M436-L481 HydrophobicContact CG-CD1 4.37Å; M436-L481 HydrophobicContact CG-CD2 3.63Å; M436-L481 HydrophobicContact CG-CG 3.62Å; M436-L481 HydrophobicContact SD-CB 4.25Å; M436-L481 HydrophobicContact SD-CD2 3.63Å; M436-L481 HydrophobicContact SD-CG 3.6Å; M436-L481 VanDerWaalsContact SD-CG 3.6Å; M436-L481 PolarHBondContact SD-N 3.45Å; F441-L481 HydrophobicContact CD2-CD2 4.15Å; F441-L481 HydrophobicContact CE2-CB 4.17Å; F441-L481 HydrophobicContact CE2-CD2 3.96Å; L471-L481 HydrophobicContact CD1-CB 3.87Å; L471-L481 HydrophobicContact CD2-CB 3.7Å; L471-L481 HydrophobicContact CD2-CD1 3.85Å; L471-L481 HydrophobicContact CD2-CG 4.43Å; L471-L481 HydrophobicContact CG-CB 4.43Å; T477-L481 PolarHBondContact O-N 3.31Å; N478-L481 PolarHBondContact O-N 3.28Å; L481-R483 VanDerWaalsContact C-N 3.28Å; L481-R483 PolarHBondContact O-N 3Å; L481-Q484 PolarHBondContact O-N 2.92Å; L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 PolarHBondContact O-N 3.46Å
482L89.5Confident83.2Confident3 Ų336.3 Ų36.32%0.01621%0.214CC..Hα-helixtrans-61.1-39.6177.8-171.855.6000111.2A468 L471 M472 N478 L485 F486 F516 A520 I522A468-L482 HydrophobicContact CB-CD1 4.12Å; L471-L482 HydrophobicContact CB-CB 4.02Å; L471-L482 HydrophobicContact CB-CD1 4Å; L471-L482 HydrophobicContact CB-CG 4.45Å; M472-L482 HydrophobicContact CG-CD1 4.49Å; M472-L482 HydrophobicContact CG-CD2 3.74Å; N478-L482 VanDerWaalsContact O-CB 3.26Å; N478-L482 WeakPolarHBondContact O-CB 3.28Å; N478-L482 PolarHBondContact O-N 2.99Å; L482-L485 PolarHBondContact O-N 3Å; L482-F486 WeakPolarHBondContact O-CB 2.87Å; L482-F486 PolarHBondContact O-N 3.3Å; L482-F516 HydrophobicContact CD1-CE2 3.85Å; L482-F516 HydrophobicContact CD1-CZ 4.38Å; L482-A520 HydrophobicContact CD2-CB 4.26Å; L482-I522 HydrophobicContact CB-CG2 4.21Å; L482-I522 HydrophobicContact CD2-CG2 3.6Å; L482-I522 HydrophobicContact CG-CG2 3.77Å
483R85.9Confident83.4Confident115 Ų11534.4 Ų34.443%0.43421%0.205SC..Hα-helixtrans-65.3-45.4173.3-178.8174.5175.1-178.6-1.2112.2L479 G480 L481 L485 F486 D487 M526L479-R483 WeakPolarHBondContact O-CB 3.42Å; L479-R483 PolarHBondContact O-N 3.44Å; L479-R483 VanDerWaalsContact O-N 3.09Å; G480-R483 PolarHBondContact O-N 3.01Å; L481-R483 VanDerWaalsContact C-N 3.28Å; L481-R483 PolarHBondContact O-N 3Å; R483-L485 VanDerWaalsContact C-N 3.34Å; R483-L485 PolarHBondContact O-N 3.09Å; R483-F486 PolarHBondContact O-N 2.92Å; R483-D487 VanDerWaalsContact CG-OD2 3.25Å; R483-D487 WeakPolarHBondContact CG-OD2 3.39Å; R483-D487 IonicContact CZ-OD2 3.27Å; R483-D487 IonicContact NE-OD2 3.79Å; R483-D487 PolarHBondContact NE-OD2 2.79Å; R483-D487 VanDerWaalsContact NE-OD2 3.08Å; R483-D487 IonicContact NH2-OD2 3.09Å; R483-D487 WeakPolarHBondContact O-CB 3.34Å; R483-D487 PolarHBondContact O-N 2.95Å; R483-M526 HydrophobicContact CG-SD 4.29Å
484Q89.4Confident83.6Confident17 Ų1732.8 Ų32.88%0.07919%0.193CC..Hα-helixtrans-62.9-40.5176.1-64.2-173.610.100112.1M436 N439 F441 G480 L481 F486 Y488M436-Q484 PolarHBondContact O-NE2 3.34Å; N439-Q484 PolarHBondContact OD1-NE2 3.3Å; N439-Q484 VanDerWaalsContact OD1-NE2 3.13Å; F441-Q484 HydrophobicContact CB-CB 3.83Å; F441-Q484 HydrophobicContact CD2-CB 4.18Å; F441-Q484 HydrophobicContact CG-CB 4.48Å; G480-Q484 WeakPolarHBondContact O-CG 2.99Å; G480-Q484 PolarHBondContact O-N 3.5Å; L481-Q484 PolarHBondContact O-N 2.92Å; Q484-F486 VanDerWaalsContact C-N 3.34Å; Q484-Y488 HydrophobicContact CB-CD2 3.96Å; Q484-Y488 HydrophobicContact CB-CE2 4.1Å; Q484-Y488 HydrophobicContact CG-CD2 4.49Å; Q484-Y488 HydrophobicContact CG-CE2 4.13Å; Q484-Y488 WeakPolarHBondContact O-CB 3.29Å; Q484-Y488 WeakPolarHBondContact O-CD2 3.46Å; Q484-Y488 PolarHBondContact O-N 3.49Å
485L93Very high84.8Confident0 Ų027.6 Ų27.60%016%0.159CC..Hα-helixtrans-61.6-42.6174.9175.162.5000111.2F441 L464 T467 A468 L471 L481 L482 R483 V489 L490F441-L485 HydrophobicContact CD1-CB 4.2Å; F441-L485 HydrophobicContact CD1-CD1 3.82Å; F441-L485 HydrophobicContact CD2-CB 4.06Å; F441-L485 HydrophobicContact CE1-CB 4.32Å; F441-L485 HydrophobicContact CE1-CD1 3.74Å; F441-L485 HydrophobicContact CE1-CG 4.45Å; F441-L485 HydrophobicContact CE2-CB 4.15Å; F441-L485 HydrophobicContact CG-CB 4.08Å; F441-L485 HydrophobicContact CZ-CB 4.29Å; F441-L485 HydrophobicContact CZ-CD1 4.35Å; L464-L485 HydrophobicContact CD2-CD1 3.97Å; T467-L485 HydrophobicContact CG2-CD2 4.33Å; A468-L485 HydrophobicContact CB-CD2 3.84Å; L471-L485 HydrophobicContact CD1-CD2 4.1Å; L481-L485 WeakPolarHBondContact O-CB 3.41Å; L481-L485 PolarHBondContact O-N 3.46Å; L482-L485 PolarHBondContact O-N 3Å; R483-L485 VanDerWaalsContact C-N 3.34Å; R483-L485 PolarHBondContact O-N 3.09Å; L485-V489 HydrophobicContact CD1-CB 4.07Å; L485-V489 HydrophobicContact CD1-CG2 4.24Å; L485-V489 WeakPolarHBondContact O-CA 3.46Å; L485-V489 WeakPolarHBondContact O-CB 3.35Å; L485-V489 PolarHBondContact O-N 2.91Å; L485-V489 VanDerWaalsContact O-N 3.13Å; L485-L490 HydrophobicContact CD1-CG 4.38Å; L485-L490 HydrophobicContact CG-CD1 4.09Å; L485-L490 HydrophobicContact CG-CG 4.16Å; L485-L490 PolarHBondContact O-N 3.18Å
486F90.9Very high85.6Confident0 Ų025.3 Ų25.30%014%0.142CC..Iπ-helixtrans-65.6-58.8175.5-177.9-102.8000112.2L482 R483 Q484 Y488 L490 L491 L512 F516 I522 F523 M526 T531L482-F486 WeakPolarHBondContact O-CB 2.87Å; L482-F486 PolarHBondContact O-N 3.3Å; R483-F486 PolarHBondContact O-N 2.92Å; Q484-F486 VanDerWaalsContact C-N 3.34Å; F486-Y488 PolarHBondContact O-N 3.3Å; F486-L490 HydrophobicContact CD2-CB 4.45Å; F486-L490 PolarHBondContact O-N 3Å; F486-L491 HydrophobicContact CE1-CB 4.26Å; F486-L491 HydrophobicContact CE1-CD2 3.64Å; F486-L491 HydrophobicContact CE2-CB 4.24Å; F486-L491 HydrophobicContact CZ-CB 4.13Å; F486-L491 HydrophobicContact CZ-CD2 3.64Å; F486-L491 HydrophobicContact CZ-CG 4.35Å; F486-L491 WeakPolarHBondContact O-CB 3.29Å; F486-L491 PolarHBondContact O-N 3.32Å; F486-L512 HydrophobicContact CD2-CD2 4.16Å; F486-L512 HydrophobicContact CE2-CD2 4.02Å; F486-F516 HydrophobicContact CB-CZ 4.17Å; F486-F516 HydrophobicContact CD2-CD1 4.45Å; F486-F516 AromaticContact CD2-CE1 3.34Å; F486-F516 HydrophobicContact CD2-CE1 3.34Å; F486-F516 AromaticContact CD2-CZ 3.5Å; F486-F516 HydrophobicContact CD2-CZ 3.5Å; F486-F516 HydrophobicContact CE2-CD1 4.44Å; F486-F516 AromaticContact CE2-CE1 3.59Å; F486-F516 HydrophobicContact CE2-CE1 3.59Å; F486-F516 HydrophobicContact CE2-CZ 4.24Å; F486-F516 HydrophobicContact CG-CE1 4.24Å; F486-F516 HydrophobicContact CG-CZ 4.13Å; F486-I522 HydrophobicContact CB-CD1 4.25Å; F486-I522 HydrophobicContact CD1-CD1 4.34Å; F486-I522 HydrophobicContact CD2-CD1 4.29Å; F486-I522 HydrophobicContact CG-CD1 4.04Å; F486-F523 HydrophobicContact CE2-CZ 4.24Å; F486-F523 HydrophobicContact CZ-CE1 4.18Å; F486-F523 HydrophobicContact CZ-CZ 4.11Å; F486-M526 HydrophobicContact CD1-CE 3.68Å; F486-M526 HydrophobicContact CD1-SD 3.6Å; F486-M526 HydrophobicContact CE1-CE 3.41Å; F486-M526 VanDerWaalsContact CE1-CE 3.41Å; F486-M526 HydrophobicContact CE1-SD 3.86Å; F486-M526 HydrophobicContact CZ-CE 4.08Å; F486-T531 HydrophobicContact CE1-CG2 4.08Å; F486-T531 HydrophobicContact CZ-CG2 4.01Å
487D85.4Confident86.4Confident39 Ų3921 Ų2121%0.20911%0.106CC..Iπ-helixtrans-64-33.7-172.4-72.2-17.8000113R483R483-D487 VanDerWaalsContact CG-OD2 3.25Å; R483-D487 WeakPolarHBondContact CG-OD2 3.39Å; R483-D487 IonicContact CZ-OD2 3.27Å; R483-D487 IonicContact NE-OD2 3.79Å; R483-D487 PolarHBondContact NE-OD2 2.79Å; R483-D487 VanDerWaalsContact NE-OD2 3.08Å; R483-D487 IonicContact NH2-OD2 3.09Å; R483-D487 WeakPolarHBondContact O-CB 3.34Å; R483-D487 PolarHBondContact O-N 2.95Å
488Y89.3Confident86.5Confident32 Ų3220 Ų2013%0.12510%0.1CC..Iπ-helixtrans-109.1-17.5-173.1-53.6-56.8000115.3L442 Q484 F486 N492 N1215 R1377L442-Y488 HydrophobicContact CB-CD1 4.47Å; L442-Y488 HydrophobicContact CB-CD2 3.74Å; L442-Y488 HydrophobicContact CB-CE2 3.95Å; L442-Y488 HydrophobicContact CB-CG 4.04Å; L442-Y488 HydrophobicContact CD1-CD1 3.85Å; L442-Y488 HydrophobicContact CD1-CE1 4.04Å; L442-Y488 HydrophobicContact CD1-CG 4.16Å; Q484-Y488 HydrophobicContact CB-CD2 3.96Å; Q484-Y488 HydrophobicContact CB-CE2 4.1Å; Q484-Y488 HydrophobicContact CG-CD2 4.49Å; Q484-Y488 HydrophobicContact CG-CE2 4.13Å; Q484-Y488 WeakPolarHBondContact O-CB 3.29Å; Q484-Y488 WeakPolarHBondContact O-CD2 3.46Å; Q484-Y488 PolarHBondContact O-N 3.49Å; F486-Y488 PolarHBondContact O-N 3.3Å; Y488-N492 PolarHBondContact O-ND2 3.44Å; Y488-N1215 WeakPolarHBondContact CE1-ND2 3.29Å; Y488-R1377 PolarHBondContact OH-NH2 3.12Å
489V91.9Very high86.2Confident0 Ų020 Ų200%010%0.1CC..Iπ-helixtrans-124.4-55.3-175.8-165.80000112.5F441 I444 L448 L464 L485 L495 W496F441-V489 HydrophobicContact CB-CG2 4.38Å; F441-V489 HydrophobicContact CD1-CG2 4.4Å; F441-V489 WeakPolarHBondContact O-CG2 3.28Å; I444-V489 HydrophobicContact CG2-CG2 4.4Å; L448-V489 HydrophobicContact CD1-CG1 4.44Å; L464-V489 HydrophobicContact CD1-CG1 3.81Å; L464-V489 HydrophobicContact CD2-CG1 4.21Å; L485-V489 HydrophobicContact CD1-CB 4.07Å; L485-V489 HydrophobicContact CD1-CG2 4.24Å; L485-V489 WeakPolarHBondContact O-CA 3.46Å; L485-V489 WeakPolarHBondContact O-CB 3.35Å; L485-V489 PolarHBondContact O-N 2.91Å; L485-V489 VanDerWaalsContact O-N 3.13Å; V489-L495 HydrophobicContact CG1-CD2 3.88Å; V489-W496 PolarHBondContact O-NE1 3.41Å
490L91.3Very high85.4Confident0 Ų022.2 Ų22.20%011%0.112CC..Iπ-helixtrans-74.2-45-174.9-56.3176.1000112L464 A468 L485 F486 N492 L508 L512 F516L464-L490 HydrophobicContact CB-CD2 4.36Å; A468-L490 HydrophobicContact CB-CD1 4.41Å; L485-L490 HydrophobicContact CD1-CG 4.38Å; L485-L490 HydrophobicContact CG-CD1 4.09Å; L485-L490 HydrophobicContact CG-CG 4.16Å; L485-L490 PolarHBondContact O-N 3.18Å; F486-L490 HydrophobicContact CD2-CB 4.45Å; F486-L490 PolarHBondContact O-N 3Å; L490-N492 VanDerWaalsContact C-N 3.26Å; L490-N492 PolarHBondContact O-N 3.43Å; L490-L508 HydrophobicContact CB-CD1 4.33Å; L490-L508 HydrophobicContact CD2-CD1 3.88Å; L490-L512 HydrophobicContact CB-CD2 4.21Å; L490-L512 HydrophobicContact CD1-CD2 4.24Å; L490-F516 HydrophobicContact CD1-CE2 4.03Å; L490-F516 HydrophobicContact CD1-CZ 4.28Å
491L89.2Confident84Confident11 Ų1122 Ų226%0.05811%0.11CC..THydrogen-bonded Turntrans-92.543.8177.1-166.262.9000112F486 T531 Q534 L535F486-L491 HydrophobicContact CE1-CB 4.26Å; F486-L491 HydrophobicContact CE1-CD2 3.64Å; F486-L491 HydrophobicContact CE2-CB 4.24Å; F486-L491 HydrophobicContact CZ-CB 4.13Å; F486-L491 HydrophobicContact CZ-CD2 3.64Å; F486-L491 HydrophobicContact CZ-CG 4.35Å; F486-L491 WeakPolarHBondContact O-CB 3.29Å; F486-L491 PolarHBondContact O-N 3.32Å; L491-T531 HydrophobicContact CD2-CG2 3.85Å; L491-Q534 HydrophobicContact CD2-CB 4.15Å; L491-Q534 VanDerWaalsContact CD2-OE1 3.26Å; L491-L535 HydrophobicContact CD1-CD2 3.61Å; L491-L535 HydrophobicContact CD1-CG 4.32Å
492N88.1Confident82.4Confident26 Ų2629.8 Ų29.814%0.13914%0.144CC..  trans-118.288.3179.6-175.2-0.5000110.6T449 Y488 L490 D494 L495 W496T449-N492 PolarHBondContact OG1-ND2 3.31Å; Y488-N492 PolarHBondContact O-ND2 3.44Å; L490-N492 VanDerWaalsContact C-N 3.26Å; L490-N492 PolarHBondContact O-N 3.43Å; N492-D494 PolarHBondContact O-N 3.14Å; N492-D494 WeakPolarHBondContact OD1-CB 3.15Å; N492-D494 PolarHBondContact OD1-N 3.26Å; N492-L495 HydrophobicContact CB-CB 4.1Å; N492-L495 WeakPolarHBondContact O-CB 3.36Å; N492-L495 PolarHBondContact O-N 3.06Å; N492-L495 VanDerWaalsContact O-N 3.12Å; N492-W496 PolarHBondContact O-N 3.22Å
493P87.3Confident80.8Confident5 Ų533.2 Ų33.23%0.03217%0.165CC..Hα-helixtrans-62.3-29.7-175.326.8-35.8000113L495 W496 I497 A538 Y542 Y543P493-L495 VanDerWaalsContact C-N 3.25Å; P493-L495 PolarHBondContact O-N 3.27Å; P493-W496 PolarHBondContact O-N 3Å; P493-I497 WeakPolarHBondContact O-CB 3.31Å; P493-I497 VanDerWaalsContact O-CG2 3.32Å; P493-I497 WeakPolarHBondContact O-CG2 3.31Å; P493-I497 PolarHBondContact O-N 2.82Å; P493-A538 HydrophobicContact CB-CB 4.08Å; P493-A538 HydrophobicContact CG-CB 3.99Å; P493-Y542 HydrophobicContact CB-CD1 4.1Å; P493-Y542 HydrophobicContact CB-CD2 3.83Å; P493-Y542 HydrophobicContact CB-CE1 4.5Å; P493-Y542 HydrophobicContact CB-CE2 4.25Å; P493-Y542 HydrophobicContact CB-CG 3.75Å; P493-Y542 HydrophobicContact CG-CD2 3.73Å; P493-Y542 HydrophobicContact CG-CE2 3.76Å; P493-Y542 HydrophobicContact CG-CG 4.18Å; P493-Y543 HydrophobicContact CB-CE2 3.88Å
494D82.8Confident80.1Confident52 Ų5228.4 Ų28.428%0.27815%0.151SC..Hα-helixtrans-61.7-32.2177.1-150.557.7000113T449 N492 Y542T449-D494 HydrophobicContact CG2-CB 4.25Å; T449-D494 WeakPolarHBondContact CG2-OD2 3.42Å; N492-D494 PolarHBondContact O-N 3.14Å; N492-D494 WeakPolarHBondContact OD1-CB 3.15Å; N492-D494 PolarHBondContact OD1-N 3.26Å; D494-Y542 HydrophobicContact CB-CE1 4.06Å; D494-Y542 VanDerWaalsContact OD1-CE1 3.31Å; D494-Y542 WeakPolarHBondContact OD1-CE1 3.21Å; D494-Y542 PolarHBondContact OD1-OH 3.24Å
495L86.3Confident79.6Confident0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-73-43.9174.6172.359.4000111.9L448 M456 V489 N492 P493L448-L495 VanDerWaalsContact C-CD1 3.45Å; L448-L495 HydrophobicContact CB-CD1 3.53Å; L448-L495 HydrophobicContact CB-CD2 4.34Å; L448-L495 WeakPolarHBondContact O-CD1 2.88Å; M456-L495 HydrophobicContact CE-CD1 3.53Å; M456-L495 HydrophobicContact CE-CD2 4.33Å; M456-L495 HydrophobicContact CE-CG 3.77Å; M456-L495 HydrophobicContact SD-CD1 3.8Å; V489-L495 HydrophobicContact CG1-CD2 3.88Å; N492-L495 HydrophobicContact CB-CB 4.1Å; N492-L495 WeakPolarHBondContact O-CB 3.36Å; N492-L495 PolarHBondContact O-N 3.06Å; N492-L495 VanDerWaalsContact O-N 3.12Å; P493-L495 VanDerWaalsContact C-N 3.25Å; P493-L495 PolarHBondContact O-N 3.27Å
496W87.2Confident79.2Confident5 Ų529.2 Ų29.22%0.01916%0.157CC..Hα-helixtrans-93.7-24.6-165.9-64.3108.1000115M456 L461 L464 V489 N492 P493 N498 T499 V505 L508M456-W496 HydrophobicContact CE-CD2 4.14Å; M456-W496 HydrophobicContact CE-CE3 3.61Å; M456-W496 HydrophobicContact CE-CH2 3.7Å; M456-W496 HydrophobicContact CE-CZ2 4.2Å; M456-W496 HydrophobicContact CE-CZ3 3.38Å; L461-W496 HydrophobicContact CB-CH2 4.24Å; L461-W496 HydrophobicContact CB-CZ3 4.32Å; L461-W496 HydrophobicContact CD1-CH2 3.87Å; L461-W496 HydrophobicContact CD1-CZ2 4.4Å; L461-W496 HydrophobicContact CD1-CZ3 4.26Å; L464-W496 HydrophobicContact CD1-CH2 3.95Å; L464-W496 HydrophobicContact CD1-CZ2 3.9Å; V489-W496 PolarHBondContact O-NE1 3.41Å; N492-W496 PolarHBondContact O-N 3.22Å; P493-W496 PolarHBondContact O-N 3Å; W496-N498 PolarHBondContact O-N 3.07Å; W496-T499 HydrophobicContact CE3-CG2 4.29Å; W496-T499 WeakPolarHBondContact O-CG2 3.3Å; W496-T499 PolarHBondContact O-N 3.24Å; W496-T499 PolarHBondContact O-OG1 3.4Å; W496-V505 HydrophobicContact CB-CG1 4.27Å; W496-V505 HydrophobicContact CB-CG2 4.29Å; W496-V505 WeakPolarHBondContact O-CG2 3.45Å; W496-L508 HydrophobicContact CB-CD2 4.47Å; W496-L508 VanDerWaalsContact CD1-CD2 3.44Å; W496-L508 HydrophobicContact CD2-CD2 3.55Å; W496-L508 VanDerWaalsContact CE2-CD2 3.46Å; W496-L508 HydrophobicContact CE3-CD2 4.27Å; W496-L508 HydrophobicContact CG-CD2 3.59Å; W496-L508 HydrophobicContact CZ2-CD2 4.11Å
497I81.4Confident79Confident4 Ų433.7 Ų33.72%0.02117%0.174CC..THydrogen-bonded Turntrans-55.3-45.6-173-175.462.9000113.5P493 T499 Y542 Y543 P560P493-I497 WeakPolarHBondContact O-CB 3.31Å; P493-I497 VanDerWaalsContact O-CG2 3.32Å; P493-I497 WeakPolarHBondContact O-CG2 3.31Å; P493-I497 PolarHBondContact O-N 2.82Å; I497-T499 PolarHBondContact O-N 3.49Å; I497-Y542 HydrophobicContact CB-CD1 4.13Å; I497-Y542 HydrophobicContact CG1-CD1 4.33Å; I497-Y542 HydrophobicContact CG2-CD1 3.96Å; I497-Y542 HydrophobicContact CG2-CE1 4.33Å; I497-Y543 HydrophobicContact CD1-CD1 3.85Å; I497-Y543 HydrophobicContact CD1-CE1 3.56Å; I497-P560 HydrophobicContact CD1-CG 4.39Å; I497-P560 WeakPolarHBondContact O-CD 3.36Å
498N73.4Confident79.3Confident12 Ų1231.8 Ų31.86%0.06416%0.164CC..THydrogen-bonded Turntrans-97.731.1-173.8-60.7-11.5000113K453 W496 D556K453-N498 HydrophobicContact CD-CB 4.35Å; K453-N498 HydrophobicContact CG-CB 4.46Å; W496-N498 PolarHBondContact O-N 3.07Å; N498-D556 PolarHBondContact ND2-O 3.24Å
499T74.2Confident79.4Confident8 Ų830.3 Ų30.35%0.04916%0.158CC..SBendtrans-91.2146.4176.562.70000110.4M456 W496 I497 G501 V505M456-T499 HydrophobicContact CB-CG2 3.43Å; M456-T499 VanDerWaalsContact CB-CG2 3.43Å; M456-T499 HydrophobicContact CE-CG2 4.04Å; M456-T499 HydrophobicContact CG-CG2 3.88Å; W496-T499 HydrophobicContact CE3-CG2 4.29Å; W496-T499 WeakPolarHBondContact O-CG2 3.3Å; W496-T499 PolarHBondContact O-N 3.24Å; W496-T499 PolarHBondContact O-OG1 3.4Å; I497-T499 PolarHBondContact O-N 3.49Å; T499-G501 WeakPolarHBondContact O-CA 3.47Å; T499-G501 PolarHBondContact O-N 3.4Å; T499-V505 WeakPolarHBondContact OG1-CG2 3.5Å
500D65Low79.3Confident118 Ų11830.8 Ų30.863%0.63116%0.162SC*.  trans-58.2108.4-177.2-177.86.9000109.8K502D500-K502 PolarHBondContact O-N 2.86Å
501G53.5Low79.3Confident15 Ų1531.4 Ų31.416%0.15517%0.165CC..THydrogen-bonded Turntrans-71.24.9-150.300000116T499 V503 Q564T499-G501 WeakPolarHBondContact O-CA 3.47Å; T499-G501 PolarHBondContact O-N 3.4Å; G501-V503 VanDerWaalsContact C-N 3.31Å; G501-V503 PolarHBondContact O-N 3.28Å; G501-V503 VanDerWaalsContact O-N 3.11Å; G501-Q564 PolarHBondContact O-NE2 2.82Å
502K55.3Low79.4Confident164 Ų16430.9 Ų30.971%0.71316%0.162SC*.THydrogen-bonded Turntrans-54.6-38.1-165-70.4-176.7179.7173.90114.7D500D500-K502 PolarHBondContact O-N 2.86Å
503V56.3Low79.4Confident74 Ų7429.7 Ų29.745%0.44816%0.156SC..SBendtrans-150.4-30.7175.2-168.50000114.2G501 V505 R507G501-V503 VanDerWaalsContact C-N 3.31Å; G501-V503 PolarHBondContact O-N 3.28Å; G501-V503 VanDerWaalsContact O-N 3.11Å; V503-V505 PolarHBondContact O-N 2.99Å; V503-R507 HydrophobicContact CG1-CB 4.21Å; V503-R507 WeakPolarHBondContact O-CB 3.25Å; V503-R507 PolarHBondContact O-N 3.23Å; V503-R507 VanDerWaalsContact O-N 3.1Å
504G70.9Confident79.5Confident14 Ų1432 Ų3214%0.14417%0.17CC..Hα-helixtrans-55.4-55.4-160.300000116.3L461 R507 L508L461-G504 WeakPolarHBondContact CD2-O 3.38Å; G504-R507 PolarHBondContact O-N 3.09Å; G504-L508 PolarHBondContact O-N 3.27Å
505V80Confident79.6Confident3 Ų334.3 Ų34.32%0.01818%0.183CC..Hα-helixtrans-66-43.9-173.1-168.70000111.9W496 T499 V503 R507 L508 Y509 Y543 I568W496-V505 HydrophobicContact CB-CG1 4.27Å; W496-V505 HydrophobicContact CB-CG2 4.29Å; W496-V505 WeakPolarHBondContact O-CG2 3.45Å; T499-V505 WeakPolarHBondContact OG1-CG2 3.5Å; V503-V505 PolarHBondContact O-N 2.99Å; V505-R507 VanDerWaalsContact C-N 3.3Å; V505-R507 PolarHBondContact O-N 3.43Å; V505-L508 WeakPolarHBondContact O-CB 3.24Å; V505-L508 PolarHBondContact O-N 3.45Å; V505-Y509 HydrophobicContact CG1-CD2 3.89Å; V505-Y509 HydrophobicContact CG1-CE2 3.77Å; V505-Y509 WeakPolarHBondContact O-CD2 3.27Å; V505-Y509 PolarHBondContact O-N 3.27Å; V505-Y509 VanDerWaalsContact O-N 3.09Å; V505-Y543 HydrophobicContact CG1-CE1 4.29Å; V505-I568 HydrophobicContact CB-CD1 3.9Å; V505-I568 HydrophobicContact CG1-CD1 3.59Å; V505-I568 HydrophobicContact CG1-CG1 4.13Å
506T83.4Confident79.7Confident31 Ų3134.3 Ų34.319%0.1918%0.183CC..Hα-helixtrans-60.7-41.4176.4-49.60000111.2G510 A567 Y571T506-G510 PolarHBondContact O-N 3.18Å; T506-A567 HydrophobicContact CG2-CB 3.84Å; T506-Y571 HydrophobicContact CG2-CD2 4.27Å; T506-Y571 HydrophobicContact CG2-CE2 3.78Å
507R87.3Confident79.5Confident94 Ų9435.7 Ų35.736%0.35519%0.189SC..Hα-helixtrans-66.4-38175.7-177.2171.2174.6-140.5-18112.8E458 L461 N462 V503 G504 V505 Y511E458-R507 IonicContact OE1-CZ 3.51Å; E458-R507 IonicContact OE1-NH1 3.38Å; E458-R507 PolarHBondContact OE1-NH1 3.01Å; L461-R507 HydrophobicContact CD2-CB 4.37Å; L461-R507 HydrophobicContact CD2-CG 4.5Å; N462-R507 PolarHBondContact OD1-NH1 3.17Å; N462-R507 PolarHBondContact OD1-NH2 3.02Å; V503-R507 HydrophobicContact CG1-CB 4.21Å; V503-R507 WeakPolarHBondContact O-CB 3.25Å; V503-R507 PolarHBondContact O-N 3.23Å; V503-R507 VanDerWaalsContact O-N 3.1Å; G504-R507 PolarHBondContact O-N 3.09Å; V505-R507 VanDerWaalsContact C-N 3.3Å; V505-R507 PolarHBondContact O-N 3.43Å; R507-Y511 WeakPolarHBondContact O-CB 3.42Å; R507-Y511 PolarHBondContact O-N 3.14Å
508L91.1Very high79.4Confident0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-60.7-54.9174.9171.263.8000111.5L461 L490 W496 G504 V505 G510 Y511 L512L461-L508 HydrophobicContact CD1-CB 3.97Å; L461-L508 HydrophobicContact CD1-CD1 3.92Å; L461-L508 HydrophobicContact CD1-CG 4.4Å; L461-L508 HydrophobicContact CD2-CB 4.37Å; L490-L508 HydrophobicContact CB-CD1 4.33Å; L490-L508 HydrophobicContact CD2-CD1 3.88Å; W496-L508 HydrophobicContact CB-CD2 4.47Å; W496-L508 VanDerWaalsContact CD1-CD2 3.44Å; W496-L508 HydrophobicContact CD2-CD2 3.55Å; W496-L508 VanDerWaalsContact CE2-CD2 3.46Å; W496-L508 HydrophobicContact CE3-CD2 4.27Å; W496-L508 HydrophobicContact CG-CD2 3.59Å; W496-L508 HydrophobicContact CZ2-CD2 4.11Å; G504-L508 PolarHBondContact O-N 3.27Å; V505-L508 WeakPolarHBondContact O-CB 3.24Å; V505-L508 PolarHBondContact O-N 3.45Å; L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.31Å; L508-Y511 PolarHBondContact O-N 2.89Å; L508-L512 HydrophobicContact CD1-CD1 4.22Å; L508-L512 HydrophobicContact CD1-CG 4.21Å; L508-L512 HydrophobicContact CG-CD1 4.33Å; L508-L512 WeakPolarHBondContact O-CG 3.38Å; L508-L512 PolarHBondContact O-N 2.92Å
509Y90.9Very high79.2Confident1 Ų142.4 Ų42.40%0.00424%0.235CC..Hα-helixtrans-67.5-32.5-179.9-74-76000112.2V505 L512 A513 Y543 I568 I572V505-Y509 HydrophobicContact CG1-CD2 3.89Å; V505-Y509 HydrophobicContact CG1-CE2 3.77Å; V505-Y509 WeakPolarHBondContact O-CD2 3.27Å; V505-Y509 PolarHBondContact O-N 3.27Å; V505-Y509 VanDerWaalsContact O-N 3.09Å; Y509-L512 HydrophobicContact CD1-CD1 4.23Å; Y509-L512 HydrophobicContact CE1-CD1 4.44Å; Y509-L512 PolarHBondContact O-N 3.37Å; Y509-A513 VanDerWaalsContact O-CB 3.3Å; Y509-A513 WeakPolarHBondContact O-CB 3.26Å; Y509-A513 PolarHBondContact O-N 3.26Å; Y509-Y543 AromaticContact CE2-CE2 3.94Å; Y509-Y543 HydrophobicContact CE2-CE2 3.94Å; Y509-Y543 AromaticContact CE2-CZ 3.82Å; Y509-Y543 WeakPolarHBondContact CE2-OH 3.3Å; Y509-Y543 AromaticContact CZ-CE2 3.88Å; Y509-Y543 WeakPolarHBondContact OH-CE2 3.41Å; Y509-Y543 PolarHBondContact OH-OH 3.41Å; Y509-I568 HydrophobicContact CD2-CG1 4.48Å; Y509-I568 HydrophobicContact CD2-CG2 3.68Å; Y509-I568 HydrophobicContact CE2-CG2 3.96Å; Y509-I568 HydrophobicContact CG-CG2 4.26Å; Y509-I572 HydrophobicContact CD1-CD1 4.11Å; Y509-I572 HydrophobicContact CD1-CG1 3.48Å; Y509-I572 VanDerWaalsContact CD1-CG1 3.48Å; Y509-I572 HydrophobicContact CE1-CD1 3.87Å; Y509-I572 HydrophobicContact CE1-CG1 3.64Å; Y509-I572 HydrophobicContact CE2-CD1 4.45Å; Y509-I572 HydrophobicContact CG-CG1 4.04Å
510G90.9Very high78.8Confident9 Ų942.3 Ų42.39%0.09324%0.235CC..Hα-helixtrans-57.4-50.1169.200000112.7T506 L508 A513 T514T506-G510 PolarHBondContact O-N 3.18Å; L508-G510 VanDerWaalsContact C-N 3.3Å; L508-G510 PolarHBondContact O-N 3.31Å; G510-A513 PolarHBondContact O-N 2.92Å; G510-T514 WeakPolarHBondContact O-CB 3.3Å; G510-T514 WeakPolarHBondContact O-CG2 3.31Å; G510-T514 PolarHBondContact O-N 3.19Å; G510-T514 VanDerWaalsContact O-N 3.13Å; G510-T514 PolarHBondContact O-OG1 3.03Å
511Y91.8Very high79.1Confident13 Ų1343.6 Ų43.65%0.05124%0.235CC..Hα-helixtrans-60.6-45.5175.1170.8-108.3000112.2I465 A468 R507 L508 A513 T514 D515 F516I465-Y511 HydrophobicContact CD1-CD1 4.31Å; I465-Y511 HydrophobicContact CD1-CG 4.28Å; I465-Y511 HydrophobicContact CG1-CD1 3.96Å; I465-Y511 HydrophobicContact CG1-CE1 4.08Å; I465-Y511 HydrophobicContact CG1-CG 4.36Å; I465-Y511 HydrophobicContact CG2-CD2 4.24Å; I465-Y511 HydrophobicContact CG2-CE1 4.24Å; I465-Y511 HydrophobicContact CG2-CE2 3.91Å; A468-Y511 HydrophobicContact CB-CE1 4.44Å; R507-Y511 WeakPolarHBondContact O-CB 3.42Å; R507-Y511 PolarHBondContact O-N 3.14Å; L508-Y511 PolarHBondContact O-N 2.89Å; Y511-A513 VanDerWaalsContact C-N 3.32Å; Y511-A513 PolarHBondContact O-N 3.46Å; Y511-T514 CarbonylContact O-C 3.59Å; Y511-T514 PolarHBondContact O-N 3.01Å; Y511-D515 HydrophobicContact CD2-CB 3.85Å; Y511-D515 HydrophobicContact CE2-CB 3.79Å; Y511-D515 PolarHBondContact O-N 3.39Å; Y511-F516 HydrophobicContact CD1-CB 4.07Å; Y511-F516 HydrophobicContact CE1-CB 3.76Å; Y511-F516 AromaticContact CE1-CD2 3.69Å; Y511-F516 HydrophobicContact CE1-CD2 3.69Å; Y511-F516 HydrophobicContact CE1-CG 4.06Å; Y511-F516 HydrophobicContact CE2-CB 4.25Å; Y511-F516 HydrophobicContact CG-CB 4.46Å; Y511-F516 AromaticContact CZ-CD2 3.92Å; Y511-F516 VanDerWaalsContact O-CB 3.28Å; Y511-F516 WeakPolarHBondContact O-CB 2.93Å; Y511-F516 PolarHBondContact O-N 3.11Å; Y511-F516 VanDerWaalsContact O-N 3.11Å
512L90.9Very high79.7Confident0 Ų042.9 Ų42.90%023%0.227CC..Iπ-helixtrans-59.1-41.9177-70.6-178.8000112.2F486 L490 L508 Y509 T514 F516 F517 L575F486-L512 HydrophobicContact CD2-CD2 4.16Å; F486-L512 HydrophobicContact CE2-CD2 4.02Å; L490-L512 HydrophobicContact CB-CD2 4.21Å; L490-L512 HydrophobicContact CD1-CD2 4.24Å; L508-L512 HydrophobicContact CD1-CD1 4.22Å; L508-L512 HydrophobicContact CD1-CG 4.21Å; L508-L512 HydrophobicContact CG-CD1 4.33Å; L508-L512 WeakPolarHBondContact O-CG 3.38Å; L508-L512 PolarHBondContact O-N 2.92Å; Y509-L512 HydrophobicContact CD1-CD1 4.23Å; Y509-L512 HydrophobicContact CE1-CD1 4.44Å; Y509-L512 PolarHBondContact O-N 3.37Å; L512-T514 VanDerWaalsContact C-N 3.32Å; L512-T514 PolarHBondContact O-N 3.44Å; L512-F516 HydrophobicContact CD2-CB 4.33Å; L512-F516 HydrophobicContact CD2-CD1 3.56Å; L512-F516 HydrophobicContact CD2-CD2 4.39Å; L512-F516 HydrophobicContact CD2-CE1 3.83Å; L512-F516 HydrophobicContact CD2-CG 3.85Å; L512-F516 HydrophobicContact CD2-CZ 4.35Å; L512-F517 WeakPolarHBondContact O-CB 3.49Å; L512-F517 PolarHBondContact O-N 3.46Å; L512-L575 HydrophobicContact CB-CD2 4.06Å
513A87.4Confident80.1Confident1 Ų135.6 Ų35.61%0.00820%0.195CC..Iπ-helixtrans-77.5-10.6179.400000114.5Y509 G510 Y511 Y571 T574 L575 K578Y509-A513 VanDerWaalsContact O-CB 3.3Å; Y509-A513 WeakPolarHBondContact O-CB 3.26Å; Y509-A513 PolarHBondContact O-N 3.26Å; G510-A513 PolarHBondContact O-N 2.92Å; Y511-A513 VanDerWaalsContact C-N 3.32Å; Y511-A513 PolarHBondContact O-N 3.46Å; A513-Y571 HydrophobicContact CB-CD1 4.27Å; A513-T574 HydrophobicContact CB-CG2 4.44Å; A513-L575 HydrophobicContact CB-CB 4.13Å; A513-K578 PolarHBondContact O-NZ 3.03Å
514T89Confident80.5Confident55 Ų5537.1 Ų37.134%0.33720%0.201SC..Iπ-helixtrans-122.7-100.2-174.756.60000112G510 Y511 L512 F516 F517 N518G510-T514 WeakPolarHBondContact O-CB 3.3Å; G510-T514 WeakPolarHBondContact O-CG2 3.31Å; G510-T514 PolarHBondContact O-N 3.19Å; G510-T514 VanDerWaalsContact O-N 3.13Å; G510-T514 PolarHBondContact O-OG1 3.03Å; Y511-T514 CarbonylContact O-C 3.59Å; Y511-T514 PolarHBondContact O-N 3.01Å; L512-T514 VanDerWaalsContact C-N 3.32Å; L512-T514 PolarHBondContact O-N 3.44Å; T514-F516 VanDerWaalsContact C-N 3.28Å; T514-F516 PolarHBondContact O-N 3.21Å; T514-F517 PolarHBondContact O-N 3.19Å; T514-N518 WeakPolarHBondContact O-CB 3.25Å; T514-N518 PolarHBondContact O-N 3.36Å; T514-N518 PolarHBondContact O-ND2 3.43Å
515D85.6Confident79.8Confident100 Ų10039.4 Ų39.454%0.53522%0.215SC..Iπ-helixtrans-57.4-41.1-171.2-58.7-34.3000112.4Y511 G519Y511-D515 HydrophobicContact CD2-CB 3.85Å; Y511-D515 HydrophobicContact CE2-CB 3.79Å; Y511-D515 PolarHBondContact O-N 3.39Å; D515-G519 PolarHBondContact O-N 3.42Å
516F87.7Confident78.7Confident0 Ų039.9 Ų39.90%022%0.217CC..Iπ-helixtrans-66.6-51.1179.8-173.6-98.9000111.6A468 M472 L482 F486 L490 Y511 L512 T514 N518 G519 A520 I522 F523A468-F516 HydrophobicContact CB-CD2 4.47Å; A468-F516 HydrophobicContact CB-CE2 4.28Å; M472-F516 HydrophobicContact SD-CD2 4.38Å; L482-F516 HydrophobicContact CD1-CE2 3.85Å; L482-F516 HydrophobicContact CD1-CZ 4.38Å; F486-F516 HydrophobicContact CB-CZ 4.17Å; F486-F516 HydrophobicContact CD2-CD1 4.45Å; F486-F516 AromaticContact CD2-CE1 3.34Å; F486-F516 HydrophobicContact CD2-CE1 3.34Å; F486-F516 AromaticContact CD2-CZ 3.5Å; F486-F516 HydrophobicContact CD2-CZ 3.5Å; F486-F516 HydrophobicContact CE2-CD1 4.44Å; F486-F516 AromaticContact CE2-CE1 3.59Å; F486-F516 HydrophobicContact CE2-CE1 3.59Å; F486-F516 HydrophobicContact CE2-CZ 4.24Å; F486-F516 HydrophobicContact CG-CE1 4.24Å; F486-F516 HydrophobicContact CG-CZ 4.13Å; L490-F516 HydrophobicContact CD1-CE2 4.03Å; L490-F516 HydrophobicContact CD1-CZ 4.28Å; Y511-F516 HydrophobicContact CD1-CB 4.07Å; Y511-F516 HydrophobicContact CE1-CB 3.76Å; Y511-F516 AromaticContact CE1-CD2 3.69Å; Y511-F516 HydrophobicContact CE1-CD2 3.69Å; Y511-F516 HydrophobicContact CE1-CG 4.06Å; Y511-F516 HydrophobicContact CE2-CB 4.25Å; Y511-F516 HydrophobicContact CG-CB 4.46Å; Y511-F516 AromaticContact CZ-CD2 3.92Å; Y511-F516 VanDerWaalsContact O-CB 3.28Å; Y511-F516 WeakPolarHBondContact O-CB 2.93Å; Y511-F516 PolarHBondContact O-N 3.11Å; Y511-F516 VanDerWaalsContact O-N 3.11Å; L512-F516 HydrophobicContact CD2-CB 4.33Å; L512-F516 HydrophobicContact CD2-CD1 3.56Å; L512-F516 HydrophobicContact CD2-CD2 4.39Å; L512-F516 HydrophobicContact CD2-CE1 3.83Å; L512-F516 HydrophobicContact CD2-CG 3.85Å; L512-F516 HydrophobicContact CD2-CZ 4.35Å; T514-F516 VanDerWaalsContact C-N 3.28Å; T514-F516 PolarHBondContact O-N 3.21Å; F516-N518 VanDerWaalsContact C-N 3.31Å; F516-N518 PolarHBondContact O-N 2.97Å; F516-G519 PolarHBondContact O-N 3.16Å; F516-A520 HydrophobicContact CD2-CB 4.46Å; F516-A520 HydrophobicContact CE1-CB 4.5Å; F516-A520 HydrophobicContact CE2-CB 4.44Å; F516-A520 HydrophobicContact CZ-CB 4.46Å; F516-A520 WeakPolarHBondContact O-CA 3.37Å; F516-A520 WeakPolarHBondContact O-CB 3.28Å; F516-A520 PolarHBondContact O-N 3.11Å; F516-I522 HydrophobicContact CE1-CD1 3.5Å; F516-I522 VanDerWaalsContact CE1-CD1 3.5Å; F516-I522 HydrophobicContact CZ-CD1 3.45Å; F516-I522 VanDerWaalsContact CZ-CD1 3.45Å; F516-F523 AromaticContact CD1-CE2 3.95Å; F516-F523 HydrophobicContact CD1-CE2 3.95Å; F516-F523 HydrophobicContact CD1-CZ 4.2Å; F516-F523 AromaticContact CE1-CE2 3.9Å; F516-F523 HydrophobicContact CE1-CE2 3.9Å; F516-F523 AromaticContact CE1-CZ 3.97Å; F516-F523 HydrophobicContact CE1-CZ 3.97Å
517F83.7Confident77.8Confident33 Ų3343.7 Ų43.715%0.14523%0.228CC..Hα-helixtrans-60.6-40.8177.2-177-89.4000112.2L512 T514 F523 L575 K578 I579 K582L512-F517 WeakPolarHBondContact O-CB 3.49Å; L512-F517 PolarHBondContact O-N 3.46Å; T514-F517 PolarHBondContact O-N 3.19Å; F517-F523 HydrophobicContact CB-CE2 4.39Å; F517-F523 AromaticContact CD2-CD2 3.85Å; F517-F523 HydrophobicContact CD2-CD2 3.85Å; F517-F523 HydrophobicContact CD2-CE1 4.49Å; F517-F523 AromaticContact CD2-CE2 3.83Å; F517-F523 HydrophobicContact CD2-CE2 3.83Å; F517-F523 HydrophobicContact CD2-CG 4.21Å; F517-F523 HydrophobicContact CD2-CZ 4.16Å; F517-F523 HydrophobicContact CE2-CD1 4.49Å; F517-F523 HydrophobicContact CE2-CD2 4.26Å; F517-F523 HydrophobicContact CE2-CG 4.21Å; F517-F523 HydrophobicContact CG-CE2 4.49Å; F517-L575 HydrophobicContact CB-CD1 4.3Å; F517-L575 HydrophobicContact CD2-CD1 3.78Å; F517-L575 HydrophobicContact CG-CD1 4.36Å; F517-K578 HydrophobicContact CD1-CB 4.22Å; F517-K578 HydrophobicContact CD1-CD 3.9Å; F517-K578 HydrophobicContact CD2-CB 4.41Å; F517-K578 HydrophobicContact CE1-CB 3.79Å; F517-K578 HydrophobicContact CE1-CD 4.14Å; F517-K578 HydrophobicContact CE1-CG 4.38Å; F517-K578 HydrophobicContact CE2-CB 3.99Å; F517-K578 HydrophobicContact CG-CD 4.36Å; F517-K578 HydrophobicContact CZ-CB 3.67Å; F517-K578 WeakPolarHBondContact CZ-O 3.17Å; F517-I579 HydrophobicContact CD2-CG1 4.3Å; F517-I579 HydrophobicContact CE2-CG1 3.8Å; F517-K582 HydrophobicContact CZ-CB 4.46Å; F517-K582 HydrophobicContact CZ-CD 4.26Å
518N79.3Confident77.1Confident117 Ų11740.4 Ų40.463%0.62622%0.216SC*.Hα-helixtrans-70.9-35.4-177.5-67.2-13.2000112.7T514 F516T514-N518 WeakPolarHBondContact O-CB 3.25Å; T514-N518 PolarHBondContact O-N 3.36Å; T514-N518 PolarHBondContact O-ND2 3.43Å; F516-N518 VanDerWaalsContact C-N 3.31Å; F516-N518 PolarHBondContact O-N 2.97Å
519G70Confident76.2Confident41 Ų4142 Ų4242%0.42323%0.225SC..Hα-helixtrans-97.9-25.8-177.500000115.6M472 D515 F516 K521M472-G519 VanDerWaalsContact CE-C 3.46Å; M472-G519 VanDerWaalsContact CE-CA 3.48Å; D515-G519 PolarHBondContact O-N 3.42Å; F516-G519 PolarHBondContact O-N 3.16Å; G519-K521 PolarHBondContact O-N 3.26Å
520A65.7Low75.4Confident6 Ų645 Ų455%0.0524%0.244CC..  trans-87.9109.6-170.800000112.1M472 L482 F516 I522M472-A520 HydrophobicContact CE-CB 4.28Å; M472-A520 HydrophobicContact CG-CB 4.18Å; L482-A520 HydrophobicContact CD2-CB 4.26Å; F516-A520 HydrophobicContact CD2-CB 4.46Å; F516-A520 HydrophobicContact CE1-CB 4.5Å; F516-A520 HydrophobicContact CE2-CB 4.44Å; F516-A520 HydrophobicContact CZ-CB 4.46Å; F516-A520 WeakPolarHBondContact O-CA 3.37Å; F516-A520 WeakPolarHBondContact O-CB 3.28Å; F516-A520 PolarHBondContact O-N 3.11Å; A520-I522 HydrophobicContact CB-CD1 4.37Å; A520-I522 HydrophobicContact CB-CG1 3.95Å; A520-I522 PolarHBondContact O-N 3.46Å
521K69.6Low75.1Confident145 Ų14544.7 Ų44.763%0.6324%0.24SC*.G310 helixtrans-63.4-1.5173.2-63.9-173.6178.5-176.70114.5G519 F523 N524G519-K521 PolarHBondContact O-N 3.26Å; K521-F523 PolarHBondContact O-N 3.21Å; K521-N524 WeakPolarHBondContact O-CB 3.34Å; K521-N524 PolarHBondContact O-N 2.88Å
522I66.5Low74.8Confident0 Ų044 Ų440%024%0.237CC..G310 helixtrans-56.5-34.8178.365.5175.1000112.3L479 L482 F486 F516 A520 N524 S525 M526L479-I522 HydrophobicContact CD1-CG2 3.82Å; L482-I522 HydrophobicContact CB-CG2 4.21Å; L482-I522 HydrophobicContact CD2-CG2 3.6Å; L482-I522 HydrophobicContact CG-CG2 3.77Å; F486-I522 HydrophobicContact CB-CD1 4.25Å; F486-I522 HydrophobicContact CD1-CD1 4.34Å; F486-I522 HydrophobicContact CD2-CD1 4.29Å; F486-I522 HydrophobicContact CG-CD1 4.04Å; F516-I522 HydrophobicContact CE1-CD1 3.5Å; F516-I522 VanDerWaalsContact CE1-CD1 3.5Å; F516-I522 HydrophobicContact CZ-CD1 3.45Å; F516-I522 VanDerWaalsContact CZ-CD1 3.45Å; A520-I522 HydrophobicContact CB-CD1 4.37Å; A520-I522 HydrophobicContact CB-CG1 3.95Å; A520-I522 PolarHBondContact O-N 3.46Å; I522-N524 PolarHBondContact O-N 2.91Å; I522-N524 VanDerWaalsContact O-N 3.09Å; I522-S525 CarbonylContact O-C 3.49Å; I522-S525 WeakPolarHBondContact O-CA 3.43Å; I522-S525 PolarHBondContact O-N 3.16Å; I522-S525 PolarHBondContact O-OG 3.19Å; I522-M526 HydrophobicContact CB-CE 4.3Å; I522-M526 HydrophobicContact CB-CG 4.45Å; I522-M526 HydrophobicContact CB-SD 4.38Å; I522-M526 HydrophobicContact CD1-CE 3.57Å; I522-M526 HydrophobicContact CD1-SD 4.06Å; I522-M526 HydrophobicContact CG1-CE 3.76Å; I522-M526 HydrophobicContact CG1-SD 4.39Å; I522-M526 PolarHBondContact O-N 3.38Å
523F64.2Low74.4Confident10 Ų1046.5 Ų46.54%0.04425%0.249CC..G310 helixtrans-71.2-1.6-179.3-62.9-74.7000113.5F486 F516 F517 K521 M526 L575 I579 K582F486-F523 HydrophobicContact CE2-CZ 4.24Å; F486-F523 HydrophobicContact CZ-CE1 4.18Å; F486-F523 HydrophobicContact CZ-CZ 4.11Å; F516-F523 AromaticContact CD1-CE2 3.95Å; F516-F523 HydrophobicContact CD1-CE2 3.95Å; F516-F523 HydrophobicContact CD1-CZ 4.2Å; F516-F523 AromaticContact CE1-CE2 3.9Å; F516-F523 HydrophobicContact CE1-CE2 3.9Å; F516-F523 AromaticContact CE1-CZ 3.97Å; F516-F523 HydrophobicContact CE1-CZ 3.97Å; F517-F523 HydrophobicContact CB-CE2 4.39Å; F517-F523 AromaticContact CD2-CD2 3.85Å; F517-F523 HydrophobicContact CD2-CD2 3.85Å; F517-F523 HydrophobicContact CD2-CE1 4.49Å; F517-F523 AromaticContact CD2-CE2 3.83Å; F517-F523 HydrophobicContact CD2-CE2 3.83Å; F517-F523 HydrophobicContact CD2-CG 4.21Å; F517-F523 HydrophobicContact CD2-CZ 4.16Å; F517-F523 HydrophobicContact CE2-CD1 4.49Å; F517-F523 HydrophobicContact CE2-CD2 4.26Å; F517-F523 HydrophobicContact CE2-CG 4.21Å; F517-F523 HydrophobicContact CG-CE2 4.49Å; K521-F523 PolarHBondContact O-N 3.21Å; F523-M526 HydrophobicContact CD1-CE 3.6Å; F523-M526 HydrophobicContact CE1-CE 3.47Å; F523-M526 VanDerWaalsContact CE1-CE 3.47Å; F523-M526 HydrophobicContact CG-CE 4.34Å; F523-M526 HydrophobicContact CZ-CE 4.11Å; F523-L575 HydrophobicContact CZ-CD1 4.46Å; F523-I579 HydrophobicContact CD1-CD1 4.4Å; F523-I579 HydrophobicContact CD1-CG1 4.16Å; F523-I579 HydrophobicContact CE1-CD1 3.94Å; F523-I579 HydrophobicContact CE1-CG1 4.13Å; F523-K582 PolarHBondContact O-NZ 2.78Å
524N63.7Low74.3Confident107 Ų10748.9 Ų48.957%0.57226%0.26SS*.G310 helixtrans-90.1-8.8166.6-5932.3000112.2K521 I522 K582 E584K521-N524 WeakPolarHBondContact O-CB 3.34Å; K521-N524 PolarHBondContact O-N 2.88Å; I522-N524 PolarHBondContact O-N 2.91Å; I522-N524 VanDerWaalsContact O-N 3.09Å; N524-K582 PolarHBondContact OD1-NZ 3.43Å; N524-E584 WeakPolarHBondContact CA-OE1 3.34Å
525S56.8Low74.5Confident62 Ų6246.2 Ų46.243%0.43424%0.244SC..THydrogen-bonded Turntrans-127.2-20.1-171.468.20000114.1I522I522-S525 CarbonylContact O-C 3.49Å; I522-S525 WeakPolarHBondContact O-CA 3.43Å; I522-S525 PolarHBondContact O-N 3.16Å; I522-S525 PolarHBondContact O-OG 3.19Å
526M58.2Low74.7Confident13 Ų1342 Ų426%0.06422%0.221CC..SBendtrans-85.1144.9173.2-64.5-167.4-48.700110.8R483 F486 I522 F523 R528R483-M526 HydrophobicContact CG-SD 4.29Å; F486-M526 HydrophobicContact CD1-CE 3.68Å; F486-M526 HydrophobicContact CD1-SD 3.6Å; F486-M526 HydrophobicContact CE1-CE 3.41Å; F486-M526 VanDerWaalsContact CE1-CE 3.41Å; F486-M526 HydrophobicContact CE1-SD 3.86Å; F486-M526 HydrophobicContact CZ-CE 4.08Å; I522-M526 HydrophobicContact CB-CE 4.3Å; I522-M526 HydrophobicContact CB-CG 4.45Å; I522-M526 HydrophobicContact CB-SD 4.38Å; I522-M526 HydrophobicContact CD1-CE 3.57Å; I522-M526 HydrophobicContact CD1-SD 4.06Å; I522-M526 HydrophobicContact CG1-CE 3.76Å; I522-M526 HydrophobicContact CG1-SD 4.39Å; I522-M526 PolarHBondContact O-N 3.38Å; F523-M526 HydrophobicContact CD1-CE 3.6Å; F523-M526 HydrophobicContact CE1-CE 3.47Å; F523-M526 VanDerWaalsContact CE1-CE 3.47Å; F523-M526 HydrophobicContact CG-CE 4.34Å; F523-M526 HydrophobicContact CZ-CE 4.11Å; M526-R528 PolarHBondContact O-N 3.4Å; M526-R528 VanDerWaalsContact O-N 3.15Å
527R62.7Low74.6Confident111 Ų11143 Ų4342%0.41923%0.226SC..  trans-72.1105.7173.7-76.3179.9168.6-125.2-4.2109.5V529 T530 T531 N1347R527-V529 VanDerWaalsContact C-N 3.33Å; R527-V529 PolarHBondContact O-N 3.3Å; R527-T530 HydrophobicContact CB-CG2 4.22Å; R527-T530 PolarHBondContact O-N 3.38Å; R527-T530 PolarHBondContact O-OG1 3Å; R527-T531 PolarHBondContact O-N 3.18Å; R527-N1347 VanDerWaalsContact NH2-CG 3.31Å; R527-N1347 PolarHBondContact NH2-OD1 3.17Å
528R72.4Confident74.9Confident25 Ų2541.4 Ų41.49%0.09422%0.219CC..Hα-helixtrans-41.9-54.6178-66.6178.9-175-144.14.8112.7M526 T530 T531 V532 I579 I580 K582 E584 E592M526-R528 PolarHBondContact O-N 3.4Å; M526-R528 VanDerWaalsContact O-N 3.15Å; R528-T530 VanDerWaalsContact C-N 3.34Å; R528-T530 PolarHBondContact O-N 3.19Å; R528-T531 PolarHBondContact O-N 3.4Å; R528-T531 VanDerWaalsContact O-N 3.08Å; R528-V532 PolarHBondContact O-N 3.16Å; R528-I579 HydrophobicContact CB-CG2 3.92Å; R528-I579 HydrophobicContact CG-CG2 4.04Å; R528-I579 PolarHBondContact NH1-O 2.98Å; R528-I579 VanDerWaalsContact NH1-O 3.1Å; R528-I580 PolarHBondContact NH1-O 3.48Å; R528-K582 VanDerWaalsContact CZ-O 3.3Å; R528-K582 PolarHBondContact NH1-O 2.84Å; R528-K582 PolarHBondContact NH2-O 2.98Å; R528-E584 IonicContact CZ-OE2 2.66Å; R528-E584 IonicContact NE-OE2 3.55Å; R528-E584 PolarHBondContact NE-OE2 2.95Å; R528-E584 VanDerWaalsContact NH2-CB 3.3Å; R528-E584 VanDerWaalsContact NH2-CG 3.29Å; R528-E584 IonicContact NH2-OE2 3.74Å; R528-E584 PolarHBondContact NH2-OE2 3.23Å; R528-E592 HydrophobicContact CB-CG 4.38Å; R528-E592 WeakPolarHBondContact CB-OE1 3.45Å
529V73.3Confident75.5Confident33 Ų3335.9 Ų35.920%0.219%0.189CC..Hα-helixtrans-44.1-50.9173.5-170.30000113.6R527 T531 V532 M533 D591 E592R527-V529 VanDerWaalsContact C-N 3.33Å; R527-V529 PolarHBondContact O-N 3.3Å; V529-T531 PolarHBondContact O-N 2.78Å; V529-V532 PolarHBondContact O-N 2.71Å; V529-M533 HydrophobicContact CG1-CG 4.39Å; V529-M533 HydrophobicContact CG1-SD 3.98Å; V529-M533 WeakPolarHBondContact O-CB 3Å; V529-M533 WeakPolarHBondContact O-CG 3.37Å; V529-M533 PolarHBondContact O-N 3.24Å; V529-D591 HydrophobicContact CB-CB 4.42Å; V529-D591 HydrophobicContact CG1-CB 3.97Å; V529-D591 HydrophobicContact CG2-CB 3.51Å; V529-E592 HydrophobicContact CG2-CG 4.32Å; V529-E592 VanDerWaalsContact CG2-OE1 3.24Å; V529-E592 WeakPolarHBondContact CG2-OE1 3.5Å; V529-E592 PolarHBondContact N-OE1 3.14Å
530T74.5Confident76.3Confident64 Ų6435.7 Ų35.739%0.39318%0.177SC..Hα-helixtrans-65.6-37.5-177.1550000112.7R527 R528 Q534R527-T530 HydrophobicContact CB-CG2 4.22Å; R527-T530 PolarHBondContact O-N 3.38Å; R527-T530 PolarHBondContact O-OG1 3Å; R528-T530 VanDerWaalsContact C-N 3.34Å; R528-T530 PolarHBondContact O-N 3.19Å; T530-Q534 VanDerWaalsContact O-CG 3.28Å; T530-Q534 WeakPolarHBondContact O-CG 3.27Å; T530-Q534 PolarHBondContact O-N 2.87Å
531T83.2Confident77.1Confident2 Ų238.2 Ų38.21%0.01219%0.187CC..Hα-helixtrans-69.6-40.7175.1-50.60000111.1F486 L491 R527 R528 V529 Q534 L535 I579F486-T531 HydrophobicContact CE1-CG2 4.08Å; F486-T531 HydrophobicContact CZ-CG2 4.01Å; L491-T531 HydrophobicContact CD2-CG2 3.85Å; R527-T531 PolarHBondContact O-N 3.18Å; R528-T531 PolarHBondContact O-N 3.4Å; R528-T531 VanDerWaalsContact O-N 3.08Å; V529-T531 PolarHBondContact O-N 2.78Å; T531-Q534 PolarHBondContact O-N 2.82Å; T531-L535 HydrophobicContact CG2-CD1 4.21Å; T531-L535 VanDerWaalsContact O-CG 3.28Å; T531-L535 WeakPolarHBondContact O-CG 3.4Å; T531-L535 PolarHBondContact O-N 3.1Å; T531-I579 HydrophobicContact CG2-CD1 3.76Å
532V86Confident77.8Confident0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-62.5-45.2175.2170.50000111.3R528 V529 Q534 L535 L536 L576 I579 I580 E592R528-V532 PolarHBondContact O-N 3.16Å; V529-V532 PolarHBondContact O-N 2.71Å; V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.05Å; V532-L535 PolarHBondContact O-N 2.97Å; V532-L536 HydrophobicContact CG1-CD1 3.83Å; V532-L536 HydrophobicContact CG1-CG 4.34Å; V532-L536 WeakPolarHBondContact O-CG 2.71Å; V532-L536 PolarHBondContact O-N 2.76Å; V532-L576 HydrophobicContact CG1-CD1 4.02Å; V532-L576 HydrophobicContact CG1-CG 4.24Å; V532-L576 HydrophobicContact CG2-CG 4.42Å; V532-I579 HydrophobicContact CG2-CG2 4.01Å; V532-I580 HydrophobicContact CG2-CD1 4.39Å; V532-I580 HydrophobicContact CG2-CG1 4.11Å; V532-E592 HydrophobicContact CB-CB 4.3Å; V532-E592 HydrophobicContact CB-CG 4.07Å; V532-E592 HydrophobicContact CG1-CB 4.07Å; V532-E592 HydrophobicContact CG1-CG 4.4Å; V532-E592 HydrophobicContact CG2-CB 4.12Å; V532-E592 HydrophobicContact CG2-CG 3.68Å
533M83Confident78.9Confident51 Ų5131.7 Ų31.725%0.25116%0.159SC..Hα-helixtrans-59.3-41.8174.6-73.3175.4140.700112.4V529 H537 A595 C1204V529-M533 HydrophobicContact CG1-CG 4.39Å; V529-M533 HydrophobicContact CG1-SD 3.98Å; V529-M533 WeakPolarHBondContact O-CB 3Å; V529-M533 WeakPolarHBondContact O-CG 3.37Å; V529-M533 PolarHBondContact O-N 3.24Å; M533-H537 WeakPolarHBondContact O-CB 3.42Å; M533-H537 PolarHBondContact O-N 3.01Å; M533-A595 HydrophobicContact CG-CB 4.13Å; M533-C1204 HydrophobicContact CE-CB 3.79Å; M533-C1204 VanDerWaalsContact CE-SG 3.55Å; M533-C1204 HydrophobicContact SD-CB 4.38Å; M533-C1204 PolarHBondContact SD-SG 3.14Å
534Q85.9Confident80Confident51 Ų5131.4 Ų31.424%0.23816%0.157CC..Hα-helixtrans-65.5-39.3175.6-74.6170-9.500112.7L491 T530 T531 V532 A538 L1208L491-Q534 HydrophobicContact CD2-CB 4.15Å; L491-Q534 VanDerWaalsContact CD2-OE1 3.26Å; T530-Q534 VanDerWaalsContact O-CG 3.28Å; T530-Q534 WeakPolarHBondContact O-CG 3.27Å; T530-Q534 PolarHBondContact O-N 2.87Å; T531-Q534 PolarHBondContact O-N 2.82Å; V532-Q534 VanDerWaalsContact C-N 3.34Å; V532-Q534 PolarHBondContact O-N 3.05Å; Q534-A538 WeakPolarHBondContact O-CB 3.47Å; Q534-A538 PolarHBondContact O-N 3.16Å; Q534-L1208 HydrophobicContact CG-CD2 3.79Å
535L91.6Very high81.1Confident0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-66.6-44.6175.9-70.6167.3000111.6L491 T531 V532 A538 L539 I572 L575 L576 I579L491-L535 HydrophobicContact CD1-CD2 3.61Å; L491-L535 HydrophobicContact CD1-CG 4.32Å; T531-L535 HydrophobicContact CG2-CD1 4.21Å; T531-L535 VanDerWaalsContact O-CG 3.28Å; T531-L535 WeakPolarHBondContact O-CG 3.4Å; T531-L535 PolarHBondContact O-N 3.1Å; V532-L535 PolarHBondContact O-N 2.97Å; L535-A538 WeakPolarHBondContact O-CB 3.38Å; L535-A538 PolarHBondContact O-N 3.31Å; L535-A538 VanDerWaalsContact O-N 3.17Å; L535-L539 PolarHBondContact O-N 3.08Å; L535-I572 HydrophobicContact CB-CG2 4.08Å; L535-I572 HydrophobicContact CD2-CG1 4.47Å; L535-I572 HydrophobicContact CD2-CG2 3.99Å; L535-L575 HydrophobicContact CD1-CD2 4.23Å; L535-L575 HydrophobicContact CD1-CG 4.16Å; L535-L575 HydrophobicContact CD2-CD2 4.09Å; L535-L576 HydrophobicContact CB-CD1 4.43Å; L535-L576 HydrophobicContact CD1-CB 4.13Å; L535-I579 HydrophobicContact CD1-CD1 3.96Å
536L89.9Confident82.5Confident10 Ų1027.5 Ų27.55%0.05213%0.134CC..Hα-helixtrans-63.8-41.3175-70.1169.7000111.9V532 A538 L539 K540 L576 A595 I596 F599V532-L536 HydrophobicContact CG1-CD1 3.83Å; V532-L536 HydrophobicContact CG1-CG 4.34Å; V532-L536 WeakPolarHBondContact O-CG 2.71Å; V532-L536 PolarHBondContact O-N 2.76Å; L536-A538 VanDerWaalsContact C-N 3.29Å; L536-A538 PolarHBondContact O-N 3.47Å; L536-L539 HydrophobicContact CD2-CD1 4.45Å; L536-L539 PolarHBondContact O-N 3.24Å; L536-K540 WeakPolarHBondContact O-CB 3.48Å; L536-K540 PolarHBondContact O-N 2.73Å; L536-L576 HydrophobicContact CD2-CD1 3.8Å; L536-L576 HydrophobicContact CG-CD1 3.87Å; L536-A595 VanDerWaalsContact CD1-C 3.45Å; L536-A595 HydrophobicContact CD1-CB 3.73Å; L536-I596 HydrophobicContact CD1-CG1 4.1Å; L536-I596 HydrophobicContact CD2-CG1 4.32Å; L536-F599 HydrophobicContact CB-CD2 4.18Å; L536-F599 HydrophobicContact CD2-CB 4.19Å; L536-F599 HydrophobicContact CD2-CD2 4.07Å; L536-F599 HydrophobicContact CD2-CG 4.19Å; L536-F599 WeakPolarHBondContact O-CE2 3.13Å
537H87.2Confident83.4Confident21 Ų2131.8 Ų31.810%0.09716%0.158CC..Hα-helixtrans-62.9-35.2173.3-177.1105.5000111.6M533 K540 F541 N1205 L1208 R1212M533-H537 WeakPolarHBondContact O-CB 3.42Å; M533-H537 PolarHBondContact O-N 3.01Å; H537-K540 PolarHBondContact O-N 2.7Å; H537-F541 AromaticContact CD2-CD2 3.89Å; H537-F541 AromaticContact CE1-CD2 3.42Å; H537-F541 VanDerWaalsContact CE1-CD2 3.42Å; H537-F541 WeakPolarHBondContact CE1-CD2 3.45Å; H537-F541 AromaticContact CE1-CE2 3.72Å; H537-F541 AromaticContact CG-CD2 3.76Å; H537-F541 AromaticContact ND1-CD2 3.46Å; H537-F541 WeakPolarHBondContact ND1-CD2 3.18Å; H537-F541 AromaticContact ND1-CE2 3.62Å; H537-F541 AromaticContact NE2-CD2 3.72Å; H537-F541 PolarHBondContact O-N 3.35Å; H537-N1205 PolarHBondContact ND1-OD1 3.34Å; H537-L1208 HydrophobicContact CB-CD1 4.2Å; H537-R1212 PolarHBondContact CD2-NH2 2.71Å; H537-R1212 PolarHBondContact NE2-NH1 3.25Å; H537-R1212 PolarHBondContact NE2-NH2 3.3Å
538A89.3Confident84Confident0 Ų027.4 Ų27.40%014%0.144CC..Hα-helixtrans-66.4-40.917300000112.5P493 Q534 L535 L536 K540 Y542 Y543P493-A538 HydrophobicContact CB-CB 4.08Å; P493-A538 HydrophobicContact CG-CB 3.99Å; Q534-A538 WeakPolarHBondContact O-CB 3.47Å; Q534-A538 PolarHBondContact O-N 3.16Å; L535-A538 WeakPolarHBondContact O-CB 3.38Å; L535-A538 PolarHBondContact O-N 3.31Å; L535-A538 VanDerWaalsContact O-N 3.17Å; L536-A538 VanDerWaalsContact C-N 3.29Å; L536-A538 PolarHBondContact O-N 3.47Å; A538-K540 VanDerWaalsContact C-N 3.33Å; A538-Y542 WeakPolarHBondContact O-CB 3.35Å; A538-Y542 PolarHBondContact O-N 2.61Å; A538-Y542 VanDerWaalsContact O-N 3.11Å; A538-Y543 HydrophobicContact CB-CD2 4.15Å; A538-Y543 HydrophobicContact CB-CE2 4.24Å; A538-Y543 WeakPolarHBondContact O-CD2 3.26Å; A538-Y543 PolarHBondContact O-N 3.39Å
539L91Very high83.6Confident1 Ų133.9 Ų33.91%0.00518%0.179CC..Hα-helixtrans-63.4-38.3173.3-66.4175.2000112.3L535 L536 Y543 W544 R569 I572 L573 F599 V612L535-L539 PolarHBondContact O-N 3.08Å; L536-L539 HydrophobicContact CD2-CD1 4.45Å; L536-L539 PolarHBondContact O-N 3.24Å; L539-Y543 CarbonylContact O-C 3.54Å; L539-W544 PolarHBondContact O-N 3.25Å; L539-R569 HydrophobicContact CD2-CB 4.08Å; L539-R569 HydrophobicContact CD2-CG 3.74Å; L539-I572 HydrophobicContact CD1-CG2 3.98Å; L539-I572 HydrophobicContact CD2-CB 4.16Å; L539-I572 HydrophobicContact CD2-CD1 4.14Å; L539-I572 HydrophobicContact CD2-CG2 3.75Å; L539-I572 HydrophobicContact CG-CG2 3.76Å; L539-L573 HydrophobicContact CD1-CD2 3.78Å; L539-L573 HydrophobicContact CD1-CG 4.19Å; L539-F599 HydrophobicContact CB-CE2 3.73Å; L539-F599 HydrophobicContact CB-CZ 4.03Å; L539-V612 HydrophobicContact CD1-CG2 4.43Å
540K86.8Confident82.9Confident38 Ų3837.3 Ų37.317%0.16521%0.205CC..Hα-helixtrans-76.4-41.6-175.5-172.2165175.5171.20113.4L536 H537 A538 F599 T602 V603 E1201L536-K540 WeakPolarHBondContact O-CB 3.48Å; L536-K540 PolarHBondContact O-N 2.73Å; H537-K540 PolarHBondContact O-N 2.7Å; A538-K540 VanDerWaalsContact C-N 3.33Å; K540-F599 HydrophobicContact CB-CD2 4.13Å; K540-F599 HydrophobicContact CB-CE2 3.71Å; K540-F599 HydrophobicContact CG-CE2 4.5Å; K540-T602 VanDerWaalsContact NZ-CB 3.26Å; K540-T602 PolarHBondContact NZ-OG1 3.34Å; K540-V603 HydrophobicContact CD-CG2 4.17Å; K540-V603 HydrophobicContact CG-CG2 4.04Å; K540-E1201 IonicContact NZ-OE1 2.67Å; K540-E1201 PolarHBondContact NZ-OE1 3.31Å
541F82.7Confident81.8Confident58 Ų5837.9 Ų37.925%0.25421%0.208SC..Hα-helixtrans-115.44.9-168.8-63.8-71.9000115H537 W544H537-F541 AromaticContact CD2-CD2 3.89Å; H537-F541 AromaticContact CE1-CD2 3.42Å; H537-F541 VanDerWaalsContact CE1-CD2 3.42Å; H537-F541 WeakPolarHBondContact CE1-CD2 3.45Å; H537-F541 AromaticContact CE1-CE2 3.72Å; H537-F541 AromaticContact CG-CD2 3.76Å; H537-F541 AromaticContact ND1-CD2 3.46Å; H537-F541 WeakPolarHBondContact ND1-CD2 3.18Å; H537-F541 AromaticContact ND1-CE2 3.62Å; H537-F541 AromaticContact NE2-CD2 3.72Å; H537-F541 PolarHBondContact O-N 3.35Å; F541-W544 VanDerWaalsContact O-CZ3 3.29Å; F541-W544 WeakPolarHBondContact O-CZ3 3.47Å
542Y85.4Confident80.3Confident9 Ų938.8 Ų38.84%0.03521%0.214CC..THydrogen-bonded Turntrans-140.3-50.6177.3-62.9-92.5000112.4P493 D494 I497 A538 R559 R1212P493-Y542 HydrophobicContact CB-CD1 4.1Å; P493-Y542 HydrophobicContact CB-CD2 3.83Å; P493-Y542 HydrophobicContact CB-CE1 4.5Å; P493-Y542 HydrophobicContact CB-CE2 4.25Å; P493-Y542 HydrophobicContact CB-CG 3.75Å; P493-Y542 HydrophobicContact CG-CD2 3.73Å; P493-Y542 HydrophobicContact CG-CE2 3.76Å; P493-Y542 HydrophobicContact CG-CG 4.18Å; D494-Y542 HydrophobicContact CB-CE1 4.06Å; D494-Y542 VanDerWaalsContact OD1-CE1 3.31Å; D494-Y542 WeakPolarHBondContact OD1-CE1 3.21Å; D494-Y542 PolarHBondContact OD1-OH 3.24Å; I497-Y542 HydrophobicContact CB-CD1 4.13Å; I497-Y542 HydrophobicContact CG1-CD1 4.33Å; I497-Y542 HydrophobicContact CG2-CD1 3.96Å; I497-Y542 HydrophobicContact CG2-CE1 4.33Å; A538-Y542 WeakPolarHBondContact O-CB 3.35Å; A538-Y542 PolarHBondContact O-N 2.61Å; A538-Y542 VanDerWaalsContact O-N 3.11Å; Y542-R559 PolarHBondContact O-NH2 3.42Å; Y542-R1212 PolarHBondContact OH-NH1 3.12Å; Y542-R1212 VanDerWaalsContact OH-NH1 3.11Å
543Y88.5Confident78.6Confident0 Ų044.9 Ų44.90%026%0.255CS..  trans-10847.6-170.9-52.7-65.9000113.9P493 I497 V505 Y509 A538 L539 I568 R569 I572P493-Y543 HydrophobicContact CB-CE2 3.88Å; I497-Y543 HydrophobicContact CD1-CD1 3.85Å; I497-Y543 HydrophobicContact CD1-CE1 3.56Å; V505-Y543 HydrophobicContact CG1-CE1 4.29Å; Y509-Y543 AromaticContact CE2-CE2 3.94Å; Y509-Y543 HydrophobicContact CE2-CE2 3.94Å; Y509-Y543 AromaticContact CE2-CZ 3.82Å; Y509-Y543 WeakPolarHBondContact CE2-OH 3.3Å; Y509-Y543 AromaticContact CZ-CE2 3.88Å; Y509-Y543 WeakPolarHBondContact OH-CE2 3.41Å; Y509-Y543 PolarHBondContact OH-OH 3.41Å; A538-Y543 HydrophobicContact CB-CD2 4.15Å; A538-Y543 HydrophobicContact CB-CE2 4.24Å; A538-Y543 WeakPolarHBondContact O-CD2 3.26Å; A538-Y543 PolarHBondContact O-N 3.39Å; L539-Y543 CarbonylContact O-C 3.54Å; Y543-I568 HydrophobicContact CD1-CD1 4.44Å; Y543-I568 HydrophobicContact CD1-CG2 3.87Å; Y543-I568 HydrophobicContact CD2-CG2 4.09Å; Y543-I568 HydrophobicContact CE1-CD1 4.24Å; Y543-I568 HydrophobicContact CE1-CG2 4Å; Y543-I568 HydrophobicContact CE2-CG2 4.2Å; Y543-I568 HydrophobicContact CG-CG2 3.92Å; Y543-R569 WeakPolarHBondContact O-CD 3.35Å; Y543-R569 WeakPolarHBondContact O-CG 3.39Å; Y543-R569 PolarHBondContact O-NH1 2.86Å; Y543-I572 HydrophobicContact CD2-CD1 3.61Å; Y543-I572 HydrophobicContact CE2-CD1 3.96Å; Y543-I572 HydrophobicContact CG-CD1 4.4Å
544W87.5Confident77.1Confident3 Ų349 Ų491%0.01127%0.272CS..  trans-74.8147.2167.260.282.1000111.7L539 F541 T546 D547 P548 L555 R559 N608L539-W544 PolarHBondContact O-N 3.25Å; F541-W544 VanDerWaalsContact O-CZ3 3.29Å; F541-W544 WeakPolarHBondContact O-CZ3 3.47Å; W544-T546 VanDerWaalsContact CD1-O 3.23Å; W544-D547 PolarHBondContact NE1-OD1 2.8Å; W544-P548 HydrophobicContact CD2-CG 4.3Å; W544-P548 HydrophobicContact CE3-CG 4.36Å; W544-L555 HydrophobicContact CH2-CD1 3.68Å; W544-L555 HydrophobicContact CH2-CD2 3.74Å; W544-L555 HydrophobicContact CH2-CG 4.04Å; W544-L555 HydrophobicContact CZ2-CD1 3.51Å; W544-L555 HydrophobicContact CZ2-CD2 3.9Å; W544-L555 HydrophobicContact CZ2-CG 4.23Å; W544-R559 PolarHBondContact O-NH1 3.43Å; W544-R559 PolarHBondContact O-NH2 3.43Å; W544-N608 WeakPolarHBondContact CB-OD1 3.44Å
545V88Confident75.5Confident32 Ų3249.7 Ų49.719%0.19428%0.277CS..SBendtrans-75.9-55172.5-178.80000109.7V562 D607 N608V545-V562 HydrophobicContact CG1-CG1 4.15Å; V545-D607 HydrophobicContact CB-CB 3.97Å; V545-D607 HydrophobicContact CG1-CB 3.93Å; V545-N608 PolarHBondContact N-OD1 3.31Å
546T85.5Confident73.8Confident55 Ų5557.1 Ų57.134%0.33732%0.317SS..SBendtrans-109.6139.4-177.6-65.70000109.8W544 D607 N608W544-T546 VanDerWaalsContact CD1-O 3.23Å; T546-D607 PolarHBondContact OG1-OD2 3.1Å; T546-N608 PolarHBondContact N-OD1 3.35Å; T546-N608 VanDerWaalsContact N-OD1 3.12Å; T546-N608 PolarHBondContact O-ND2 2.64Å
547D77.1Confident72.6Confident104 Ų10458.7 Ų58.756%0.55634%0.335SS*.  trans-63.3129.8-171.3-75.5-32.5000112W544W544-D547 PolarHBondContact NE1-OD1 2.8Å
548P74.5Confident71.9Confident18 Ų1862 Ų6212%0.11736%0.359CS..  trans-74144.5-177.228.9-34.1000112.2W544 S550 V551 E605W544-P548 HydrophobicContact CD2-CG 4.3Å; W544-P548 HydrophobicContact CE3-CG 4.36Å; P548-S550 CarbonylContact O-C 3.54Å; P548-S550 PolarHBondContact O-N 3.45Å; P548-V551 WeakPolarHBondContact O-CG2 3.32Å; P548-V551 PolarHBondContact O-N 3.14Å; P548-E605 VanDerWaalsContact CA-OE1 3.26Å; P548-E605 WeakPolarHBondContact CA-OE1 3.41Å
549L65.5Low71.3Confident162 Ų16265.7 Ų65.785%0.84837%0.373SS*.SBendtrans-56.5-28.8-178.8-71.1171.2000113.7E605L549-E605 PolarHBondContact N-OE1 3.05Å
550S57.6Low70.9Confident104 Ų10466.1 Ų66.173%0.72738%0.376SS*.SBendtrans-109.378.5168.462.30000110.4P548 S552P548-S550 CarbonylContact O-C 3.54Å; P548-S550 PolarHBondContact O-N 3.45Å; S550-S552 PolarHBondContact O-N 3.13Å
551V52.4Low70.8Confident76 Ų7666.9 Ų66.946%0.46139%0.386SS..  trans-59.8122.4177.1-1710000110.2P548 L555P548-V551 WeakPolarHBondContact O-CG2 3.32Å; P548-V551 PolarHBondContact O-N 3.14Å; V551-L555 HydrophobicContact CG1-CD1 3.75Å
552S51Low70.9Confident21 Ų2168.3 Ų68.315%0.14740%0.399CS..  trans-74.9134.8172.456.60000111S550 F554S550-S552 PolarHBondContact O-N 3.13Å; S552-F554 PolarHBondContact O-N 3.47Å
553C49.7Very low70.9Confident128 Ų12875.8 Ų75.887%0.86543%0.434SS*.SBendtrans-68.227.4-169.1-45.40000117
554F51.8Low70.9Confident138 Ų13878 Ų7861%0.60545%0.445SS*.  trans-105.524.7-168.7-65.7-70.4000114.6S552S552-F554 PolarHBondContact O-N 3.47Å
555L53Low70.9Confident66 Ų6677.9 Ų77.935%0.34644%0.444SS..  trans-111.744.5-167.7-63.8168.7000114.9W544 V551 G557W544-L555 HydrophobicContact CH2-CD1 3.68Å; W544-L555 HydrophobicContact CH2-CD2 3.74Å; W544-L555 HydrophobicContact CH2-CG 4.04Å; W544-L555 HydrophobicContact CZ2-CD1 3.51Å; W544-L555 HydrophobicContact CZ2-CD2 3.9Å; W544-L555 HydrophobicContact CZ2-CG 4.23Å; V551-L555 HydrophobicContact CG1-CD1 3.75Å; L555-G557 PolarHBondContact O-N 3.49Å
556D56.2Low71Confident155 Ų15579.5 Ų79.583%0.82945%0.454SS*.  trans-81.886.2168.2-80.2-30.9000110.9N498N498-D556 PolarHBondContact ND2-O 3.24Å
557G65.2Low71.2Confident43 Ų4378.4 Ų78.444%0.44345%0.451SS..SBendtrans160.7173.3169.900000116.1L555 R559L555-G557 PolarHBondContact O-N 3.49Å; G557-R559 PolarHBondContact O-N 2.99Å
558P71Confident71.9Confident92 Ų9273.4 Ų73.460%0.59742%0.424SS*.PPolyproline II helixtrans-69.2124.9172.129.6-33.3000110.3
559R78Confident72.8Confident77 Ų7772.6 Ų72.629%0.29142%0.419SS..PPolyproline II helixtrans-88149.3179.5-165.6174.6-165.8-119.7-11.3111.1Y542 W544 G557 I565Y542-R559 PolarHBondContact O-NH2 3.42Å; W544-R559 PolarHBondContact O-NH1 3.43Å; W544-R559 PolarHBondContact O-NH2 3.43Å; G557-R559 PolarHBondContact O-N 2.99Å; R559-I565 HydrophobicContact CG-CD1 4.45Å
560P82.6Confident74.1Confident10 Ų1068.4 Ų68.47%0.06540%0.4CS..PPolyproline II helixtrans-60.2154.7170.7-21.934.5000111.6I497 Q564 I565I497-P560 HydrophobicContact CD1-CG 4.39Å; I497-P560 WeakPolarHBondContact O-CD 3.36Å; P560-Q564 HydrophobicContact CB-CB 4.03Å; P560-I565 HydrophobicContact CB-CG1 4.23Å; P560-I565 WeakPolarHBondContact O-CD1 3.42Å
561S84.5Confident75.9Confident54 Ų5467.7 Ų67.738%0.37838%0.382SS..PPolyproline II helixtrans-67.5160.3177.869.30000111.9E563 Q564 I565S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.81Å; S561-Q564 WeakPolarHBondContact O-CA 3.18Å; S561-Q564 WeakPolarHBondContact O-CB 3.39Å; S561-Q564 PolarHBondContact O-N 2.91Å; S561-Q564 VanDerWaalsContact OG-CD 3.32Å; S561-Q564 VanDerWaalsContact OG-CG 3.28Å; S561-Q564 WeakPolarHBondContact OG-CG 3.4Å; S561-Q564 PolarHBondContact OG-N 2.85Å; S561-Q564 PolarHBondContact OG-OE1 3.4Å; S561-I565 WeakPolarHBondContact O-CG1 3.46Å; S561-I565 PolarHBondContact O-N 2.83Å
562V84.5Confident77.9Confident87 Ų8764 Ų6453%0.52736%0.36SS..Hα-helixtrans-54.9-44.7179.4-1790000111.4V545 Q564 I565 T566V545-V562 HydrophobicContact CG1-CG1 4.15Å; V562-Q564 VanDerWaalsContact C-N 3.31Å; V562-Q564 PolarHBondContact O-N 3.28Å; V562-I565 WeakPolarHBondContact O-CB 3.1Å; V562-I565 PolarHBondContact O-N 3.35Å; V562-I565 VanDerWaalsContact O-N 3.17Å; V562-T566 PolarHBondContact O-N 3.46Å; V562-T566 PolarHBondContact O-OG1 3.09Å; V562-T566 VanDerWaalsContact O-OG1 3.1Å
563E85.5Confident79.9Confident166 Ų16663.4 Ų63.478%0.77636%0.355SS*.Hα-helixtrans-56.8-42175.4-61.9178.3175.900112.7S561 T566 A567S561-E563 VanDerWaalsContact C-N 3.29Å; S561-E563 PolarHBondContact O-N 2.81Å; E563-T566 PolarHBondContact O-N 2.8Å; E563-A567 PolarHBondContact O-N 3.39Å
564Q86.9Confident81.9Confident47 Ų4759.7 Ų59.722%0.2233%0.328CS..Hα-helixtrans-70-39.1178.1-68.4168.6-16.800111.5G501 P560 S561 V562 A567 I568G501-Q564 PolarHBondContact O-NE2 2.82Å; P560-Q564 HydrophobicContact CB-CB 4.03Å; S561-Q564 WeakPolarHBondContact O-CA 3.18Å; S561-Q564 WeakPolarHBondContact O-CB 3.39Å; S561-Q564 PolarHBondContact O-N 2.91Å; S561-Q564 VanDerWaalsContact OG-CD 3.32Å; S561-Q564 VanDerWaalsContact OG-CG 3.28Å; S561-Q564 WeakPolarHBondContact OG-CG 3.4Å; S561-Q564 PolarHBondContact OG-N 2.85Å; S561-Q564 PolarHBondContact OG-OE1 3.4Å; V562-Q564 VanDerWaalsContact C-N 3.31Å; V562-Q564 PolarHBondContact O-N 3.28Å; Q564-A567 PolarHBondContact O-N 3.28Å; Q564-I568 WeakPolarHBondContact O-CB 3.4Å; Q564-I568 WeakPolarHBondContact O-CD1 3.12Å; Q564-I568 WeakPolarHBondContact O-CG1 3.5Å; Q564-I568 PolarHBondContact O-N 3.31Å
565I89.1Confident83.8Confident1 Ų153.1 Ų53.11%0.00530%0.3CS..Hα-helixtrans-60.9-49173.8-67.8164.8000109.7R559 P560 S561 V562 A567 I568 R569R559-I565 HydrophobicContact CG-CD1 4.45Å; P560-I565 HydrophobicContact CB-CG1 4.23Å; P560-I565 WeakPolarHBondContact O-CD1 3.42Å; S561-I565 WeakPolarHBondContact O-CG1 3.46Å; S561-I565 PolarHBondContact O-N 2.83Å; V562-I565 WeakPolarHBondContact O-CB 3.1Å; V562-I565 PolarHBondContact O-N 3.35Å; V562-I565 VanDerWaalsContact O-N 3.17Å; I565-A567 VanDerWaalsContact C-N 3.29Å; I565-A567 PolarHBondContact O-N 2.99Å; I565-I568 PolarHBondContact O-N 3Å; I565-I568 VanDerWaalsContact O-N 3.14Å; I565-R569 HydrophobicContact CG2-CG 4.11Å; I565-R569 WeakPolarHBondContact O-CB 3.21Å; I565-R569 VanDerWaalsContact O-CG 3.27Å; I565-R569 WeakPolarHBondContact O-CG 3.26Å; I565-R569 PolarHBondContact O-N 2.79Å
566T89.7Confident85.5Confident65 Ų6550.1 Ų50.140%0.39928%0.284SS..Hα-helixtrans-58.2-40.3177.1-55.30000111.8V562 E563 T570V562-T566 PolarHBondContact O-N 3.46Å; V562-T566 PolarHBondContact O-OG1 3.09Å; V562-T566 VanDerWaalsContact O-OG1 3.1Å; E563-T566 PolarHBondContact O-N 2.8Å; T566-T570 WeakPolarHBondContact O-CB 3.42Å; T566-T570 PolarHBondContact O-N 3.41Å; T566-T570 PolarHBondContact O-OG1 3.12Å
567A89.9Confident87Confident32 Ų3243.3 Ų43.326%0.26425%0.247SC..Hα-helixtrans-65.3-45.217400000112.7T506 E563 Q564 I565 T570 Y571T506-A567 HydrophobicContact CG2-CB 3.84Å; E563-A567 PolarHBondContact O-N 3.39Å; Q564-A567 PolarHBondContact O-N 3.28Å; I565-A567 VanDerWaalsContact C-N 3.29Å; I565-A567 PolarHBondContact O-N 2.99Å; A567-T570 WeakPolarHBondContact O-CB 3.16Å; A567-T570 PolarHBondContact O-N 2.91Å; A567-Y571 WeakPolarHBondContact O-CD2 3.44Å; A567-Y571 PolarHBondContact O-N 2.9Å; A567-Y571 VanDerWaalsContact O-N 3.08Å
568I90.5Very high88Confident0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-60.9-47.5176.6-70.8159.5000110.8V505 Y509 Y543 Q564 I565 T570 Y571 I572V505-I568 HydrophobicContact CB-CD1 3.9Å; V505-I568 HydrophobicContact CG1-CD1 3.59Å; V505-I568 HydrophobicContact CG1-CG1 4.13Å; Y509-I568 HydrophobicContact CD2-CG1 4.48Å; Y509-I568 HydrophobicContact CD2-CG2 3.68Å; Y509-I568 HydrophobicContact CE2-CG2 3.96Å; Y509-I568 HydrophobicContact CG-CG2 4.26Å; Y543-I568 HydrophobicContact CD1-CD1 4.44Å; Y543-I568 HydrophobicContact CD1-CG2 3.87Å; Y543-I568 HydrophobicContact CD2-CG2 4.09Å; Y543-I568 HydrophobicContact CE1-CD1 4.24Å; Y543-I568 HydrophobicContact CE1-CG2 4Å; Y543-I568 HydrophobicContact CE2-CG2 4.2Å; Y543-I568 HydrophobicContact CG-CG2 3.92Å; Q564-I568 WeakPolarHBondContact O-CB 3.4Å; Q564-I568 WeakPolarHBondContact O-CD1 3.12Å; Q564-I568 WeakPolarHBondContact O-CG1 3.5Å; Q564-I568 PolarHBondContact O-N 3.31Å; I565-I568 PolarHBondContact O-N 3Å; I565-I568 VanDerWaalsContact O-N 3.14Å; I568-T570 VanDerWaalsContact C-N 3.33Å; I568-T570 PolarHBondContact O-N 3.36Å; I568-Y571 PolarHBondContact O-N 3.26Å; I568-I572 HydrophobicContact CG2-CD1 3.67Å; I568-I572 HydrophobicContact CG2-CG1 4.33Å; I568-I572 WeakPolarHBondContact O-CG1 3.5Å; I568-I572 PolarHBondContact O-N 3.4Å
569R93.9Very high88.6Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-58-44.5175.7-68.6-179.167.496-5.1111.4L539 Y543 I565 Y571 I572 L573 N608 D611L539-R569 HydrophobicContact CD2-CB 4.08Å; L539-R569 HydrophobicContact CD2-CG 3.74Å; Y543-R569 WeakPolarHBondContact O-CD 3.35Å; Y543-R569 WeakPolarHBondContact O-CG 3.39Å; Y543-R569 PolarHBondContact O-NH1 2.86Å; I565-R569 HydrophobicContact CG2-CG 4.11Å; I565-R569 WeakPolarHBondContact O-CB 3.21Å; I565-R569 VanDerWaalsContact O-CG 3.27Å; I565-R569 WeakPolarHBondContact O-CG 3.26Å; I565-R569 PolarHBondContact O-N 2.79Å; R569-Y571 VanDerWaalsContact C-N 3.33Å; R569-Y571 PolarHBondContact O-N 2.66Å; R569-I572 PolarHBondContact O-N 2.74Å; R569-L573 WeakPolarHBondContact O-CB 3.36Å; R569-L573 WeakPolarHBondContact O-CG 3.13Å; R569-L573 PolarHBondContact O-N 3.26Å; R569-N608 PolarHBondContact NH2-O 3.37Å; R569-D611 IonicContact CZ-OD1 3.83Å; R569-D611 IonicContact CZ-OD2 3.83Å; R569-D611 IonicContact NE-OD1 2.66Å; R569-D611 IonicContact NE-OD2 3.81Å; R569-D611 PolarHBondContact NE-OD2 3.17Å; R569-D611 IonicContact NH2-OD1 3.15Å; R569-D611 PolarHBondContact NH2-OD1 2.88Å; R569-D611 IonicContact NH2-OD2 2.86Å; R569-D611 PolarHBondContact NH2-OD2 3.37Å
570T94.1Very high88.6Confident74 Ų7436.6 Ų36.645%0.45420%0.199SC..Hα-helixtrans-56.3-44.4175.2-57.70000112T566 A567 I568 T574T566-T570 WeakPolarHBondContact O-CB 3.42Å; T566-T570 PolarHBondContact O-N 3.41Å; T566-T570 PolarHBondContact O-OG1 3.12Å; A567-T570 WeakPolarHBondContact O-CB 3.16Å; A567-T570 PolarHBondContact O-N 2.91Å; I568-T570 VanDerWaalsContact C-N 3.33Å; I568-T570 PolarHBondContact O-N 3.36Å; T570-T574 VanDerWaalsContact O-CB 3.31Å; T570-T574 WeakPolarHBondContact O-CB 3.04Å; T570-T574 PolarHBondContact O-N 2.83Å; T570-T574 PolarHBondContact O-OG1 3.23Å
571Y94.2Very high88.4Confident89 Ų8938.4 Ų38.435%0.34921%0.209SC..Hα-helixtrans-70.6-40.2176.5-69.7-58.1000113.3T506 A513 A567 I568 R569 T574 L575T506-Y571 HydrophobicContact CG2-CD2 4.27Å; T506-Y571 HydrophobicContact CG2-CE2 3.78Å; A513-Y571 HydrophobicContact CB-CD1 4.27Å; A567-Y571 WeakPolarHBondContact O-CD2 3.44Å; A567-Y571 PolarHBondContact O-N 2.9Å; A567-Y571 VanDerWaalsContact O-N 3.08Å; I568-Y571 PolarHBondContact O-N 3.26Å; R569-Y571 VanDerWaalsContact C-N 3.33Å; R569-Y571 PolarHBondContact O-N 2.66Å; Y571-T574 PolarHBondContact O-N 2.85Å; Y571-L575 WeakPolarHBondContact O-CB 3.47Å; Y571-L575 PolarHBondContact O-N 3.44Å
572I94.5Very high87.8Confident0 Ų038.1 Ų38.10%020%0.201CC..Hα-helixtrans-60-47.1175.1-73.6171.1000110.7Y509 L535 L539 Y543 I568 R569 L575 L576Y509-I572 HydrophobicContact CD1-CD1 4.11Å; Y509-I572 HydrophobicContact CD1-CG1 3.48Å; Y509-I572 VanDerWaalsContact CD1-CG1 3.48Å; Y509-I572 HydrophobicContact CE1-CD1 3.87Å; Y509-I572 HydrophobicContact CE1-CG1 3.64Å; Y509-I572 HydrophobicContact CE2-CD1 4.45Å; Y509-I572 HydrophobicContact CG-CG1 4.04Å; L535-I572 HydrophobicContact CB-CG2 4.08Å; L535-I572 HydrophobicContact CD2-CG1 4.47Å; L535-I572 HydrophobicContact CD2-CG2 3.99Å; L539-I572 HydrophobicContact CD1-CG2 3.98Å; L539-I572 HydrophobicContact CD2-CB 4.16Å; L539-I572 HydrophobicContact CD2-CD1 4.14Å; L539-I572 HydrophobicContact CD2-CG2 3.75Å; L539-I572 HydrophobicContact CG-CG2 3.76Å; Y543-I572 HydrophobicContact CD2-CD1 3.61Å; Y543-I572 HydrophobicContact CE2-CD1 3.96Å; Y543-I572 HydrophobicContact CG-CD1 4.4Å; I568-I572 HydrophobicContact CG2-CD1 3.67Å; I568-I572 HydrophobicContact CG2-CG1 4.33Å; I568-I572 WeakPolarHBondContact O-CG1 3.5Å; I568-I572 PolarHBondContact O-N 3.4Å; R569-I572 PolarHBondContact O-N 2.74Å; I572-L575 PolarHBondContact O-N 3.41Å; I572-L576 VanDerWaalsContact O-CB 3.29Å; I572-L576 WeakPolarHBondContact O-CB 3.08Å; I572-L576 PolarHBondContact O-N 3.21Å
573L94Very high86.5Confident7 Ų741.7 Ų41.74%0.03722%0.217CC..Hα-helixtrans-68-36.1178.3-71.2169.4000111.9L539 R569 L576 F577 D611 V612 T615L539-L573 HydrophobicContact CD1-CD2 3.78Å; L539-L573 HydrophobicContact CD1-CG 4.19Å; R569-L573 WeakPolarHBondContact O-CB 3.36Å; R569-L573 WeakPolarHBondContact O-CG 3.13Å; R569-L573 PolarHBondContact O-N 3.26Å; L573-L576 PolarHBondContact O-N 3.47Å; L573-F577 WeakPolarHBondContact O-CB 3.36Å; L573-F577 PolarHBondContact O-N 3.22Å; L573-D611 HydrophobicContact CD1-CB 3.71Å; L573-D611 VanDerWaalsContact CD1-CG 3.44Å; L573-D611 WeakPolarHBondContact CD1-OD2 3.44Å; L573-V612 HydrophobicContact CD2-CG2 4.3Å; L573-T615 HydrophobicContact CB-CG2 4.39Å; L573-T615 HydrophobicContact CD2-CG2 4.25Å
574T91.4Very high85.1Confident50 Ų5036.7 Ų36.731%0.30719%0.194SC..Hα-helixtrans-63.3-42.3171.8-61.90000112A513 T570 Y571 K578A513-T574 HydrophobicContact CB-CG2 4.44Å; T570-T574 VanDerWaalsContact O-CB 3.31Å; T570-T574 WeakPolarHBondContact O-CB 3.04Å; T570-T574 PolarHBondContact O-N 2.83Å; T570-T574 PolarHBondContact O-OG1 3.23Å; Y571-T574 PolarHBondContact O-N 2.85Å; T574-K578 HydrophobicContact CG2-CD 4.43Å; T574-K578 WeakPolarHBondContact O-CB 3.44Å; T574-K578 VanDerWaalsContact O-CG 3.31Å; T574-K578 WeakPolarHBondContact O-CG 3.34Å; T574-K578 PolarHBondContact O-N 3.48Å
575L90.5Very high83.4Confident1 Ų140.2 Ų40.21%0.00522%0.221CC..Hα-helixtrans-66.6-46.8176.4176.359.5000111.4L512 A513 F517 F523 L535 Y571 I572 F577 K578 I579L512-L575 HydrophobicContact CB-CD2 4.06Å; A513-L575 HydrophobicContact CB-CB 4.13Å; F517-L575 HydrophobicContact CB-CD1 4.3Å; F517-L575 HydrophobicContact CD2-CD1 3.78Å; F517-L575 HydrophobicContact CG-CD1 4.36Å; F523-L575 HydrophobicContact CZ-CD1 4.46Å; L535-L575 HydrophobicContact CD1-CD2 4.23Å; L535-L575 HydrophobicContact CD1-CG 4.16Å; L535-L575 HydrophobicContact CD2-CD2 4.09Å; Y571-L575 WeakPolarHBondContact O-CB 3.47Å; Y571-L575 PolarHBondContact O-N 3.44Å; I572-L575 PolarHBondContact O-N 3.41Å; L575-F577 VanDerWaalsContact C-N 3.33Å; L575-F577 PolarHBondContact O-N 3.23Å; L575-K578 PolarHBondContact O-N 3.37Å; L575-I579 HydrophobicContact CD1-CD1 3.88Å; L575-I579 HydrophobicContact CD1-CG1 4.18Å; L575-I579 HydrophobicContact CG-CD1 3.85Å; L575-I579 VanDerWaalsContact O-CG1 3.28Å; L575-I579 WeakPolarHBondContact O-CG1 3.18Å; L575-I579 PolarHBondContact O-N 2.96Å
576L90Very high81.5Confident2 Ų247.9 Ų47.91%0.0126%0.262CS..Hα-helixtrans-56.3-47.7175178.2152.8000110.9V532 L535 L536 I572 L573 K578 I579 I580 I596 T615V532-L576 HydrophobicContact CG1-CD1 4.02Å; V532-L576 HydrophobicContact CG1-CG 4.24Å; V532-L576 HydrophobicContact CG2-CG 4.42Å; L535-L576 HydrophobicContact CB-CD1 4.43Å; L535-L576 HydrophobicContact CD1-CB 4.13Å; L536-L576 HydrophobicContact CD2-CD1 3.8Å; L536-L576 HydrophobicContact CG-CD1 3.87Å; I572-L576 VanDerWaalsContact O-CB 3.29Å; I572-L576 WeakPolarHBondContact O-CB 3.08Å; I572-L576 PolarHBondContact O-N 3.21Å; L573-L576 PolarHBondContact O-N 3.47Å; L576-K578 PolarHBondContact O-N 3.38Å; L576-I579 PolarHBondContact O-N 3.09Å; L576-I580 HydrophobicContact CD2-CD1 3.66Å; L576-I580 HydrophobicContact CG-CD1 4.21Å; L576-I580 WeakPolarHBondContact O-CG1 3Å; L576-I580 PolarHBondContact O-N 3.29Å; L576-I580 VanDerWaalsContact O-N 3.11Å; L576-I596 HydrophobicContact CD2-CD1 3.87Å; L576-I596 HydrophobicContact CD2-CG1 4.35Å; L576-T615 HydrophobicContact CD2-CG2 4.41Å
577F87.6Confident79.8Confident13 Ų1346.6 Ų46.66%0.05726%0.258CS..Hα-helixtrans-56.7-50.9175.8-174.3-85.9000111.8L573 L575 I579 I580 V581 T615 R618 L619 E622L573-F577 WeakPolarHBondContact O-CB 3.36Å; L573-F577 PolarHBondContact O-N 3.22Å; L575-F577 VanDerWaalsContact C-N 3.33Å; L575-F577 PolarHBondContact O-N 3.23Å; F577-I579 VanDerWaalsContact C-N 3.35Å; F577-I579 PolarHBondContact O-N 3.06Å; F577-I580 PolarHBondContact O-N 3.27Å; F577-V581 HydrophobicContact CD1-CG2 4.11Å; F577-V581 HydrophobicContact CE1-CB 4.19Å; F577-V581 HydrophobicContact CE1-CG1 4.49Å; F577-V581 HydrophobicContact CE1-CG2 3.59Å; F577-V581 HydrophobicContact CE2-CG2 4.05Å; F577-V581 HydrophobicContact CZ-CG2 3.54Å; F577-V581 WeakPolarHBondContact O-CG2 3.17Å; F577-V581 PolarHBondContact O-N 2.9Å; F577-T615 HydrophobicContact CB-CG2 4.42Å; F577-T615 HydrophobicContact CD2-CG2 4.24Å; F577-R618 HydrophobicContact CD2-CG 4.46Å; F577-R618 HydrophobicContact CE2-CB 4.15Å; F577-R618 HydrophobicContact CE2-CG 3.65Å; F577-R618 HydrophobicContact CZ-CG 4.04Å; F577-L619 HydrophobicContact CD2-CD2 3.59Å; F577-L619 HydrophobicContact CD2-CG 3.74Å; F577-L619 HydrophobicContact CE2-CB 4.48Å; F577-L619 HydrophobicContact CE2-CD2 3.51Å; F577-L619 HydrophobicContact CE2-CG 3.74Å; F577-L619 HydrophobicContact CG-CD2 4.43Å; F577-L619 HydrophobicContact CZ-CD2 4.29Å; F577-E622 VanDerWaalsContact CZ-CD 3.43Å; F577-E622 HydrophobicContact CZ-CG 4.4Å; F577-E622 WeakPolarHBondContact CZ-OE1 3.41Å; F577-E622 WeakPolarHBondContact CZ-OE2 3.25Å
578K86.3Confident78.2Confident61 Ų6152.3 Ų52.327%0.26528%0.279SS..Hα-helixtrans-61.4-38.7178.7-76-179.4176.6-169.70113A513 F517 T574 L575 L576 I580 K582A513-K578 PolarHBondContact O-NZ 3.03Å; F517-K578 HydrophobicContact CD1-CB 4.22Å; F517-K578 HydrophobicContact CD1-CD 3.9Å; F517-K578 HydrophobicContact CD2-CB 4.41Å; F517-K578 HydrophobicContact CE1-CB 3.79Å; F517-K578 HydrophobicContact CE1-CD 4.14Å; F517-K578 HydrophobicContact CE1-CG 4.38Å; F517-K578 HydrophobicContact CE2-CB 3.99Å; F517-K578 HydrophobicContact CG-CD 4.36Å; F517-K578 HydrophobicContact CZ-CB 3.67Å; F517-K578 WeakPolarHBondContact CZ-O 3.17Å; T574-K578 HydrophobicContact CG2-CD 4.43Å; T574-K578 WeakPolarHBondContact O-CB 3.44Å; T574-K578 VanDerWaalsContact O-CG 3.31Å; T574-K578 WeakPolarHBondContact O-CG 3.34Å; T574-K578 PolarHBondContact O-N 3.48Å; L575-K578 PolarHBondContact O-N 3.37Å; L576-K578 PolarHBondContact O-N 3.38Å; K578-I580 VanDerWaalsContact C-N 3.35Å; K578-K582 WeakPolarHBondContact O-CB 3.35Å; K578-K582 PolarHBondContact O-N 2.85Å
579I82.4Confident76.8Confident3 Ų352.5 Ų52.52%0.01528%0.281CS..Hα-helixtrans-64-40.4176.9-70.8165.1000111.2F517 F523 R528 T531 V532 L535 L575 L576 F577F517-I579 HydrophobicContact CD2-CG1 4.3Å; F517-I579 HydrophobicContact CE2-CG1 3.8Å; F523-I579 HydrophobicContact CD1-CD1 4.4Å; F523-I579 HydrophobicContact CD1-CG1 4.16Å; F523-I579 HydrophobicContact CE1-CD1 3.94Å; F523-I579 HydrophobicContact CE1-CG1 4.13Å; R528-I579 HydrophobicContact CB-CG2 3.92Å; R528-I579 HydrophobicContact CG-CG2 4.04Å; R528-I579 PolarHBondContact NH1-O 2.98Å; R528-I579 VanDerWaalsContact NH1-O 3.1Å; T531-I579 HydrophobicContact CG2-CD1 3.76Å; V532-I579 HydrophobicContact CG2-CG2 4.01Å; L535-I579 HydrophobicContact CD1-CD1 3.96Å; L575-I579 HydrophobicContact CD1-CD1 3.88Å; L575-I579 HydrophobicContact CD1-CG1 4.18Å; L575-I579 HydrophobicContact CG-CD1 3.85Å; L575-I579 VanDerWaalsContact O-CG1 3.28Å; L575-I579 WeakPolarHBondContact O-CG1 3.18Å; L575-I579 PolarHBondContact O-N 2.96Å; L576-I579 PolarHBondContact O-N 3.09Å; F577-I579 VanDerWaalsContact C-N 3.35Å; F577-I579 PolarHBondContact O-N 3.06Å
580I79.3Confident75.5Confident7 Ų754 Ų544%0.03629%0.293CS..Hα-helixtrans-72.6-48.7-178.8-66.3172.9000111.2R528 V532 L576 F577 K578 K582 E592 V593 I596 L619R528-I580 PolarHBondContact NH1-O 3.48Å; V532-I580 HydrophobicContact CG2-CD1 4.39Å; V532-I580 HydrophobicContact CG2-CG1 4.11Å; L576-I580 HydrophobicContact CD2-CD1 3.66Å; L576-I580 HydrophobicContact CG-CD1 4.21Å; L576-I580 WeakPolarHBondContact O-CG1 3Å; L576-I580 PolarHBondContact O-N 3.29Å; L576-I580 VanDerWaalsContact O-N 3.11Å; F577-I580 PolarHBondContact O-N 3.27Å; K578-I580 VanDerWaalsContact C-N 3.35Å; I580-K582 VanDerWaalsContact C-N 3.32Å; I580-K582 PolarHBondContact O-N 3.36Å; I580-E592 HydrophobicContact CD1-CB 3.84Å; I580-E592 HydrophobicContact CG1-CB 3.74Å; I580-E592 HydrophobicContact CG1-CG 4Å; I580-V593 HydrophobicContact CG2-CG2 4.45Å; I580-I596 HydrophobicContact CD1-CD1 3.71Å; I580-L619 HydrophobicContact CB-CD2 4.21Å; I580-L619 HydrophobicContact CD1-CD1 4.03Å; I580-L619 HydrophobicContact CG2-CD2 3.83Å
581V77Confident74.5Confident47 Ų4753.6 Ų53.629%0.28529%0.288SS..Hα-helixtrans-75.1-17.3-173.8175.90000113.5F577 D583 L619F577-V581 HydrophobicContact CD1-CG2 4.11Å; F577-V581 HydrophobicContact CE1-CB 4.19Å; F577-V581 HydrophobicContact CE1-CG1 4.49Å; F577-V581 HydrophobicContact CE1-CG2 3.59Å; F577-V581 HydrophobicContact CE2-CG2 4.05Å; F577-V581 HydrophobicContact CZ-CG2 3.54Å; F577-V581 WeakPolarHBondContact O-CG2 3.17Å; F577-V581 PolarHBondContact O-N 2.9Å; V581-D583 PolarHBondContact O-N 2.95Å; V581-L619 HydrophobicContact CG2-CD2 3.67Å
582K73.1Confident73.8Confident49 Ų4949.7 Ų49.721%0.21327%0.273CS..  trans-52.6123.4-176.2-177.8-174.6173.9-155.70113.4F517 F523 N524 R528 K578 I580 E584F517-K582 HydrophobicContact CZ-CB 4.46Å; F517-K582 HydrophobicContact CZ-CD 4.26Å; F523-K582 PolarHBondContact O-NZ 2.78Å; N524-K582 PolarHBondContact OD1-NZ 3.43Å; R528-K582 VanDerWaalsContact CZ-O 3.3Å; R528-K582 PolarHBondContact NH1-O 2.84Å; R528-K582 PolarHBondContact NH2-O 2.98Å; K578-K582 WeakPolarHBondContact O-CB 3.35Å; K578-K582 PolarHBondContact O-N 2.85Å; I580-K582 VanDerWaalsContact C-N 3.32Å; I580-K582 PolarHBondContact O-N 3.36Å; K582-E584 IonicContact NZ-OE1 3.39Å; K582-E584 PolarHBondContact NZ-OE1 3.36Å; K582-E584 PolarHBondContact O-N 3.49Å
583D56.7Low72.9Confident162 Ų16249.7 Ų49.787%0.86627%0.273SS*.  trans-59.198.9174.9-65.6-48.9000112.4V581V581-D583 PolarHBondContact O-N 2.95Å
584E57Low72Confident61 Ų6149.8 Ų49.829%0.28527%0.273SS..  trans-128.7132.3155.1-71.2166.5171.800108.6N524 R528 K582 N586 A587N524-E584 WeakPolarHBondContact CA-OE1 3.34Å; R528-E584 IonicContact CZ-OE2 2.66Å; R528-E584 IonicContact NE-OE2 3.55Å; R528-E584 PolarHBondContact NE-OE2 2.95Å; R528-E584 VanDerWaalsContact NH2-CB 3.3Å; R528-E584 VanDerWaalsContact NH2-CG 3.29Å; R528-E584 IonicContact NH2-OE2 3.74Å; R528-E584 PolarHBondContact NH2-OE2 3.23Å; K582-E584 IonicContact NZ-OE1 3.39Å; K582-E584 PolarHBondContact NZ-OE1 3.36Å; K582-E584 PolarHBondContact O-N 3.49Å; E584-N586 PolarHBondContact O-N 2.93Å; E584-A587 HydrophobicContact CB-CB 4.32Å; E584-A587 WeakPolarHBondContact O-CB 2.96Å; E584-A587 PolarHBondContact O-N 2.87Å; E584-A587 VanDerWaalsContact O-N 3.16Å
585P49.7Very low71.4Confident121 Ų12147.9 Ų47.979%0.78626%0.262SS*.THydrogen-bonded Turntrans-59.4130.5172.826.2-33.2000109
586N50.5Low71.1Confident161 Ų16148 Ų4886%0.86126%0.263SS*.THydrogen-bonded Turntrans7611.9-176.8-44.1-26.8000116.7E584 Q588E584-N586 PolarHBondContact O-N 2.93Å; N586-Q588 PolarHBondContact O-N 3.13Å
587A53.1Low70.5Confident38 Ų3848.4 Ų48.431%0.31427%0.265SS..  trans-66.3106.4171.100000111.3E584 S589E584-A587 HydrophobicContact CB-CB 4.32Å; E584-A587 WeakPolarHBondContact O-CB 2.96Å; E584-A587 PolarHBondContact O-N 2.87Å; E584-A587 VanDerWaalsContact O-N 3.16Å; A587-S589 VanDerWaalsContact C-N 3.33Å; A587-S589 PolarHBondContact O-N 3.12Å
588Q55.9Low70Confident152 Ų15248.2 Ų48.271%0.7127%0.265SS*.  trans-75.880.2176.3-69.2-177.6-16.300110.5N586 A590N586-Q588 PolarHBondContact O-N 3.13Å; Q588-A590 PolarHBondContact O-N 3.34Å
589S61.4Low69.9Low5 Ų545.7 Ų45.74%0.03525%0.254CS..THydrogen-bonded Turntrans-66.211.4-178.8780000115.1A587 E592 V593 T626A587-S589 VanDerWaalsContact C-N 3.33Å; A587-S589 PolarHBondContact O-N 3.12Å; S589-E592 VanDerWaalsContact C-OE2 3.32Å; S589-E592 VanDerWaalsContact CA-OE2 3.23Å; S589-E592 WeakPolarHBondContact CA-OE2 3.27Å; S589-V593 WeakPolarHBondContact O-CG2 3.39Å; S589-T626 WeakPolarHBondContact OG-CB 3.28Å; S589-T626 PolarHBondContact OG-OG1 3.21Å
590A66.3Low69.7Low31 Ų3145.9 Ų45.926%0.25626%0.255SS..Hα-helixtrans-78-45.3-175.600000111Q588 E592 V593 E594 T630Q588-A590 PolarHBondContact O-N 3.34Å; A590-E592 PolarHBondContact O-N 3.12Å; A590-V593 PolarHBondContact O-N 2.84Å; A590-E594 WeakPolarHBondContact O-CB 3.37Å; A590-E594 PolarHBondContact O-N 2.85Å; A590-T630 VanDerWaalsContact O-CG2 3.31Å; A590-T630 WeakPolarHBondContact O-CG2 3.49Å
591D73.9Confident69.4Low65 Ų6548.7 Ų48.735%0.34827%0.272SS..Hα-helixtrans-64.3-40.7-176.9-685.3000112V529 V593 E594 A595V529-D591 HydrophobicContact CB-CB 4.42Å; V529-D591 HydrophobicContact CG1-CB 3.97Å; V529-D591 HydrophobicContact CG2-CB 3.51Å; D591-V593 VanDerWaalsContact C-N 3.25Å; D591-V593 PolarHBondContact O-N 3.26Å; D591-E594 PolarHBondContact O-N 3.12Å; D591-A595 PolarHBondContact O-N 3.21Å
592E78.7Confident69.3Low7 Ų748.6 Ų48.63%0.03327%0.272CS..Hα-helixtrans-60.1-38.9175.5-68.479.5-176.100111.6R528 V529 V532 I580 S589 A590 A595 I596R528-E592 HydrophobicContact CB-CG 4.38Å; R528-E592 WeakPolarHBondContact CB-OE1 3.45Å; V529-E592 HydrophobicContact CG2-CG 4.32Å; V529-E592 VanDerWaalsContact CG2-OE1 3.24Å; V529-E592 WeakPolarHBondContact CG2-OE1 3.5Å; V529-E592 PolarHBondContact N-OE1 3.14Å; V532-E592 HydrophobicContact CB-CB 4.3Å; V532-E592 HydrophobicContact CB-CG 4.07Å; V532-E592 HydrophobicContact CG1-CB 4.07Å; V532-E592 HydrophobicContact CG1-CG 4.4Å; V532-E592 HydrophobicContact CG2-CB 4.12Å; V532-E592 HydrophobicContact CG2-CG 3.68Å; I580-E592 HydrophobicContact CD1-CB 3.84Å; I580-E592 HydrophobicContact CG1-CB 3.74Å; I580-E592 HydrophobicContact CG1-CG 4Å; S589-E592 VanDerWaalsContact C-OE2 3.32Å; S589-E592 VanDerWaalsContact CA-OE2 3.23Å; S589-E592 WeakPolarHBondContact CA-OE2 3.27Å; A590-E592 PolarHBondContact O-N 3.12Å; E592-A595 WeakPolarHBondContact O-CB 3.22Å; E592-A595 PolarHBondContact O-N 2.93Å; E592-I596 WeakPolarHBondContact O-CG1 3.38Å; E592-I596 PolarHBondContact O-N 3.27Å; E592-I596 VanDerWaalsContact O-N 3.15Å
593V76.4Confident69.6Low0 Ų046.7 Ų46.70%026%0.264CS..Hα-helixtrans-79.8-34.9-176.1169.70000110.3I580 S589 A590 D591 A595 I596 L597 L616 L627 T630I580-V593 HydrophobicContact CG2-CG2 4.45Å; S589-V593 WeakPolarHBondContact O-CG2 3.39Å; A590-V593 PolarHBondContact O-N 2.84Å; D591-V593 VanDerWaalsContact C-N 3.25Å; D591-V593 PolarHBondContact O-N 3.26Å; V593-A595 PolarHBondContact O-N 2.7Å; V593-I596 HydrophobicContact CG2-CD1 4.49Å; V593-I596 PolarHBondContact O-N 2.85Å; V593-I596 VanDerWaalsContact O-N 3.14Å; V593-L597 HydrophobicContact CG1-CD1 4.02Å; V593-L597 HydrophobicContact CG1-CG 4.44Å; V593-L597 WeakPolarHBondContact O-CB 3.42Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.41Å; V593-L597 PolarHBondContact O-N 3.4Å; V593-L616 HydrophobicContact CG1-CD1 4.33Å; V593-L627 HydrophobicContact CB-CD2 3.76Å; V593-L627 HydrophobicContact CG1-CD2 3.41Å; V593-L627 VanDerWaalsContact CG1-CD2 3.41Å; V593-L627 HydrophobicContact CG2-CD2 3.1Å; V593-T630 HydrophobicContact CB-CG2 4.14Å; V593-T630 HydrophobicContact CG1-CG2 3.9Å
594E75.5Confident70.6Confident10 Ų1045.3 Ų45.35%0.04725%0.252CS..Hα-helixtrans-59.4-37.1171.4-166.5146.7-16700110.8A590 D591 N598 T630 K633 K634 C1197A590-E594 WeakPolarHBondContact O-CB 3.37Å; A590-E594 PolarHBondContact O-N 2.85Å; D591-E594 PolarHBondContact O-N 3.12Å; E594-N598 WeakPolarHBondContact O-CB 3.11Å; E594-N598 PolarHBondContact O-N 3.19Å; E594-N598 PolarHBondContact O-ND2 2.98Å; E594-T630 HydrophobicContact CB-CG2 3.72Å; E594-T630 HydrophobicContact CG-CG2 4.41Å; E594-K633 WeakPolarHBondContact OE1-CD 3.46Å; E594-K633 IonicContact OE1-NZ 3.46Å; E594-K633 PolarHBondContact OE1-NZ 3.35Å; E594-K633 IonicContact OE2-NZ 3.09Å; E594-K633 PolarHBondContact OE2-NZ 3.5Å; E594-K634 PolarHBondContact O-NZ 2.84Å; E594-C1197 WeakPolarHBondContact CG-SG 3.36Å; E594-C1197 PolarHBondContact OE1-SG 2.95Å
595A79.1Confident71.9Confident10 Ų1043.7 Ų43.78%0.08325%0.245CC..Hα-helixtrans-67.1-43.5170.500000113.6M533 L536 D591 E592 V593 L597 N598 F599M533-A595 HydrophobicContact CG-CB 4.13Å; L536-A595 VanDerWaalsContact CD1-C 3.45Å; L536-A595 HydrophobicContact CD1-CB 3.73Å; D591-A595 PolarHBondContact O-N 3.21Å; E592-A595 WeakPolarHBondContact O-CB 3.22Å; E592-A595 PolarHBondContact O-N 2.93Å; V593-A595 PolarHBondContact O-N 2.7Å; A595-L597 VanDerWaalsContact C-N 3.32Å; A595-L597 PolarHBondContact O-N 3.06Å; A595-N598 WeakPolarHBondContact O-CB 3.37Å; A595-N598 PolarHBondContact O-N 3.27Å; A595-N598 VanDerWaalsContact O-N 3.12Å; A595-F599 PolarHBondContact O-N 3.44Å
596I83.7Confident73.5Confident3 Ų340.1 Ų40.12%0.01522%0.219CC..Hα-helixtrans-61.3-43.8174.4-56.6164.8000110.3L536 L576 I580 E592 V593 N598 F599 L600 V612 L616 L619L536-I596 HydrophobicContact CD1-CG1 4.1Å; L536-I596 HydrophobicContact CD2-CG1 4.32Å; L576-I596 HydrophobicContact CD2-CD1 3.87Å; L576-I596 HydrophobicContact CD2-CG1 4.35Å; I580-I596 HydrophobicContact CD1-CD1 3.71Å; E592-I596 WeakPolarHBondContact O-CG1 3.38Å; E592-I596 PolarHBondContact O-N 3.27Å; E592-I596 VanDerWaalsContact O-N 3.15Å; V593-I596 HydrophobicContact CG2-CD1 4.49Å; V593-I596 PolarHBondContact O-N 2.85Å; V593-I596 VanDerWaalsContact O-N 3.14Å; I596-N598 PolarHBondContact O-N 3.43Å; I596-F599 WeakPolarHBondContact O-CB 3.42Å; I596-F599 PolarHBondContact O-N 3.46Å; I596-L600 PolarHBondContact O-N 3.26Å; I596-V612 HydrophobicContact CG2-CG1 3.74Å; I596-L616 HydrophobicContact CB-CD1 4.4Å; I596-L616 HydrophobicContact CD1-CD1 4.1Å; I596-L616 HydrophobicContact CG2-CB 4.46Å; I596-L616 HydrophobicContact CG2-CD1 4.09Å; I596-L616 HydrophobicContact CG2-CD2 4Å; I596-L616 HydrophobicContact CG2-CG 4.43Å; I596-L619 HydrophobicContact CD1-CD1 3.62Å
597L77.3Confident75.1Confident10 Ų1036.1 Ų36.15%0.05220%0.198CC..Hα-helixtrans-64.3-29.2176.8-72.1166.8000111.9V593 A595 T601 L616 T630 F631 K634V593-L597 HydrophobicContact CG1-CD1 4.02Å; V593-L597 HydrophobicContact CG1-CG 4.44Å; V593-L597 WeakPolarHBondContact O-CB 3.42Å; V593-L597 VanDerWaalsContact O-CG 3.31Å; V593-L597 WeakPolarHBondContact O-CG 3.41Å; V593-L597 PolarHBondContact O-N 3.4Å; A595-L597 VanDerWaalsContact C-N 3.32Å; A595-L597 PolarHBondContact O-N 3.06Å; L597-T601 PolarHBondContact O-N 3.22Å; L597-T601 PolarHBondContact O-OG1 2.84Å; L597-L616 HydrophobicContact CD2-CD2 3.91Å; L597-L616 HydrophobicContact CG-CD2 4.42Å; L597-T630 HydrophobicContact CD1-CG2 3.98Å; L597-T630 WeakPolarHBondContact CD1-O 3.43Å; L597-F631 HydrophobicContact CD1-CD2 4.09Å; L597-F631 HydrophobicContact CD1-CE2 4.45Å; L597-F631 HydrophobicContact CD1-CG 4.33Å; L597-F631 HydrophobicContact CD2-CD1 4Å; L597-F631 HydrophobicContact CD2-CD2 4.15Å; L597-F631 HydrophobicContact CD2-CE1 3.71Å; L597-F631 HydrophobicContact CD2-CE2 3.89Å; L597-F631 HydrophobicContact CD2-CG 4.22Å; L597-F631 HydrophobicContact CD2-CZ 3.66Å; L597-F631 HydrophobicContact CG-CE2 4.43Å; L597-K634 HydrophobicContact CB-CD 3.8Å
598N77Confident76.8Confident10 Ų1034.5 Ų34.55%0.05318%0.184CC..Hα-helixtrans-69.7-44.2174.6-89.6-23.2000110.7E594 A595 I596 L600 T601 T602 K634 C1197 E1201E594-N598 WeakPolarHBondContact O-CB 3.11Å; E594-N598 PolarHBondContact O-N 3.19Å; E594-N598 PolarHBondContact O-ND2 2.98Å; A595-N598 WeakPolarHBondContact O-CB 3.37Å; A595-N598 PolarHBondContact O-N 3.27Å; A595-N598 VanDerWaalsContact O-N 3.12Å; I596-N598 PolarHBondContact O-N 3.43Å; N598-L600 VanDerWaalsContact C-N 3.34Å; N598-L600 PolarHBondContact O-N 3.24Å; N598-T601 WeakPolarHBondContact CA-OG1 3.43Å; N598-T601 PolarHBondContact O-N 3.46Å; N598-T601 VanDerWaalsContact O-N 3.11Å; N598-T601 PolarHBondContact O-OG1 3.49Å; N598-T602 PolarHBondContact O-N 2.89Å; N598-T602 PolarHBondContact O-OG1 3.5Å; N598-K634 PolarHBondContact OD1-NZ 3.11Å; N598-C1197 PolarHBondContact ND2-O 3.38Å; N598-C1197 VanDerWaalsContact OD1-CB 3.25Å; N598-C1197 WeakPolarHBondContact OD1-CB 3.49Å; N598-C1197 PolarHBondContact OD1-O 3.32Å; N598-C1197 PolarHBondContact OD1-SG 3.42Å; N598-E1201 HydrophobicContact CB-CB 4.35Å; N598-E1201 HydrophobicContact CB-CG 4.26Å
599F83.2Confident78.3Confident7 Ų727.4 Ų27.43%0.03115%0.151CC..Hα-helixtrans-54.5-49.1172.2-178.5-75.1000111.4L536 L539 K540 A595 I596 T601 T602 V603 L609 V612L536-F599 HydrophobicContact CB-CD2 4.18Å; L536-F599 HydrophobicContact CD2-CB 4.19Å; L536-F599 HydrophobicContact CD2-CD2 4.07Å; L536-F599 HydrophobicContact CD2-CG 4.19Å; L536-F599 WeakPolarHBondContact O-CE2 3.13Å; L539-F599 HydrophobicContact CB-CE2 3.73Å; L539-F599 HydrophobicContact CB-CZ 4.03Å; K540-F599 HydrophobicContact CB-CD2 4.13Å; K540-F599 HydrophobicContact CB-CE2 3.71Å; K540-F599 HydrophobicContact CG-CE2 4.5Å; A595-F599 PolarHBondContact O-N 3.44Å; I596-F599 WeakPolarHBondContact O-CB 3.42Å; I596-F599 PolarHBondContact O-N 3.46Å; F599-T601 PolarHBondContact O-N 2.96Å; F599-T602 PolarHBondContact O-N 3.36Å; F599-T602 VanDerWaalsContact O-N 3.07Å; F599-T602 PolarHBondContact O-OG1 3.26Å; F599-V603 HydrophobicContact CD1-CB 4.48Å; F599-V603 HydrophobicContact CD1-CG2 4.13Å; F599-V603 HydrophobicContact CD2-CG2 4.34Å; F599-V603 HydrophobicContact CE1-CB 4.15Å; F599-V603 HydrophobicContact CE1-CG1 4.44Å; F599-V603 HydrophobicContact CE1-CG2 3.84Å; F599-V603 HydrophobicContact CE2-CG2 4.1Å; F599-V603 HydrophobicContact CG-CG2 4.36Å; F599-V603 HydrophobicContact CZ-CG2 3.83Å; F599-V603 PolarHBondContact O-N 2.94Å; F599-L609 HydrophobicContact CE1-CD2 4.38Å; F599-V612 HydrophobicContact CD1-CG1 4.09Å; F599-V612 HydrophobicContact CD1-CG2 4.29Å; F599-V612 HydrophobicContact CE1-CB 4.36Å; F599-V612 HydrophobicContact CE1-CG1 4.32Å; F599-V612 HydrophobicContact CE1-CG2 3.7Å; F599-V612 HydrophobicContact CZ-CG2 4.18Å
600L78.5Confident79.5Confident8 Ų829 Ų294%0.04216%0.158CC..Hα-helixtrans-62.5-23.7178.7-71.2-173.9000114.2I596 N598 L609 V612 L613 L616 L637I596-L600 PolarHBondContact O-N 3.26Å; N598-L600 VanDerWaalsContact C-N 3.34Å; N598-L600 PolarHBondContact O-N 3.24Å; L600-L609 HydrophobicContact CD2-CD2 3.74Å; L600-V612 HydrophobicContact CD2-CB 4.11Å; L600-V612 HydrophobicContact CD2-CG1 3.85Å; L600-V612 HydrophobicContact CG-CG1 4.36Å; L600-L613 HydrophobicContact CD1-CD2 4.1Å; L600-L613 HydrophobicContact CD1-CG 4.43Å; L600-L613 HydrophobicContact CD2-CG 4.05Å; L600-L616 HydrophobicContact CD1-CD2 3.37Å; L600-L637 HydrophobicContact CB-CD1 3.89Å; L600-L637 HydrophobicContact CD1-CD1 4.27Å; L600-L637 HydrophobicContact CD2-CD1 3.99Å; L600-L637 HydrophobicContact CG-CD1 4.27Å
601T73.8Confident80.7Confident66 Ų6628.8 Ų28.841%0.40515%0.153SC..Hα-helixtrans-90.9-6.3175.751.70000114.5L597 N598 F599 K634L597-T601 PolarHBondContact O-N 3.22Å; L597-T601 PolarHBondContact O-OG1 2.84Å; N598-T601 WeakPolarHBondContact CA-OG1 3.43Å; N598-T601 PolarHBondContact O-N 3.46Å; N598-T601 VanDerWaalsContact O-N 3.11Å; N598-T601 PolarHBondContact O-OG1 3.49Å; F599-T601 PolarHBondContact O-N 2.96Å; T601-K634 HydrophobicContact CG2-CD 4.33Å
602T75.2Confident81.5Confident44 Ų4425.8 Ų25.827%0.2714%0.137SC..Hα-helixtrans-129.1-0.6-172.557.10000115.2K540 N598 F599 E1201K540-T602 VanDerWaalsContact NZ-CB 3.26Å; K540-T602 PolarHBondContact NZ-OG1 3.34Å; N598-T602 PolarHBondContact O-N 2.89Å; N598-T602 PolarHBondContact O-OG1 3.5Å; F599-T602 PolarHBondContact O-N 3.36Å; F599-T602 VanDerWaalsContact O-N 3.07Å; F599-T602 PolarHBondContact O-OG1 3.26Å; T602-E1201 WeakPolarHBondContact CG2-OE2 3.27Å; T602-E1201 PolarHBondContact OG1-OE2 3.01Å
603V79.4Confident81.8Confident10 Ų1025.5 Ų25.56%0.06114%0.136CC..  trans-108.4140.2165.4174.90000107K540 F599 N608 L609K540-V603 HydrophobicContact CD-CG2 4.17Å; K540-V603 HydrophobicContact CG-CG2 4.04Å; F599-V603 HydrophobicContact CD1-CB 4.48Å; F599-V603 HydrophobicContact CD1-CG2 4.13Å; F599-V603 HydrophobicContact CD2-CG2 4.34Å; F599-V603 HydrophobicContact CE1-CB 4.15Å; F599-V603 HydrophobicContact CE1-CG1 4.44Å; F599-V603 HydrophobicContact CE1-CG2 3.84Å; F599-V603 HydrophobicContact CE2-CG2 4.1Å; F599-V603 HydrophobicContact CG-CG2 4.36Å; F599-V603 HydrophobicContact CZ-CG2 3.83Å; F599-V603 PolarHBondContact O-N 2.94Å; V603-N608 HydrophobicContact CG1-CB 3.59Å; V603-L609 HydrophobicContact CB-CD2 3.86Å; V603-L609 HydrophobicContact CG1-CD2 3.94Å; V603-L609 HydrophobicContact CG1-CG 4.2Å
604H77.1Confident82.2Confident132 Ų13229.9 Ų29.961%0.61116%0.156SC*.  trans-122-14.6-169-62.5-44.2000113.6
605E84.1Confident82.7Confident27 Ų2730.4 Ų30.413%0.12616%0.16CC..  trans-87.5121.8-177.4-54.571.5-160.300110P548 L549 D607 N608P548-E605 VanDerWaalsContact CA-OE1 3.26Å; P548-E605 WeakPolarHBondContact CA-OE1 3.41Å; L549-E605 PolarHBondContact N-OE1 3.05Å; E605-D607 PolarHBondContact O-N 2.73Å; E605-N608 HydrophobicContact CB-CB 4.44Å; E605-N608 WeakPolarHBondContact O-CB 3.38Å; E605-N608 PolarHBondContact O-N 2.97Å
606D83.1Confident83Confident46 Ų4630 Ų3025%0.24616%0.156CC..G310 helixtrans-57.9-43-167.7-70-52000113.9N608 L609 I610 G642 V645D606-N608 PolarHBondContact O-N 3.29Å; D606-N608 VanDerWaalsContact O-N 3.14Å; D606-L609 WeakPolarHBondContact O-CB 3.45Å; D606-L609 PolarHBondContact O-N 2.91Å; D606-I610 WeakPolarHBondContact O-CG1 3.31Å; D606-I610 PolarHBondContact O-N 2.89Å; D606-I610 VanDerWaalsContact O-N 3.12Å; D606-G642 WeakPolarHBondContact OD2-CA 3.45Å; D606-G642 PolarHBondContact OD2-N 2.91Å; D606-G642 VanDerWaalsContact OD2-N 3.14Å; D606-V645 HydrophobicContact CB-CG2 3.67Å; D606-V645 WeakPolarHBondContact OD1-CB 3.34Å; D606-V645 VanDerWaalsContact OD1-CG2 3.25Å; D606-V645 WeakPolarHBondContact OD1-CG2 3.16Å
607D85.3Confident82.7Confident78 Ų7830.5 Ų30.542%0.41716%0.159SC..G310 helixtrans-60.1-25.9178.3-58-50.8000113.2V545 T546 E605 L609V545-D607 HydrophobicContact CB-CB 3.97Å; V545-D607 HydrophobicContact CG1-CB 3.93Å; T546-D607 PolarHBondContact OG1-OD2 3.1Å; E605-D607 PolarHBondContact O-N 2.73Å; D607-L609 VanDerWaalsContact C-N 3.33Å
608N88.8Confident82.9Confident4 Ų435.8 Ų35.82%0.02118%0.178CC..G310 helixtrans-83-12177.8-63.4-25.6000112.9W544 V545 T546 R569 V603 E605 D606W544-N608 WeakPolarHBondContact CB-OD1 3.44Å; V545-N608 PolarHBondContact N-OD1 3.31Å; T546-N608 PolarHBondContact N-OD1 3.35Å; T546-N608 VanDerWaalsContact N-OD1 3.12Å; T546-N608 PolarHBondContact O-ND2 2.64Å; R569-N608 PolarHBondContact NH2-O 3.37Å; V603-N608 HydrophobicContact CG1-CB 3.59Å; E605-N608 HydrophobicContact CB-CB 4.44Å; E605-N608 WeakPolarHBondContact O-CB 3.38Å; E605-N608 PolarHBondContact O-N 2.97Å; D606-N608 PolarHBondContact O-N 3.29Å; D606-N608 VanDerWaalsContact O-N 3.14Å
609L86.6Confident83.1Confident2 Ų235.4 Ų35.41%0.0118%0.176CC..THydrogen-bonded Turntrans-104.9-31.7-176.1-64.7173000113.2F599 L600 V603 D606 D607 D611 V612 L613 L637 V645F599-L609 HydrophobicContact CE1-CD2 4.38Å; L600-L609 HydrophobicContact CD2-CD2 3.74Å; V603-L609 HydrophobicContact CB-CD2 3.86Å; V603-L609 HydrophobicContact CG1-CD2 3.94Å; V603-L609 HydrophobicContact CG1-CG 4.2Å; D606-L609 WeakPolarHBondContact O-CB 3.45Å; D606-L609 PolarHBondContact O-N 2.91Å; D607-L609 VanDerWaalsContact C-N 3.33Å; L609-D611 PolarHBondContact O-N 3.2Å; L609-V612 PolarHBondContact O-N 3.44Å; L609-L613 HydrophobicContact CB-CD1 4.14Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 PolarHBondContact O-N 3.45Å; L609-L637 HydrophobicContact CD1-CD2 4.21Å; L609-V645 HydrophobicContact CB-CG2 4.15Å; L609-V645 HydrophobicContact CD1-CG1 4.37Å
610I86.5Confident82.5Confident38 Ų3835 Ų3520%0.19518%0.175CC..Hα-helixtrans-54.4-50.2-170.5-75.4164.8000113.4D606 L613 Q614 M644 V645 L648D606-I610 WeakPolarHBondContact O-CG1 3.31Å; D606-I610 PolarHBondContact O-N 2.89Å; D606-I610 VanDerWaalsContact O-N 3.12Å; I610-L613 PolarHBondContact O-N 2.77Å; I610-Q614 VanDerWaalsContact O-CG 3.31Å; I610-Q614 WeakPolarHBondContact O-CG 3.4Å; I610-Q614 PolarHBondContact O-N 2.84Å; I610-M644 HydrophobicContact CD1-CB 4.27Å; I610-M644 HydrophobicContact CD1-CG 4.03Å; I610-M644 HydrophobicContact CG1-CG 4.19Å; I610-V645 HydrophobicContact CG1-CG2 3.77Å; I610-L648 HydrophobicContact CB-CD1 4.37Å; I610-L648 HydrophobicContact CG1-CD1 4.37Å; I610-L648 HydrophobicContact CG2-CD1 4.01Å
611D91.5Very high82Confident28 Ų2837.3 Ų37.315%0.1520%0.195CC..Hα-helixtrans-74.1-32.9-177.861.2-11.8000112.8R569 L573 L609 Q614 T615R569-D611 IonicContact CZ-OD1 3.83Å; R569-D611 IonicContact CZ-OD2 3.83Å; R569-D611 IonicContact NE-OD1 2.66Å; R569-D611 IonicContact NE-OD2 3.81Å; R569-D611 PolarHBondContact NE-OD2 3.17Å; R569-D611 IonicContact NH2-OD1 3.15Å; R569-D611 PolarHBondContact NH2-OD1 2.88Å; R569-D611 IonicContact NH2-OD2 2.86Å; R569-D611 PolarHBondContact NH2-OD2 3.37Å; L573-D611 HydrophobicContact CD1-CB 3.71Å; L573-D611 VanDerWaalsContact CD1-CG 3.44Å; L573-D611 WeakPolarHBondContact CD1-OD2 3.44Å; L609-D611 PolarHBondContact O-N 3.2Å; D611-Q614 PolarHBondContact O-N 2.7Å; D611-T615 WeakPolarHBondContact O-CB 3.39Å; D611-T615 PolarHBondContact O-N 2.99Å; D611-T615 PolarHBondContact O-OG1 3.38Å
612V91.6Very high81.8Confident1 Ų139 Ų391%0.00620%0.198CC..Hα-helixtrans-65.3-44.2172.1-171.90000110.6L539 L573 I596 F599 L600 L609 T615 L616L539-V612 HydrophobicContact CD1-CG2 4.43Å; L573-V612 HydrophobicContact CD2-CG2 4.3Å; I596-V612 HydrophobicContact CG2-CG1 3.74Å; F599-V612 HydrophobicContact CD1-CG1 4.09Å; F599-V612 HydrophobicContact CD1-CG2 4.29Å; F599-V612 HydrophobicContact CE1-CB 4.36Å; F599-V612 HydrophobicContact CE1-CG1 4.32Å; F599-V612 HydrophobicContact CE1-CG2 3.7Å; F599-V612 HydrophobicContact CZ-CG2 4.18Å; L600-V612 HydrophobicContact CD2-CB 4.11Å; L600-V612 HydrophobicContact CD2-CG1 3.85Å; L600-V612 HydrophobicContact CG-CG1 4.36Å; L609-V612 PolarHBondContact O-N 3.44Å; V612-T615 PolarHBondContact O-N 3.12Å; V612-L616 WeakPolarHBondContact O-CB 3.31Å; V612-L616 PolarHBondContact O-N 2.75Å
613L83.5Confident81.5Confident1 Ų139.5 Ų39.51%0.00520%0.199CC..Hα-helixtrans-60.4-46.8173.1-85.8159.8000111.9L600 L609 I610 T615 L616 I617 L637 V645 L648 L652L600-L613 HydrophobicContact CD1-CD2 4.1Å; L600-L613 HydrophobicContact CD1-CG 4.43Å; L600-L613 HydrophobicContact CD2-CG 4.05Å; L609-L613 HydrophobicContact CB-CD1 4.14Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 PolarHBondContact O-N 3.45Å; I610-L613 PolarHBondContact O-N 2.77Å; L613-T615 VanDerWaalsContact C-N 3.32Å; L613-T615 PolarHBondContact O-N 3.04Å; L613-L616 PolarHBondContact O-N 2.71Å; L613-I617 WeakPolarHBondContact O-CD1 3.41Å; L613-I617 VanDerWaalsContact O-CG1 3.25Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.88Å; L613-L637 HydrophobicContact CD1-CD1 4.12Å; L613-L637 HydrophobicContact CD2-CD1 4.11Å; L613-L637 HydrophobicContact CG-CD1 4.33Å; L613-V645 HydrophobicContact CD1-CB 4.33Å; L613-V645 HydrophobicContact CD1-CG1 3.82Å; L613-V645 HydrophobicContact CD1-CG2 4.23Å; L613-L648 HydrophobicContact CB-CB 4.16Å; L613-L648 HydrophobicContact CB-CD1 4.2Å; L613-L648 HydrophobicContact CD1-CB 4.27Å; L613-L652 HydrophobicContact CD2-CD2 3.8Å
614Q84.7Confident80.8Confident93 Ų9340.2 Ų40.244%0.43520%0.204SC..Hα-helixtrans-60-42.6175.5-73.6174.98.600111.9I610 D611 L616 I617 R618 L648I610-Q614 VanDerWaalsContact O-CG 3.31Å; I610-Q614 WeakPolarHBondContact O-CG 3.4Å; I610-Q614 PolarHBondContact O-N 2.84Å; D611-Q614 PolarHBondContact O-N 2.7Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 2.82Å; Q614-I617 PolarHBondContact O-N 2.79Å; Q614-R618 WeakPolarHBondContact O-CB 3.29Å; Q614-R618 PolarHBondContact O-N 3.18Å; Q614-L648 HydrophobicContact CG-CD1 4.11Å; Q614-L648 HydrophobicContact CG-CD2 3.96Å
615T86.7Confident80Confident21 Ų2137.2 Ų37.213%0.12920%0.202CC..Hα-helixtrans-62.9-39.4175.9-56.90000111.4L573 L576 F577 D611 V612 L613 R618 L619L573-T615 HydrophobicContact CB-CG2 4.39Å; L573-T615 HydrophobicContact CD2-CG2 4.25Å; L576-T615 HydrophobicContact CD2-CG2 4.41Å; F577-T615 HydrophobicContact CB-CG2 4.42Å; F577-T615 HydrophobicContact CD2-CG2 4.24Å; D611-T615 WeakPolarHBondContact O-CB 3.39Å; D611-T615 PolarHBondContact O-N 2.99Å; D611-T615 PolarHBondContact O-OG1 3.38Å; V612-T615 PolarHBondContact O-N 3.12Å; L613-T615 VanDerWaalsContact C-N 3.32Å; L613-T615 PolarHBondContact O-N 3.04Å; T615-R618 WeakPolarHBondContact O-CB 3.41Å; T615-R618 PolarHBondContact O-N 2.92Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 3.05Å
616L84.9Confident79Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-74.5-35.2179.6-167.659.3000113.1V593 I596 L597 L600 V612 L613 Q614 R618 L619 M620 F631 L652V593-L616 HydrophobicContact CG1-CD1 4.33Å; I596-L616 HydrophobicContact CB-CD1 4.4Å; I596-L616 HydrophobicContact CD1-CD1 4.1Å; I596-L616 HydrophobicContact CG2-CB 4.46Å; I596-L616 HydrophobicContact CG2-CD1 4.09Å; I596-L616 HydrophobicContact CG2-CD2 4Å; I596-L616 HydrophobicContact CG2-CG 4.43Å; L597-L616 HydrophobicContact CD2-CD2 3.91Å; L597-L616 HydrophobicContact CG-CD2 4.42Å; L600-L616 HydrophobicContact CD1-CD2 3.37Å; V612-L616 WeakPolarHBondContact O-CB 3.31Å; V612-L616 PolarHBondContact O-N 2.75Å; L613-L616 PolarHBondContact O-N 2.71Å; Q614-L616 VanDerWaalsContact C-N 3.32Å; Q614-L616 PolarHBondContact O-N 2.82Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-L619 HydrophobicContact CD1-CD1 4.17Å; L616-L619 PolarHBondContact O-N 3.41Å; L616-M620 WeakPolarHBondContact O-CB 3.35Å; L616-M620 PolarHBondContact O-N 3.07Å; L616-F631 HydrophobicContact CD1-CE2 3.82Å; L616-F631 HydrophobicContact CD1-CZ 4.26Å; L616-F631 HydrophobicContact CD2-CE1 4.41Å; L616-F631 HydrophobicContact CD2-CE2 3.72Å; L616-F631 HydrophobicContact CD2-CZ 3.34Å; L616-F631 HydrophobicContact CG-CE2 3.66Å; L616-F631 HydrophobicContact CG-CZ 3.59Å; L616-L652 HydrophobicContact CD2-CD2 4.25Å
617I77.2Confident78Confident14 Ų1436 Ų367%0.07220%0.198CC..Hα-helixtrans-61.4-43.2168.6-69161.1000110.1L613 Q614 M620 A621 L648 K651 L652 F655L613-I617 WeakPolarHBondContact O-CD1 3.41Å; L613-I617 VanDerWaalsContact O-CG1 3.25Å; L613-I617 WeakPolarHBondContact O-CG1 3.48Å; L613-I617 PolarHBondContact O-N 2.88Å; Q614-I617 PolarHBondContact O-N 2.79Å; I617-M620 PolarHBondContact O-N 3.08Å; I617-A621 PolarHBondContact O-N 3.2Å; I617-L648 HydrophobicContact CD1-CB 4.09Å; I617-L648 HydrophobicContact CD1-CD2 3.76Å; I617-K651 HydrophobicContact CD1-CD 4.48Å; I617-L652 HydrophobicContact CD1-CB 4.37Å; I617-L652 HydrophobicContact CG1-CB 3.81Å; I617-L652 HydrophobicContact CG1-CD1 3.85Å; I617-L652 HydrophobicContact CG1-CD2 4.45Å; I617-L652 HydrophobicContact CG1-CG 4.25Å; I617-F655 HydrophobicContact CG2-CD2 4.21Å; I617-F655 HydrophobicContact CG2-CE2 3.98Å
618R82.4Confident77Confident122 Ų12232.9 Ų32.946%0.4618%0.181SC..Hα-helixtrans-62.7-45.5176.1-173.6-172.7169.4-175.3-6.6111.7F577 Q614 T615 L616 M620 A621 E622F577-R618 HydrophobicContact CD2-CG 4.46Å; F577-R618 HydrophobicContact CE2-CB 4.15Å; F577-R618 HydrophobicContact CE2-CG 3.65Å; F577-R618 HydrophobicContact CZ-CG 4.04Å; Q614-R618 WeakPolarHBondContact O-CB 3.29Å; Q614-R618 PolarHBondContact O-N 3.18Å; T615-R618 WeakPolarHBondContact O-CB 3.41Å; T615-R618 PolarHBondContact O-N 2.92Å; L616-R618 VanDerWaalsContact C-N 3.32Å; R618-M620 VanDerWaalsContact C-N 3.33Å; R618-M620 PolarHBondContact O-N 2.73Å; R618-A621 PolarHBondContact O-N 3.21Å; R618-E622 IonicContact CZ-OE1 3.32Å; R618-E622 IonicContact NE-OE1 3.29Å; R618-E622 PolarHBondContact NE-OE1 2.73Å; R618-E622 IonicContact NH2-OE1 2.79Å; R618-E622 PolarHBondContact NH2-OE1 3.44Å; R618-E622 PolarHBondContact O-N 3.17Å
619L80.9Confident75.5Confident1 Ų135.3 Ų35.31%0.00520%0.197CC..Hα-helixtrans-55.5-50.2172.7-76.4169.7000110.1F577 I580 V581 I596 T615 L616 A621 E622 N623 L627F577-L619 HydrophobicContact CD2-CD2 3.59Å; F577-L619 HydrophobicContact CD2-CG 3.74Å; F577-L619 HydrophobicContact CE2-CB 4.48Å; F577-L619 HydrophobicContact CE2-CD2 3.51Å; F577-L619 HydrophobicContact CE2-CG 3.74Å; F577-L619 HydrophobicContact CG-CD2 4.43Å; F577-L619 HydrophobicContact CZ-CD2 4.29Å; I580-L619 HydrophobicContact CB-CD2 4.21Å; I580-L619 HydrophobicContact CD1-CD1 4.03Å; I580-L619 HydrophobicContact CG2-CD2 3.83Å; V581-L619 HydrophobicContact CG2-CD2 3.67Å; I596-L619 HydrophobicContact CD1-CD1 3.62Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 3.05Å; L616-L619 HydrophobicContact CD1-CD1 4.17Å; L616-L619 PolarHBondContact O-N 3.41Å; L619-A621 PolarHBondContact O-N 3.3Å; L619-E622 PolarHBondContact O-N 3.11Å; L619-E622 VanDerWaalsContact O-N 3.11Å; L619-N623 PolarHBondContact O-N 3.02Å; L619-L627 HydrophobicContact CB-CD1 3.7Å; L619-L627 WeakPolarHBondContact O-CD1 3.45Å
620M71.9Confident74.3Confident0 Ų035.4 Ų35.40%020%0.198CC..Hα-helixtrans-62.9-28.9-178.9-174.2165.4-80.400113.6L616 I617 R618 P624 L627 V628 F631 L652 F655 F656L616-M620 WeakPolarHBondContact O-CB 3.35Å; L616-M620 PolarHBondContact O-N 3.07Å; I617-M620 PolarHBondContact O-N 3.08Å; R618-M620 VanDerWaalsContact C-N 3.33Å; R618-M620 PolarHBondContact O-N 2.73Å; M620-P624 WeakPolarHBondContact O-CB 3.49Å; M620-L627 VanDerWaalsContact CA-CD1 3.44Å; M620-L627 HydrophobicContact CB-CD1 4.36Å; M620-L627 HydrophobicContact CE-CB 4.43Å; M620-L627 VanDerWaalsContact N-CD1 3.31Å; M620-V628 HydrophobicContact CE-CG2 4.49Å; M620-F631 HydrophobicContact CE-CB 4Å; M620-F631 HydrophobicContact CE-CD1 3.99Å; M620-F631 HydrophobicContact CE-CD2 3.2Å; M620-F631 HydrophobicContact CE-CE1 4.25Å; M620-F631 HydrophobicContact CE-CE2 3.49Å; M620-F631 VanDerWaalsContact CE-CE2 3.49Å; M620-F631 HydrophobicContact CE-CG 3.44Å; M620-F631 VanDerWaalsContact CE-CG 3.44Å; M620-F631 HydrophobicContact CE-CZ 4Å; M620-L652 HydrophobicContact CB-CD1 4.26Å; M620-L652 HydrophobicContact CE-CD1 4.32Å; M620-L652 HydrophobicContact SD-CD1 3.79Å; M620-F655 HydrophobicContact CG-CB 3.97Å; M620-F655 HydrophobicContact SD-CB 3.64Å; M620-F656 HydrophobicContact CE-CB 4.37Å; M620-F656 HydrophobicContact CE-CD2 4.5Å; M620-F656 HydrophobicContact SD-CB 4.13Å
621A67.6Low72.9Confident56 Ų5634.7 Ų34.746%0.46319%0.194SC..Hα-helixtrans-73.3-42.1172.500000112.7I617 R618 L619I617-A621 PolarHBondContact O-N 3.2Å; R618-A621 PolarHBondContact O-N 3.21Å; L619-A621 PolarHBondContact O-N 3.3Å
622E68.6Low71Confident101 Ų10133.5 Ų33.547%0.47219%0.187SC..Hα-helixtrans-82.7-36.4-175.9-70.6-173.5-14000113.8F577 R618 L619F577-E622 VanDerWaalsContact CZ-CD 3.43Å; F577-E622 HydrophobicContact CZ-CG 4.4Å; F577-E622 WeakPolarHBondContact CZ-OE1 3.41Å; F577-E622 WeakPolarHBondContact CZ-OE2 3.25Å; R618-E622 IonicContact CZ-OE1 3.32Å; R618-E622 IonicContact NE-OE1 3.29Å; R618-E622 PolarHBondContact NE-OE1 2.73Å; R618-E622 IonicContact NH2-OE1 2.79Å; R618-E622 PolarHBondContact NH2-OE1 3.44Å; R618-E622 PolarHBondContact O-N 3.17Å; L619-E622 PolarHBondContact O-N 3.11Å; L619-E622 VanDerWaalsContact O-N 3.11Å
623N69.9Low69Low54 Ų5435.8 Ų35.829%0.28920%0.197SC..  trans-134.560.4-178.8-164.5-1.5000114.2L619 A625 T626 L627L619-N623 PolarHBondContact O-N 3.02Å; N623-A625 VanDerWaalsContact C-N 3.25Å; N623-A625 PolarHBondContact O-N 3.43Å; N623-T626 PolarHBondContact ND2-OG1 3.33Å; N623-T626 PolarHBondContact O-OG1 3.22Å; N623-T626 PolarHBondContact OD1-OG1 3.01Å; N623-L627 HydrophobicContact CB-CD1 4.38Å; N623-L627 WeakPolarHBondContact O-CD1 3.35Å; N623-L627 WeakPolarHBondContact O-CG 3.5Å; N623-L627 PolarHBondContact O-N 3.15Å
624P63.4Low67.4Low25 Ų2537.2 Ų37.216%0.16220%0.203CC..Hα-helixtrans-63.3-26.9-174.824.5-34.7000114.5M620 T626 L627 V628M620-P624 WeakPolarHBondContact O-CB 3.49Å; P624-T626 VanDerWaalsContact C-N 3.33Å; P624-T626 PolarHBondContact O-N 3.43Å; P624-L627 PolarHBondContact O-N 2.74Å; P624-V628 HydrophobicContact CB-CG2 4.43Å; P624-V628 WeakPolarHBondContact O-CB 3.29Å; P624-V628 VanDerWaalsContact O-CG2 3.27Å; P624-V628 WeakPolarHBondContact O-CG2 3.42Å; P624-V628 PolarHBondContact O-N 2.77Å
625A61.6Low65.8Low69 Ų6939.5 Ų39.557%0.5721%0.212SC*.Hα-helixtrans-65.2-34.4-172.900000113N623 P629N623-A625 VanDerWaalsContact C-N 3.25Å; N623-A625 PolarHBondContact O-N 3.43Å; A625-P629 WeakPolarHBondContact O-CD 3.25Å
626T61.5Low64.2Low46 Ų4640.6 Ų40.628%0.28223%0.228SC..Hα-helixtrans-88.6-29.9175.5590000112.4S589 N623 P624 T630S589-T626 WeakPolarHBondContact OG-CB 3.28Å; S589-T626 PolarHBondContact OG-OG1 3.21Å; N623-T626 PolarHBondContact ND2-OG1 3.33Å; N623-T626 PolarHBondContact O-OG1 3.22Å; N623-T626 PolarHBondContact OD1-OG1 3.01Å; P624-T626 VanDerWaalsContact C-N 3.33Å; P624-T626 PolarHBondContact O-N 3.43Å; T626-T630 PolarHBondContact O-OG1 3.23Å
627L63.7Low62.8Low1 Ų142.5 Ų42.51%0.00524%0.238CC..Hα-helixtrans-83.7-36.4-170.5-65.8171.3000114.3V593 L619 M620 N623 P624 T630 F631V593-L627 HydrophobicContact CB-CD2 3.76Å; V593-L627 HydrophobicContact CG1-CD2 3.41Å; V593-L627 VanDerWaalsContact CG1-CD2 3.41Å; V593-L627 HydrophobicContact CG2-CD2 3.1Å; L619-L627 HydrophobicContact CB-CD1 3.7Å; L619-L627 WeakPolarHBondContact O-CD1 3.45Å; M620-L627 VanDerWaalsContact CA-CD1 3.44Å; M620-L627 HydrophobicContact CB-CD1 4.36Å; M620-L627 HydrophobicContact CE-CB 4.43Å; M620-L627 VanDerWaalsContact N-CD1 3.31Å; N623-L627 HydrophobicContact CB-CD1 4.38Å; N623-L627 WeakPolarHBondContact O-CD1 3.35Å; N623-L627 WeakPolarHBondContact O-CG 3.5Å; N623-L627 PolarHBondContact O-N 3.15Å; P624-L627 PolarHBondContact O-N 2.74Å; L627-T630 PolarHBondContact O-N 2.86Å; L627-F631 WeakPolarHBondContact O-CB 3.46Å; L627-F631 PolarHBondContact O-N 3.23Å
628V63.1Low61.8Low13 Ų1342.5 Ų42.58%0.07924%0.238CC..Hα-helixtrans-56.2-50.9178.21660000109.9M620 P624 T630 F631 D632 R659 F1186M620-V628 HydrophobicContact CE-CG2 4.49Å; P624-V628 HydrophobicContact CB-CG2 4.43Å; P624-V628 WeakPolarHBondContact O-CB 3.29Å; P624-V628 VanDerWaalsContact O-CG2 3.27Å; P624-V628 WeakPolarHBondContact O-CG2 3.42Å; P624-V628 PolarHBondContact O-N 2.77Å; V628-T630 PolarHBondContact O-N 2.84Å; V628-F631 PolarHBondContact O-N 3.27Å; V628-D632 PolarHBondContact O-N 2.74Å; V628-R659 HydrophobicContact CG1-CB 4.2Å; V628-R659 HydrophobicContact CG2-CB 4.11Å; V628-R659 HydrophobicContact CG2-CG 4.48Å; V628-F1186 VanDerWaalsContact C-CE2 3.48Å; V628-F1186 HydrophobicContact CB-CE2 4.39Å; V628-F1186 HydrophobicContact CG1-CD2 4.38Å; V628-F1186 HydrophobicContact CG1-CE2 3.33Å; V628-F1186 HydrophobicContact CG1-CZ 3.46Å; V628-F1186 VanDerWaalsContact CG1-CZ 3.46Å; V628-F1186 VanDerWaalsContact O-CE2 3.26Å; V628-F1186 WeakPolarHBondContact O-CE2 3.3Å
629P58.2Low60.5Low55 Ų5540.2 Ų40.236%0.35725%0.252SS..Hα-helixtrans-54.4-43.4174.1-28.635.7000114.7A625A625-P629 WeakPolarHBondContact O-CD 3.25Å
630T60.5Low59.7Low4 Ų440.9 Ų40.93%0.02526%0.258CS..Hα-helixtrans-71.8-34-179.1-45.60000112.6A590 V593 E594 L597 T626 L627 V628 D632 K633A590-T630 VanDerWaalsContact O-CG2 3.31Å; A590-T630 WeakPolarHBondContact O-CG2 3.49Å; V593-T630 HydrophobicContact CB-CG2 4.14Å; V593-T630 HydrophobicContact CG1-CG2 3.9Å; E594-T630 HydrophobicContact CB-CG2 3.72Å; E594-T630 HydrophobicContact CG-CG2 4.41Å; L597-T630 HydrophobicContact CD1-CG2 3.98Å; L597-T630 WeakPolarHBondContact CD1-O 3.43Å; T626-T630 PolarHBondContact O-OG1 3.23Å; L627-T630 PolarHBondContact O-N 2.86Å; V628-T630 PolarHBondContact O-N 2.84Å; T630-D632 VanDerWaalsContact C-N 3.33Å; T630-K633 VanDerWaalsContact O-CB 3.29Å; T630-K633 WeakPolarHBondContact O-CB 3.37Å
631F58.3Low59.3Low23 Ų2348 Ų4810%0.10130%0.296CS..Hα-helixtrans-65.4-38.2176.6-108.2-95.3000113.2L597 L616 M620 L627 V628 K633 K634 L652 F656L597-F631 HydrophobicContact CD1-CD2 4.09Å; L597-F631 HydrophobicContact CD1-CE2 4.45Å; L597-F631 HydrophobicContact CD1-CG 4.33Å; L597-F631 HydrophobicContact CD2-CD1 4Å; L597-F631 HydrophobicContact CD2-CD2 4.15Å; L597-F631 HydrophobicContact CD2-CE1 3.71Å; L597-F631 HydrophobicContact CD2-CE2 3.89Å; L597-F631 HydrophobicContact CD2-CG 4.22Å; L597-F631 HydrophobicContact CD2-CZ 3.66Å; L597-F631 HydrophobicContact CG-CE2 4.43Å; L616-F631 HydrophobicContact CD1-CE2 3.82Å; L616-F631 HydrophobicContact CD1-CZ 4.26Å; L616-F631 HydrophobicContact CD2-CE1 4.41Å; L616-F631 HydrophobicContact CD2-CE2 3.72Å; L616-F631 HydrophobicContact CD2-CZ 3.34Å; L616-F631 HydrophobicContact CG-CE2 3.66Å; L616-F631 HydrophobicContact CG-CZ 3.59Å; M620-F631 HydrophobicContact CE-CB 4Å; M620-F631 HydrophobicContact CE-CD1 3.99Å; M620-F631 HydrophobicContact CE-CD2 3.2Å; M620-F631 HydrophobicContact CE-CE1 4.25Å; M620-F631 HydrophobicContact CE-CE2 3.49Å; M620-F631 VanDerWaalsContact CE-CE2 3.49Å; M620-F631 HydrophobicContact CE-CG 3.44Å; M620-F631 VanDerWaalsContact CE-CG 3.44Å; M620-F631 HydrophobicContact CE-CZ 4Å; L627-F631 WeakPolarHBondContact O-CB 3.46Å; L627-F631 PolarHBondContact O-N 3.23Å; V628-F631 PolarHBondContact O-N 3.27Å; F631-K633 PolarHBondContact O-N 3.01Å; F631-K633 VanDerWaalsContact O-N 3.12Å; F631-K634 PolarHBondContact O-N 2.78Å; F631-L652 HydrophobicContact CE1-CD1 3.93Å; F631-L652 HydrophobicContact CE1-CD2 3.63Å; F631-L652 HydrophobicContact CE1-CG 3.63Å; F631-L652 HydrophobicContact CE2-CD1 4.3Å; F631-L652 HydrophobicContact CZ-CD1 3.52Å; F631-L652 HydrophobicContact CZ-CD2 3.51Å; F631-L652 HydrophobicContact CZ-CG 3.67Å; F631-F656 HydrophobicContact CB-CD2 3.65Å; F631-F656 HydrophobicContact CB-CE2 3.74Å; F631-F656 HydrophobicContact CD1-CD2 4.47Å; F631-F656 HydrophobicContact CG-CD2 4.36Å
632D50.3Low59.3Low3 Ų346.1 Ų46.12%0.01628%0.282CS..Hα-helixtrans-61.3-26.5-175.2-165.541.7000112.2V628 T630 K634 F656 R664 F1186 C1190V628-D632 PolarHBondContact O-N 2.74Å; T630-D632 VanDerWaalsContact C-N 3.33Å; D632-K634 PolarHBondContact O-N 3.2Å; D632-K634 VanDerWaalsContact O-N 3.15Å; D632-F656 HydrophobicContact CB-CE2 3.95Å; D632-F656 HydrophobicContact CB-CZ 4.06Å; D632-F656 WeakPolarHBondContact OD1-CZ 3.32Å; D632-R664 VanDerWaalsContact CG-NH2 3.3Å; D632-R664 PolarHBondContact O-NH2 2.9Å; D632-R664 IonicContact OD1-CZ 3.49Å; D632-R664 IonicContact OD1-NE 3.81Å; D632-R664 PolarHBondContact OD1-NE 3.45Å; D632-R664 IonicContact OD1-NH2 2.7Å; D632-R664 PolarHBondContact OD1-NH2 3.39Å; D632-R664 IonicContact OD2-CZ 3.2Å; D632-R664 IonicContact OD2-NE 3.74Å; D632-R664 IonicContact OD2-NH2 2.86Å; D632-F1186 HydrophobicContact CB-CD1 4.19Å; D632-F1186 HydrophobicContact CB-CD2 4.01Å; D632-F1186 HydrophobicContact CB-CE1 3.68Å; D632-F1186 HydrophobicContact CB-CE2 3.43Å; D632-F1186 VanDerWaalsContact CB-CE2 3.43Å; D632-F1186 HydrophobicContact CB-CG 4.38Å; D632-F1186 HydrophobicContact CB-CZ 3.3Å; D632-F1186 WeakPolarHBondContact OD1-CE1 3.49Å; D632-F1186 WeakPolarHBondContact OD2-CD1 3.44Å; D632-F1186 WeakPolarHBondContact OD2-CE1 3.3Å; D632-F1186 WeakPolarHBondContact OD2-CG 3.23Å; D632-C1190 HydrophobicContact CB-CB 3.99Å; D632-C1190 WeakPolarHBondContact CB-SG 3.3Å; D632-C1190 VanDerWaalsContact CG-SG 3.56Å; D632-C1190 WeakPolarHBondContact O-CB 3.31Å; D632-C1190 WeakPolarHBondContact OD2-CB 3.31Å; D632-C1190 PolarHBondContact OD2-SG 3.02Å
633K50.6Low59.2Low50 Ų5045.8 Ų45.822%0.21728%0.28CS..THydrogen-bonded Turntrans-60.2-11.4172.1-60.3-176.9144-159.60115.2E594 T630 F631 A1193 V1194E594-K633 WeakPolarHBondContact OE1-CD 3.46Å; E594-K633 IonicContact OE1-NZ 3.46Å; E594-K633 PolarHBondContact OE1-NZ 3.35Å; E594-K633 IonicContact OE2-NZ 3.09Å; E594-K633 PolarHBondContact OE2-NZ 3.5Å; T630-K633 VanDerWaalsContact O-CB 3.29Å; T630-K633 WeakPolarHBondContact O-CB 3.37Å; F631-K633 PolarHBondContact O-N 3.01Å; F631-K633 VanDerWaalsContact O-N 3.12Å; K633-A1193 HydrophobicContact CB-CB 3.51Å; K633-A1193 HydrophobicContact CD-CB 3.46Å; K633-A1193 VanDerWaalsContact CD-CB 3.46Å; K633-A1193 VanDerWaalsContact CE-CB 3.44Å; K633-A1193 HydrophobicContact CG-CB 3.38Å; K633-V1194 WeakPolarHBondContact O-CG2 3.19Å; K633-V1194 PolarHBondContact O-N 3.46Å
634K50.6Low59.2Low30 Ų3047.7 Ų47.713%0.1329%0.288CS..SBendtrans-140.4153.2-174.2-58.3-164.1-142.1-169.20115.5E594 L597 N598 T601 F631 D632 C1197E594-K634 PolarHBondContact O-NZ 2.84Å; L597-K634 HydrophobicContact CB-CD 3.8Å; N598-K634 PolarHBondContact OD1-NZ 3.11Å; T601-K634 HydrophobicContact CG2-CD 4.33Å; F631-K634 PolarHBondContact O-N 2.78Å; D632-K634 PolarHBondContact O-N 3.2Å; D632-K634 VanDerWaalsContact O-N 3.15Å; K634-C1197 WeakPolarHBondContact CE-SG 3.42Å; K634-C1197 PolarHBondContact NZ-SG 2.89Å
635K51.1Low59.7Low141 Ų14146.5 Ų46.561%0.61328%0.281SS*.  trans-78.9138.9170.1-70.4-179.5168.8-170.50110.3H672K635-H672 WeakPolarHBondContact CD-NE2 3.28Å
636G52.7Low60.1Low45 Ų4545.6 Ų45.646%0.46426%0.263SS..  trans-85.2161-174.600000115.2I638G636-I638 PolarHBondContact O-N 3.39Å
637L54.8Low60.3Low40 Ų4045.6 Ų45.621%0.20926%0.261CS..G310 helixtrans-66.925.2176.6-81.4161.3000115L600 L609 L613 G639 A640 V645 A649L600-L637 HydrophobicContact CB-CD1 3.89Å; L600-L637 HydrophobicContact CD1-CD1 4.27Å; L600-L637 HydrophobicContact CD2-CD1 3.99Å; L600-L637 HydrophobicContact CG-CD1 4.27Å; L609-L637 HydrophobicContact CD1-CD2 4.21Å; L613-L637 HydrophobicContact CD1-CD1 4.12Å; L613-L637 HydrophobicContact CD2-CD1 4.11Å; L613-L637 HydrophobicContact CG-CD1 4.33Å; L637-G639 PolarHBondContact O-N 2.99Å; L637-A640 WeakPolarHBondContact O-CB 3.44Å; L637-A640 PolarHBondContact O-N 3.33Å; L637-V645 HydrophobicContact CB-CG1 4.44Å; L637-A649 HydrophobicContact CB-CB 3.79Å
638I55.7Low60.6Low14 Ų1446.3 Ų46.37%0.07226%0.264CS..G310 helixtrans-67-26.1-171.3-63158000111.7G636 R646 L653 H672 L677G636-I638 PolarHBondContact O-N 3.39Å; I638-R646 VanDerWaalsContact O-CG 3.23Å; I638-R646 WeakPolarHBondContact O-CG 3.15Å; I638-L653 HydrophobicContact CD1-CD1 4.09Å; I638-L653 HydrophobicContact CD1-CD2 3.69Å; I638-L653 HydrophobicContact CD1-CG 4.33Å; I638-L653 HydrophobicContact CG1-CD2 4.27Å; I638-H672 HydrophobicContact CD1-CB 4.28Å; I638-L677 HydrophobicContact CG2-CD1 3.29Å
639G55.9Low61Low73 Ų7346 Ų4675%0.75326%0.263SS*.G310 helixtrans-95.618.5176.900000115.4L637L637-G639 PolarHBondContact O-N 2.99Å
640A64.3Low61.4Low16 Ų1644.1 Ų44.113%0.13225%0.25CC..  trans-67.9140.8178.300000112.1L637 V645 R646L637-A640 WeakPolarHBondContact O-CB 3.44Å; L637-A640 PolarHBondContact O-N 3.33Å; A640-V645 HydrophobicContact CB-CB 4.18Å; A640-V645 HydrophobicContact CB-CG1 3.48Å; A640-V645 VanDerWaalsContact CB-CG1 3.48Å; A640-R646 PolarHBondContact O-NE 3.3Å; A640-R646 PolarHBondContact O-NH2 2.8Å
641D64.2Low61.7Low150 Ų15049 Ų4980%0.80227%0.271SS*.SBendtrans-64.5-42-179.3-68.5-45.9000111.6E643 R646D641-E643 PolarHBondContact O-N 3.14Å; D641-R646 PolarHBondContact O-NH2 2.87Å
642G66.6Low62.4Low16 Ų1648.3 Ų48.317%0.16527%0.268CS..SBendtrans-66.5123.1176.700000114.4D606 M644 V645 R646D606-G642 WeakPolarHBondContact OD2-CA 3.45Å; D606-G642 PolarHBondContact OD2-N 2.91Å; D606-G642 VanDerWaalsContact OD2-N 3.14Å; G642-M644 VanDerWaalsContact C-N 3.33Å; G642-M644 PolarHBondContact O-N 3.33Å; G642-V645 PolarHBondContact O-N 3.44Å; G642-R646 WeakPolarHBondContact O-CB 3.19Å; G642-R646 PolarHBondContact O-N 2.86Å
643E66.2Low63.3Low94 Ų9449.5 Ų49.544%0.43927%0.274SS..Hα-helixtrans-52.1-46.9178.6-173.1-174.6168.700112.6D641 R646 L647D641-E643 PolarHBondContact O-N 3.14Å; E643-R646 WeakPolarHBondContact O-CB 3.41Å; E643-R646 PolarHBondContact O-N 3.32Å; E643-L647 HydrophobicContact CG-CD1 4.1Å; E643-L647 HydrophobicContact CG-CG 4.48Å; E643-L647 WeakPolarHBondContact O-CG 3.2Å; E643-L647 PolarHBondContact O-N 2.84Å
644M70.6Confident63.9Low94 Ų9447.5 Ų47.546%0.46327%0.268SS..Hα-helixtrans-66.6-41.3-176.9-173.557.7164.200112.9I610 G642 R646 L647 L648I610-M644 HydrophobicContact CD1-CB 4.27Å; I610-M644 HydrophobicContact CD1-CG 4.03Å; I610-M644 HydrophobicContact CG1-CG 4.19Å; G642-M644 VanDerWaalsContact C-N 3.33Å; G642-M644 PolarHBondContact O-N 3.33Å; M644-R646 VanDerWaalsContact C-N 3.29Å; M644-R646 PolarHBondContact O-N 3.17Å; M644-L647 PolarHBondContact O-N 3.08Å; M644-L648 HydrophobicContact CE-CD1 4.45Å; M644-L648 HydrophobicContact CG-CD1 4.3Å; M644-L648 WeakPolarHBondContact O-CB 3.41Å; M644-L648 VanDerWaalsContact O-CG 3.29Å; M644-L648 WeakPolarHBondContact O-CG 3.29Å; M644-L648 PolarHBondContact O-N 3.37Å
645V73.7Confident64.6Low0 Ų049.7 Ų49.70%028%0.277CS..Hα-helixtrans-63.2-40.4173.61670000110D606 L609 I610 L613 L637 A640 G642 L648 A649D606-V645 HydrophobicContact CB-CG2 3.67Å; D606-V645 WeakPolarHBondContact OD1-CB 3.34Å; D606-V645 VanDerWaalsContact OD1-CG2 3.25Å; D606-V645 WeakPolarHBondContact OD1-CG2 3.16Å; L609-V645 HydrophobicContact CB-CG2 4.15Å; L609-V645 HydrophobicContact CD1-CG1 4.37Å; I610-V645 HydrophobicContact CG1-CG2 3.77Å; L613-V645 HydrophobicContact CD1-CB 4.33Å; L613-V645 HydrophobicContact CD1-CG1 3.82Å; L613-V645 HydrophobicContact CD1-CG2 4.23Å; L637-V645 HydrophobicContact CB-CG1 4.44Å; A640-V645 HydrophobicContact CB-CB 4.18Å; A640-V645 HydrophobicContact CB-CG1 3.48Å; A640-V645 VanDerWaalsContact CB-CG1 3.48Å; G642-V645 PolarHBondContact O-N 3.44Å; V645-L648 PolarHBondContact O-N 3.22Å; V645-A649 VanDerWaalsContact O-CB 3.24Å; V645-A649 WeakPolarHBondContact O-CB 3.44Å; V645-A649 PolarHBondContact O-N 3.22Å
646R69.8Low65.4Low50 Ų5043.7 Ų43.719%0.18925%0.252CS..Hα-helixtrans-63.4-44.7176.9-143.9-176.9-53.7167.95.8112.9I638 A640 D641 G642 E643 M644 A649 L650 L677I638-R646 VanDerWaalsContact O-CG 3.23Å; I638-R646 WeakPolarHBondContact O-CG 3.15Å; A640-R646 PolarHBondContact O-NE 3.3Å; A640-R646 PolarHBondContact O-NH2 2.8Å; D641-R646 PolarHBondContact O-NH2 2.87Å; G642-R646 WeakPolarHBondContact O-CB 3.19Å; G642-R646 PolarHBondContact O-N 2.86Å; E643-R646 WeakPolarHBondContact O-CB 3.41Å; E643-R646 PolarHBondContact O-N 3.32Å; M644-R646 VanDerWaalsContact C-N 3.29Å; M644-R646 PolarHBondContact O-N 3.17Å; R646-A649 PolarHBondContact O-N 3.06Å; R646-L650 VanDerWaalsContact O-CB 3.29Å; R646-L650 WeakPolarHBondContact O-CB 3.36Å; R646-L650 PolarHBondContact O-N 3.37Å; R646-L677 VanDerWaalsContact CD-CD2 3.43Å; R646-L677 HydrophobicContact CG-CD2 4.47Å
647L64.8Low66Low46 Ų4641.6 Ų41.624%0.24123%0.23CC..Hα-helixtrans-65-40.1176.3-71172.3000111.9E643 M644 L650 K651E643-L647 HydrophobicContact CG-CD1 4.1Å; E643-L647 HydrophobicContact CG-CG 4.48Å; E643-L647 WeakPolarHBondContact O-CG 3.2Å; E643-L647 PolarHBondContact O-N 2.84Å; M644-L647 PolarHBondContact O-N 3.08Å; L647-L650 PolarHBondContact O-N 2.85Å; L647-K651 WeakPolarHBondContact O-CB 3.43Å; L647-K651 PolarHBondContact O-N 2.94Å
648L71.3Confident66.4Low16 Ų1642.1 Ų42.18%0.08424%0.236CC..Hα-helixtrans-67.5-43.5174.3-70.1170.5000111.7I610 L613 Q614 I617 M644 V645 L650 K651 L652I610-L648 HydrophobicContact CB-CD1 4.37Å; I610-L648 HydrophobicContact CG1-CD1 4.37Å; I610-L648 HydrophobicContact CG2-CD1 4.01Å; L613-L648 HydrophobicContact CB-CB 4.16Å; L613-L648 HydrophobicContact CB-CD1 4.2Å; L613-L648 HydrophobicContact CD1-CB 4.27Å; Q614-L648 HydrophobicContact CG-CD1 4.11Å; Q614-L648 HydrophobicContact CG-CD2 3.96Å; I617-L648 HydrophobicContact CD1-CB 4.09Å; I617-L648 HydrophobicContact CD1-CD2 3.76Å; M644-L648 HydrophobicContact CE-CD1 4.45Å; M644-L648 HydrophobicContact CG-CD1 4.3Å; M644-L648 WeakPolarHBondContact O-CB 3.41Å; M644-L648 VanDerWaalsContact O-CG 3.29Å; M644-L648 WeakPolarHBondContact O-CG 3.29Å; M644-L648 PolarHBondContact O-N 3.37Å; V645-L648 PolarHBondContact O-N 3.22Å; L648-L650 VanDerWaalsContact C-N 3.29Å; L648-L650 PolarHBondContact O-N 3.14Å; L648-K651 PolarHBondContact O-N 3.01Å; L648-L652 VanDerWaalsContact O-CB 3.28Å; L648-L652 WeakPolarHBondContact O-CB 3.42Å; L648-L652 PolarHBondContact O-N 2.9Å
649A70.7Confident66.8Low6 Ų645.3 Ų45.35%0.0525%0.247CC..Hα-helixtrans-61.8-37.117400000111.8L637 V645 R646 L652 L653L637-A649 HydrophobicContact CB-CB 3.79Å; V645-A649 VanDerWaalsContact O-CB 3.24Å; V645-A649 WeakPolarHBondContact O-CB 3.44Å; V645-A649 PolarHBondContact O-N 3.22Å; R646-A649 PolarHBondContact O-N 3.06Å; A649-L652 PolarHBondContact O-N 3.44Å; A649-L653 VanDerWaalsContact O-CB 3.28Å; A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.11Å
650L67.1Low67.1Low16 Ų1642.3 Ų42.38%0.08421%0.214CC..Hα-helixtrans-68.1-43.2174.7-174.469.8000112R646 L647 L648 L652 L653 G654 L674 I690 W699R646-L650 VanDerWaalsContact O-CB 3.29Å; R646-L650 WeakPolarHBondContact O-CB 3.36Å; R646-L650 PolarHBondContact O-N 3.37Å; L647-L650 PolarHBondContact O-N 2.85Å; L648-L650 VanDerWaalsContact C-N 3.29Å; L648-L650 PolarHBondContact O-N 3.14Å; L650-L652 VanDerWaalsContact C-N 3.31Å; L650-L652 PolarHBondContact O-N 3.27Å; L650-L653 HydrophobicContact CD1-CD2 4.34Å; L650-L653 PolarHBondContact O-N 3.36Å; L650-G654 PolarHBondContact O-N 3.06Å; L650-L674 HydrophobicContact CD1-CD1 3.39Å; L650-I690 HydrophobicContact CD2-CD1 3.8Å; L650-I690 HydrophobicContact CD2-CG1 3.97Å; L650-W699 HydrophobicContact CD1-CH2 4.34Å
651K66Low67Low106 Ų10643.9 Ų43.946%0.46122%0.222SC..Hα-helixtrans-60.7-42.2174.6-176.5173-178.2175.10111.4I617 L647 L648 G654 F655I617-K651 HydrophobicContact CD1-CD 4.48Å; L647-K651 WeakPolarHBondContact O-CB 3.43Å; L647-K651 PolarHBondContact O-N 2.94Å; L648-K651 PolarHBondContact O-N 3.01Å; K651-G654 PolarHBondContact O-N 3.35Å; K651-F655 HydrophobicContact CG-CD2 4.34Å; K651-F655 HydrophobicContact CG-CE2 4.11Å; K651-F655 VanDerWaalsContact O-CD2 3.3Å; K651-F655 WeakPolarHBondContact O-CD2 3.33Å; K651-F655 PolarHBondContact O-N 3Å; K651-F655 VanDerWaalsContact O-N 3.09Å
652L73.1Confident66.8Low9 Ų937.7 Ų37.75%0.04719%0.192CC..Hα-helixtrans-65.9-45176.4-175.354.5000112L613 L616 I617 M620 F631 L648 A649 L650 G654 F655 F656L613-L652 HydrophobicContact CD2-CD2 3.8Å; L616-L652 HydrophobicContact CD2-CD2 4.25Å; I617-L652 HydrophobicContact CD1-CB 4.37Å; I617-L652 HydrophobicContact CG1-CB 3.81Å; I617-L652 HydrophobicContact CG1-CD1 3.85Å; I617-L652 HydrophobicContact CG1-CD2 4.45Å; I617-L652 HydrophobicContact CG1-CG 4.25Å; M620-L652 HydrophobicContact CB-CD1 4.26Å; M620-L652 HydrophobicContact CE-CD1 4.32Å; M620-L652 HydrophobicContact SD-CD1 3.79Å; F631-L652 HydrophobicContact CE1-CD1 3.93Å; F631-L652 HydrophobicContact CE1-CD2 3.63Å; F631-L652 HydrophobicContact CE1-CG 3.63Å; F631-L652 HydrophobicContact CE2-CD1 4.3Å; F631-L652 HydrophobicContact CZ-CD1 3.52Å; F631-L652 HydrophobicContact CZ-CD2 3.51Å; F631-L652 HydrophobicContact CZ-CG 3.67Å; L648-L652 VanDerWaalsContact O-CB 3.28Å; L648-L652 WeakPolarHBondContact O-CB 3.42Å; L648-L652 PolarHBondContact O-N 2.9Å; A649-L652 PolarHBondContact O-N 3.44Å; L650-L652 VanDerWaalsContact C-N 3.31Å; L650-L652 PolarHBondContact O-N 3.27Å; L652-G654 PolarHBondContact O-N 2.94Å; L652-F655 PolarHBondContact O-N 3.42Å; L652-F656 WeakPolarHBondContact O-CB 3.38Å; L652-F656 PolarHBondContact O-N 2.95Å
653L69.8Low66.6Low28 Ų2841.9 Ų41.915%0.14721%0.206CC..Hα-helixtrans-57.9-37.5170.2-179.770.5000111.2I638 A649 L650 F656 L657I638-L653 HydrophobicContact CD1-CD1 4.09Å; I638-L653 HydrophobicContact CD1-CD2 3.69Å; I638-L653 HydrophobicContact CD1-CG 4.33Å; I638-L653 HydrophobicContact CG1-CD2 4.27Å; A649-L653 VanDerWaalsContact O-CB 3.28Å; A649-L653 WeakPolarHBondContact O-CB 3.37Å; A649-L653 PolarHBondContact O-N 3.11Å; L650-L653 HydrophobicContact CD1-CD2 4.34Å; L650-L653 PolarHBondContact O-N 3.36Å; L653-F656 HydrophobicContact CD1-CD1 4.24Å; L653-F656 PolarHBondContact O-N 3.24Å; L653-L657 HydrophobicContact CD1-CD1 3.89Å; L653-L657 HydrophobicContact CD1-CD2 4.19Å; L653-L657 HydrophobicContact CD1-CG 3.74Å; L653-L657 HydrophobicContact CD2-CD1 4.05Å; L653-L657 HydrophobicContact CG-CD1 3.67Å; L653-L657 HydrophobicContact CG-CG 3.91Å; L653-L657 WeakPolarHBondContact O-CB 3.39Å; L653-L657 VanDerWaalsContact O-CG 3.31Å; L653-L657 WeakPolarHBondContact O-CG 3.46Å; L653-L657 PolarHBondContact O-N 3.34Å
654G64Low66.4Low8 Ų839.6 Ų39.68%0.08219%0.193CC..Hα-helixtrans-59.8-53175.400000112.3L650 K651 L652 F656 L657 C658L650-G654 PolarHBondContact O-N 3.06Å; K651-G654 PolarHBondContact O-N 3.35Å; L652-G654 PolarHBondContact O-N 2.94Å; G654-F656 VanDerWaalsContact C-N 3.28Å; G654-F656 PolarHBondContact O-N 3.41Å; G654-L657 PolarHBondContact O-N 3.23Å; G654-C658 PolarHBondContact O-N 3.12Å; G654-C658 PolarHBondContact O-SG 3.46Å
655F64.2Low66.1Low75 Ų7535.9 Ų35.933%0.32917%0.174SC..Hα-helixtrans-58.5-38.6175.1-81.8-72.5000113.1I617 M620 K651 L652I617-F655 HydrophobicContact CG2-CD2 4.21Å; I617-F655 HydrophobicContact CG2-CE2 3.98Å; M620-F655 HydrophobicContact CG-CB 3.97Å; M620-F655 HydrophobicContact SD-CB 3.64Å; K651-F655 HydrophobicContact CG-CD2 4.34Å; K651-F655 HydrophobicContact CG-CE2 4.11Å; K651-F655 VanDerWaalsContact O-CD2 3.3Å; K651-F655 WeakPolarHBondContact O-CD2 3.33Å; K651-F655 PolarHBondContact O-N 3Å; K651-F655 VanDerWaalsContact O-N 3.09Å; L652-F655 PolarHBondContact O-N 3.42Å
656F68.4Low65.6Low16 Ų1638.3 Ų38.37%0.0719%0.186CC..Hα-helixtrans-66.8-58176.6172.6-97.5000112M620 F631 D632 L652 L653 G654 C658 R659 C660 F1186M620-F656 HydrophobicContact CE-CB 4.37Å; M620-F656 HydrophobicContact CE-CD2 4.5Å; M620-F656 HydrophobicContact SD-CB 4.13Å; F631-F656 HydrophobicContact CB-CD2 3.65Å; F631-F656 HydrophobicContact CB-CE2 3.74Å; F631-F656 HydrophobicContact CD1-CD2 4.47Å; F631-F656 HydrophobicContact CG-CD2 4.36Å; D632-F656 HydrophobicContact CB-CE2 3.95Å; D632-F656 HydrophobicContact CB-CZ 4.06Å; D632-F656 WeakPolarHBondContact OD1-CZ 3.32Å; L652-F656 WeakPolarHBondContact O-CB 3.38Å; L652-F656 PolarHBondContact O-N 2.95Å; L653-F656 HydrophobicContact CD1-CD1 4.24Å; L653-F656 PolarHBondContact O-N 3.24Å; G654-F656 VanDerWaalsContact C-N 3.28Å; G654-F656 PolarHBondContact O-N 3.41Å; F656-C658 VanDerWaalsContact C-N 3.28Å; F656-C658 PolarHBondContact O-N 2.95Å; F656-R659 PolarHBondContact O-N 2.83Å; F656-C660 PolarHBondContact O-SG 3.04Å; F656-F1186 HydrophobicContact CE2-CE1 4.24Å; F656-F1186 AromaticContact CE2-CZ 3.61Å; F656-F1186 HydrophobicContact CE2-CZ 3.61Å; F656-F1186 AromaticContact CZ-CE1 3.99Å; F656-F1186 HydrophobicContact CZ-CE1 3.99Å; F656-F1186 AromaticContact CZ-CZ 3.84Å; F656-F1186 HydrophobicContact CZ-CZ 3.84Å
657L65.8Low65.2Low1 Ų139 Ų391%0.00519%0.193CC..Hα-helixtrans-62.3-33.3-175.8-70.2178.9000112.1L653 G654 R659 C660 K665 A668 M669 L703L653-L657 HydrophobicContact CD1-CD1 3.89Å; L653-L657 HydrophobicContact CD1-CD2 4.19Å; L653-L657 HydrophobicContact CD1-CG 3.74Å; L653-L657 HydrophobicContact CD2-CD1 4.05Å; L653-L657 HydrophobicContact CG-CD1 3.67Å; L653-L657 HydrophobicContact CG-CG 3.91Å; L653-L657 WeakPolarHBondContact O-CB 3.39Å; L653-L657 VanDerWaalsContact O-CG 3.31Å; L653-L657 WeakPolarHBondContact O-CG 3.46Å; L653-L657 PolarHBondContact O-N 3.34Å; G654-L657 PolarHBondContact O-N 3.23Å; L657-R659 PolarHBondContact O-N 3.03Å; L657-C660 PolarHBondContact O-N 3.46Å; L657-K665 HydrophobicContact CD2-CG 4.19Å; L657-K665 WeakPolarHBondContact O-CE 3.38Å; L657-K665 PolarHBondContact O-NZ 3.24Å; L657-A668 HydrophobicContact CD2-CB 3.9Å; L657-M669 HydrophobicContact CD1-CG 4.45Å; L657-L703 HydrophobicContact CB-CD2 3.58Å; L657-L703 HydrophobicContact CD1-CD1 4.4Å; L657-L703 HydrophobicContact CD1-CD2 4.17Å
658C63Low65Low51 Ų5138 Ų3835%0.34519%0.192SC..Hα-helixtrans-49.8-32.8172.9-78.60000112.6G654 F656G654-C658 PolarHBondContact O-N 3.12Å; G654-C658 PolarHBondContact O-SG 3.46Å; F656-C658 VanDerWaalsContact C-N 3.28Å; F656-C658 PolarHBondContact O-N 2.95Å
659R64.1Low64.6Low81 Ų8137.5 Ų37.531%0.30619%0.189SC..THydrogen-bonded Turntrans-98.213.6-179.2-59.9-139.5163.487-9114.8V628 F656 L657 D1179V628-R659 HydrophobicContact CG1-CB 4.2Å; V628-R659 HydrophobicContact CG2-CB 4.11Å; V628-R659 HydrophobicContact CG2-CG 4.48Å; F656-R659 PolarHBondContact O-N 2.83Å; L657-R659 PolarHBondContact O-N 3.03Å; R659-D1179 WeakPolarHBondContact CD-OD1 3.16Å; R659-D1179 IonicContact NE-OD1 2.82Å; R659-D1179 PolarHBondContact NE-OD1 2.7Å
660C61.4Low63.9Low9 Ų940.7 Ų40.76%0.06121%0.208CC..SBendtrans-102.4151.2177-61.50000113.5F656 L657 R664 K665 H1183F656-C660 PolarHBondContact O-SG 3.04Å; L657-C660 PolarHBondContact O-N 3.46Å; C660-R664 HydrophobicContact CB-CB 4.34Å; C660-R664 HydrophobicContact CB-CG 4.48Å; C660-K665 HydrophobicContact CB-CG 3.86Å; C660-K665 WeakPolarHBondContact O-CE 3.29Å; C660-K665 PolarHBondContact O-NZ 2.97Å; C660-H1183 VanDerWaalsContact CA-CE1 3.42Å; C660-H1183 WeakPolarHBondContact CA-CE1 3.18Å; C660-H1183 WeakPolarHBondContact CA-ND1 3.21Å
661T63.3Low63.2Low49 Ų4943.5 Ų43.530%0.30123%0.227SC..  trans-73.8170.4165.271.50000111.8K665 H1183T661-K665 WeakPolarHBondContact O-CB 3.47Å; T661-K665 WeakPolarHBondContact O-CG 3.45Å; T661-K665 PolarHBondContact O-N 3.25Å; T661-H1183 WeakPolarHBondContact CB-CD2 3.31Å; T661-H1183 HydrophobicContact CG2-CB 3.54Å; T661-H1183 WeakPolarHBondContact CG2-CD2 3.47Å; T661-H1183 VanDerWaalsContact CG2-CG 3.4Å; T661-H1183 PolarHBondContact N-CD2 3.25Å; T661-H1183 VanDerWaalsContact N-CD2 3.34Å; T661-H1183 PolarHBondContact N-CE1 2.74Å; T661-H1183 VanDerWaalsContact N-CG 3.29Å; T661-H1183 PolarHBondContact N-ND1 3.18Å; T661-H1183 PolarHBondContact N-NE2 3.14Å; T661-H1183 VanDerWaalsContact N-NE2 3.13Å; T661-H1183 PolarHBondContact OG1-CD2 3.33Å; T661-H1183 PolarHBondContact OG1-NE2 3.21Å
662A60Low62.5Low20 Ų2041.5 Ų41.517%0.16522%0.219CC..Hα-helixtrans-45.3-60.8170.400000113.6R664 K665 Q666 E713 I716A662-R664 VanDerWaalsContact C-N 3.34Å; A662-R664 PolarHBondContact O-N 3.3Å; A662-K665 CarbonylContact O-C 3.49Å; A662-K665 WeakPolarHBondContact O-CA 3.38Å; A662-K665 WeakPolarHBondContact O-CB 3.34Å; A662-K665 PolarHBondContact O-N 3.42Å; A662-Q666 PolarHBondContact O-N 3.31Å; A662-E713 HydrophobicContact CB-CB 4.44Å; A662-E713 HydrophobicContact CB-CG 3.32Å; A662-I716 VanDerWaalsContact CA-CD1 3.43Å; A662-I716 HydrophobicContact CB-CD1 3.61Å; A662-I716 WeakPolarHBondContact O-CD1 3.49Å
663K61Low61.6Low105 Ų10543.5 Ų43.546%0.45723%0.23SC..Hα-helixtrans-59.1-45-170.8-174-175.2162.6-132.70111.7K665 Q666 D667 A712 E1187K663-K665 PolarHBondContact O-N 2.94Å; K663-Q666 VanDerWaalsContact O-CB 3.3Å; K663-Q666 WeakPolarHBondContact O-CB 3.46Å; K663-Q666 PolarHBondContact O-N 3.39Å; K663-Q666 VanDerWaalsContact O-N 3.12Å; K663-D667 PolarHBondContact O-N 3.07Å; K663-A712 HydrophobicContact CB-CB 4.49Å; K663-E1187 WeakPolarHBondContact CB-OE1 3.4Å; K663-E1187 IonicContact NZ-OE2 3.74Å; K663-E1187 PolarHBondContact NZ-OE2 3.33Å
664R62.2Low61.1Low46 Ų4642.4 Ų42.417%0.17422%0.224CC..Hα-helixtrans-62.6-35.8171.3-164.7551651742114.6D632 C660 A662 Q666 D667 A668 H1183 F1186 E1187D632-R664 VanDerWaalsContact CG-NH2 3.3Å; D632-R664 PolarHBondContact O-NH2 2.9Å; D632-R664 IonicContact OD1-CZ 3.49Å; D632-R664 IonicContact OD1-NE 3.81Å; D632-R664 PolarHBondContact OD1-NE 3.45Å; D632-R664 IonicContact OD1-NH2 2.7Å; D632-R664 PolarHBondContact OD1-NH2 3.39Å; D632-R664 IonicContact OD2-CZ 3.2Å; D632-R664 IonicContact OD2-NE 3.74Å; D632-R664 IonicContact OD2-NH2 2.86Å; C660-R664 HydrophobicContact CB-CB 4.34Å; C660-R664 HydrophobicContact CB-CG 4.48Å; A662-R664 VanDerWaalsContact C-N 3.34Å; A662-R664 PolarHBondContact O-N 3.3Å; R664-Q666 VanDerWaalsContact C-N 3.33Å; R664-D667 PolarHBondContact O-N 3.17Å; R664-A668 WeakPolarHBondContact O-CB 3.28Å; R664-A668 PolarHBondContact O-N 3.4Å; R664-H1183 WeakPolarHBondContact CB-CE1 3.29Å; R664-H1183 WeakPolarHBondContact CB-NE2 3.45Å; R664-F1186 HydrophobicContact CG-CD1 4.16Å; R664-F1186 HydrophobicContact CG-CE1 4.05Å; R664-E1187 HydrophobicContact CB-CG 4.09Å; R664-E1187 WeakPolarHBondContact CB-OE1 3.4Å; R664-E1187 HydrophobicContact CG-CG 4.46Å; R664-E1187 PolarHBondContact N-OE1 3.26Å
665K65.5Low60.9Low15 Ų1545.5 Ų45.57%0.06523%0.234CC..Hα-helixtrans-64.1-37.3172.3-73.8170173.9158.60111.9L657 C660 T661 A662 K663 M669 S702 L703 I716L657-K665 HydrophobicContact CD2-CG 4.19Å; L657-K665 WeakPolarHBondContact O-CE 3.38Å; L657-K665 PolarHBondContact O-NZ 3.24Å; C660-K665 HydrophobicContact CB-CG 3.86Å; C660-K665 WeakPolarHBondContact O-CE 3.29Å; C660-K665 PolarHBondContact O-NZ 2.97Å; T661-K665 WeakPolarHBondContact O-CB 3.47Å; T661-K665 WeakPolarHBondContact O-CG 3.45Å; T661-K665 PolarHBondContact O-N 3.25Å; A662-K665 CarbonylContact O-C 3.49Å; A662-K665 WeakPolarHBondContact O-CA 3.38Å; A662-K665 WeakPolarHBondContact O-CB 3.34Å; A662-K665 PolarHBondContact O-N 3.42Å; K663-K665 PolarHBondContact O-N 2.94Å; K665-M669 HydrophobicContact CB-CE 4.48Å; K665-M669 VanDerWaalsContact O-CB 3.26Å; K665-M669 WeakPolarHBondContact O-CB 3.41Å; K665-M669 VanDerWaalsContact O-CG 3.27Å; K665-M669 WeakPolarHBondContact O-CG 3.43Å; K665-M669 PolarHBondContact O-N 3.01Å; K665-S702 PolarHBondContact NZ-O 2.89Å; K665-L703 HydrophobicContact CD-CB 4.3Å; K665-L703 HydrophobicContact CD-CD2 4.27Å; K665-L703 WeakPolarHBondContact CD-O 3.41Å; K665-I716 HydrophobicContact CB-CD1 4.3Å
666Q61.9Low60.9Low51 Ų5145.9 Ų45.924%0.23824%0.243CC..Hα-helixtrans-62.7-52171-173.7-171.1-4.400110.7A662 K663 R664 A668 M669 T670 S715 I716A662-Q666 PolarHBondContact O-N 3.31Å; K663-Q666 VanDerWaalsContact O-CB 3.3Å; K663-Q666 WeakPolarHBondContact O-CB 3.46Å; K663-Q666 PolarHBondContact O-N 3.39Å; K663-Q666 VanDerWaalsContact O-N 3.12Å; R664-Q666 VanDerWaalsContact C-N 3.33Å; Q666-A668 VanDerWaalsContact C-N 3.31Å; Q666-A668 PolarHBondContact O-N 3.3Å; Q666-M669 PolarHBondContact O-N 3.26Å; Q666-T670 HydrophobicContact CG-CG2 4.35Å; Q666-T670 WeakPolarHBondContact O-CB 3.44Å; Q666-T670 WeakPolarHBondContact O-CG2 3.4Å; Q666-T670 PolarHBondContact O-N 3.15Å; Q666-T670 PolarHBondContact O-OG1 2.78Å; Q666-S715 WeakPolarHBondContact CG-OG 3.42Å; Q666-S715 PolarHBondContact NE2-OG 3.27Å; Q666-S715 VanDerWaalsContact NE2-OG 3.16Å; Q666-I716 HydrophobicContact CB-CD1 3.93Å; Q666-I716 HydrophobicContact CB-CG1 3.65Å; Q666-I716 HydrophobicContact CG-CG1 4.33Å
667D61.3Low60.6Low65 Ų6546.9 Ų46.935%0.34825%0.248SC..Hα-helixtrans-70.4-25.3-174.9-68.3-14000112.8K663 R664 P671K663-D667 PolarHBondContact O-N 3.07Å; R664-D667 PolarHBondContact O-N 3.17Å; D667-P671 WeakPolarHBondContact O-CD 3.39Å; D667-P671 VanDerWaalsContact O-CG 3.26Å; D667-P671 WeakPolarHBondContact O-CG 3.16Å
668A61.6Low60.5Low25 Ų2547 Ų4721%0.20725%0.249CC..Hα-helixtrans-82.2-37.8173.200000112L657 R664 Q666L657-A668 HydrophobicContact CD2-CB 3.9Å; R664-A668 WeakPolarHBondContact O-CB 3.28Å; R664-A668 PolarHBondContact O-N 3.4Å; Q666-A668 VanDerWaalsContact C-N 3.31Å; Q666-A668 PolarHBondContact O-N 3.3Å
669M62.3Low60.5Low5 Ų547.5 Ų47.53%0.02525%0.251CS..Hα-helixtrans-77-38.3178.3-70.1-164.5-68.600112.8L657 K665 Q666 H672 N673 L703 I716 L719L657-M669 HydrophobicContact CD1-CG 4.45Å; K665-M669 HydrophobicContact CB-CE 4.48Å; K665-M669 VanDerWaalsContact O-CB 3.26Å; K665-M669 WeakPolarHBondContact O-CB 3.41Å; K665-M669 VanDerWaalsContact O-CG 3.27Å; K665-M669 WeakPolarHBondContact O-CG 3.43Å; K665-M669 PolarHBondContact O-N 3.01Å; Q666-M669 PolarHBondContact O-N 3.26Å; M669-H672 CarbonylContact O-C 3.53Å; M669-H672 PolarHBondContact O-N 3.49Å; M669-N673 WeakPolarHBondContact O-CA 3.23Å; M669-N673 PolarHBondContact O-N 2.97Å; M669-N673 PolarHBondContact O-OD1 3.23Å; M669-L703 HydrophobicContact SD-CD1 4.08Å; M669-I716 HydrophobicContact CE-CG2 3.72Å; M669-L719 HydrophobicContact CB-CD2 3.81Å; M669-L719 HydrophobicContact CE-CD2 3.65Å; M669-L719 HydrophobicContact CG-CD2 4.22Å; M669-L719 HydrophobicContact SD-CD2 3.47Å; M669-L719 WeakPolarHBondContact SD-CD2 3.37Å
670T56.3Low60.3Low74 Ų7447.6 Ų47.645%0.45426%0.257SS..THydrogen-bonded Turntrans-59.8-45.7-176.139.20000116.5Q666 N673Q666-T670 HydrophobicContact CG-CG2 4.35Å; Q666-T670 WeakPolarHBondContact O-CB 3.44Å; Q666-T670 WeakPolarHBondContact O-CG2 3.4Å; Q666-T670 PolarHBondContact O-N 3.15Å; Q666-T670 PolarHBondContact O-OG1 2.78Å; T670-N673 PolarHBondContact O-OD1 3.41Å
671P51.6Low60Low74 Ų7451.7 Ų51.748%0.48129%0.286SS..THydrogen-bonded Turntrans-80.5-18179.232.8-36.7000113.4D667D667-P671 WeakPolarHBondContact O-CD 3.39Å; D667-P671 VanDerWaalsContact O-CG 3.26Å; D667-P671 WeakPolarHBondContact O-CG 3.16Å
672H51.5Low59.6Low65 Ų6552.7 Ų52.730%0.30130%0.295SS..THydrogen-bonded Turntrans-129.750.9-178.8-63.2-38.5000109.4K635 I638 M669 L674K635-H672 WeakPolarHBondContact CD-NE2 3.28Å; I638-H672 HydrophobicContact CD1-CB 4.28Å; M669-H672 CarbonylContact O-C 3.53Å; M669-H672 PolarHBondContact O-N 3.49Å; H672-L674 PolarHBondContact O-N 3.38Å
673N53.5Low59.8Low51 Ų5151.8 Ų51.827%0.27329%0.287SS..  trans-46.1103.1-173.8-90.7-26.2000110.4M669 T670 Y675 T676 L677M669-N673 WeakPolarHBondContact O-CA 3.23Å; M669-N673 PolarHBondContact O-N 2.97Å; M669-N673 PolarHBondContact O-OD1 3.23Å; T670-N673 PolarHBondContact O-OD1 3.41Å; N673-Y675 CarbonylContact O-C 3.41Å; N673-Y675 PolarHBondContact O-N 3.47Å; N673-Y675 VanDerWaalsContact O-N 3.07Å; N673-T676 WeakPolarHBondContact CB-OG1 2.97Å; N673-T676 WeakPolarHBondContact O-CB 3.28Å; N673-T676 PolarHBondContact O-N 3.11Å; N673-L677 PolarHBondContact O-N 3.4Å
674L60.4Low60.3Low4 Ų452.1 Ų52.12%0.02129%0.289CS..Hα-helixtrans-49.6-32.5166.8177.356.8000110.1L650 H672 L677 L678 W699 L723L650-L674 HydrophobicContact CD1-CD1 3.39Å; H672-L674 PolarHBondContact O-N 3.38Å; L674-L677 WeakPolarHBondContact O-CB 3.24Å; L674-L677 PolarHBondContact O-N 3.1Å; L674-L678 HydrophobicContact CD1-CD1 4.07Å; L674-L678 HydrophobicContact CG-CD1 4.14Å; L674-L678 WeakPolarHBondContact O-CG 3.19Å; L674-L678 PolarHBondContact O-N 3.28Å; L674-W699 HydrophobicContact CD2-CH2 3.77Å; L674-W699 HydrophobicContact CD2-CZ2 4.48Å; L674-W699 HydrophobicContact CD2-CZ3 4.44Å; L674-L723 HydrophobicContact CB-CD2 4.28Å; L674-L723 HydrophobicContact CD2-CD1 3.84Å; L674-L723 HydrophobicContact CD2-CD2 4.28Å; L674-L723 HydrophobicContact CG-CD1 4.19Å; L674-L723 HydrophobicContact CG-CD2 3.82Å
675Y60.1Low60.6Low73 Ų7354.8 Ų54.829%0.28630%0.303SS..Hα-helixtrans-56-54.7168.7-176.5-109.7000113.2N673 L677 L678 V679 Q722N673-Y675 CarbonylContact O-C 3.41Å; N673-Y675 PolarHBondContact O-N 3.47Å; N673-Y675 VanDerWaalsContact O-N 3.07Å; Y675-L677 PolarHBondContact O-N 3.41Å; Y675-L678 CarbonylContact O-C 3.57Å; Y675-L678 PolarHBondContact O-N 2.94Å; Y675-V679 HydrophobicContact CD1-CG2 3.98Å; Y675-V679 HydrophobicContact CD2-CG2 3.69Å; Y675-V679 HydrophobicContact CE1-CG2 3.73Å; Y675-V679 HydrophobicContact CE2-CG2 3.39Å; Y675-V679 HydrophobicContact CG-CG2 3.97Å; Y675-V679 VanDerWaalsContact CZ-CG2 3.43Å; Y675-V679 WeakPolarHBondContact O-CB 3.37Å; Y675-V679 WeakPolarHBondContact O-CG2 3.28Å; Y675-V679 PolarHBondContact O-N 3.21Å; Y675-Q722 HydrophobicContact CD2-CB 3.85Å; Y675-Q722 HydrophobicContact CE2-CB 3.66Å; Y675-Q722 HydrophobicContact CE2-CG 4.36Å
676T63.7Low60.8Low84 Ų8454.8 Ų54.852%0.51530%0.304SS..Hα-helixtrans-56.9-39.4178.3-45.90000111.5N673 L678 V679 D680N673-T676 WeakPolarHBondContact CB-OG1 2.97Å; N673-T676 WeakPolarHBondContact O-CB 3.28Å; N673-T676 PolarHBondContact O-N 3.11Å; T676-L678 PolarHBondContact O-N 3.09Å; T676-V679 PolarHBondContact O-N 3.43Å; T676-D680 PolarHBondContact O-N 3.3Å
677L61.4Low61.6Low36 Ų3653.8 Ų53.819%0.18830%0.298CS..Hα-helixtrans-65.1-22178.4-115.3179.7000115.1I638 R646 N673 L674 Y675 S683 N686I638-L677 HydrophobicContact CG2-CD1 3.29Å; R646-L677 VanDerWaalsContact CD-CD2 3.43Å; R646-L677 HydrophobicContact CG-CD2 4.47Å; N673-L677 PolarHBondContact O-N 3.4Å; L674-L677 WeakPolarHBondContact O-CB 3.24Å; L674-L677 PolarHBondContact O-N 3.1Å; Y675-L677 PolarHBondContact O-N 3.41Å; L677-S683 WeakPolarHBondContact O-CB 3.43Å; L677-N686 PolarHBondContact O-ND2 3.26Å
678L64.4Low62.4Low3 Ų356.7 Ų56.72%0.01630%0.304CS..Hα-helixtrans-109.1-9179.7-68.5167000112.7L674 Y675 T676 S683 N686 R687 I690 L723 T726 L727L674-L678 HydrophobicContact CD1-CD1 4.07Å; L674-L678 HydrophobicContact CG-CD1 4.14Å; L674-L678 WeakPolarHBondContact O-CG 3.19Å; L674-L678 PolarHBondContact O-N 3.28Å; Y675-L678 CarbonylContact O-C 3.57Å; Y675-L678 PolarHBondContact O-N 2.94Å; T676-L678 PolarHBondContact O-N 3.09Å; L678-S683 VanDerWaalsContact C-OG 3.3Å; L678-S683 PolarHBondContact O-OG 3.45Å; L678-N686 HydrophobicContact CD2-CB 3.99Å; L678-R687 HydrophobicContact CB-CG 4.41Å; L678-R687 HydrophobicContact CD2-CB 4.46Å; L678-R687 HydrophobicContact CD2-CG 3.75Å; L678-R687 WeakPolarHBondContact O-CD 3.49Å; L678-R687 PolarHBondContact O-NE 2.91Å; L678-R687 PolarHBondContact O-NH1 3.4Å; L678-R687 PolarHBondContact O-NH2 3.42Å; L678-R687 VanDerWaalsContact O-NH2 3.11Å; L678-I690 HydrophobicContact CD1-CD1 3.76Å; L678-I690 HydrophobicContact CD2-CD1 3.59Å; L678-I690 HydrophobicContact CG-CD1 4.22Å; L678-L723 HydrophobicContact CD1-CD2 3.64Å; L678-T726 HydrophobicContact CB-CG2 4.19Å; L678-T726 WeakPolarHBondContact O-CG2 3.49Å; L678-L727 HydrophobicContact CD2-CD2 4.39Å
679V62Low62.8Low63 Ų6356.9 Ų56.938%0.38230%0.304SS..Hα-helixtrans-92.7-38.6-179.9165.80000111.4Y675 T676 R687 T726Y675-V679 HydrophobicContact CD1-CG2 3.98Å; Y675-V679 HydrophobicContact CD2-CG2 3.69Å; Y675-V679 HydrophobicContact CE1-CG2 3.73Å; Y675-V679 HydrophobicContact CE2-CG2 3.39Å; Y675-V679 HydrophobicContact CG-CG2 3.97Å; Y675-V679 VanDerWaalsContact CZ-CG2 3.43Å; Y675-V679 WeakPolarHBondContact O-CB 3.37Å; Y675-V679 WeakPolarHBondContact O-CG2 3.28Å; Y675-V679 PolarHBondContact O-N 3.21Å; T676-V679 PolarHBondContact O-N 3.43Å; V679-R687 PolarHBondContact O-NH2 2.89Å; V679-T726 HydrophobicContact CG2-CG2 4.45Å
680D61.2Low63.3Low83 Ų8356.8 Ų56.844%0.44430%0.303SS..SBendtrans-57.1143.7-178.2-17525.7000111.8T676 S682 S683 R687T676-D680 PolarHBondContact O-N 3.3Å; D680-S682 PolarHBondContact O-N 2.88Å; D680-S682 WeakPolarHBondContact OD2-CB 3.33Å; D680-S682 PolarHBondContact OD2-OG 3.33Å; D680-S683 VanDerWaalsContact O-CB 3.3Å; D680-S683 WeakPolarHBondContact O-CB 3.47Å; D680-S683 PolarHBondContact O-N 2.86Å; D680-S683 PolarHBondContact O-OG 3.3Å; D680-R687 PolarHBondContact O-NH2 3.22Å
681S54.3Low64.4Low94 Ų9454.6 Ų54.666%0.65729%0.289SS*.G310 helixtrans-58.5-27.5-177.761.50000113.5S683S681-S683 PolarHBondContact O-N 2.85Å
682S54.9Low65.5Low71 Ų7157.9 Ų57.950%0.49730%0.297SS..G310 helixtrans-70.7-6.1174.868.70000114.9D680D680-S682 PolarHBondContact O-N 2.88Å; D680-S682 WeakPolarHBondContact OD2-CB 3.33Å; D680-S682 PolarHBondContact OD2-OG 3.33Å
683S65.3Low66.2Low1 Ų158.2 Ų58.21%0.00730%0.3CS..G310 helixtrans-100.717.2-169.569.70000115.5L677 L678 D680 S681 E685 N686 R687L677-S683 WeakPolarHBondContact O-CB 3.43Å; L678-S683 VanDerWaalsContact C-OG 3.3Å; L678-S683 PolarHBondContact O-OG 3.45Å; D680-S683 VanDerWaalsContact O-CB 3.3Å; D680-S683 WeakPolarHBondContact O-CB 3.47Å; D680-S683 PolarHBondContact O-N 2.86Å; D680-S683 PolarHBondContact O-OG 3.3Å; S681-S683 PolarHBondContact O-N 2.85Å; S683-E685 PolarHBondContact O-N 3.49Å; S683-N686 WeakPolarHBondContact O-CB 3.33Å; S683-N686 PolarHBondContact O-N 2.87Å; S683-N686 VanDerWaalsContact O-N 3.09Å; S683-R687 WeakPolarHBondContact O-CG 3.4Å; S683-R687 PolarHBondContact O-N 2.84Å; S683-R687 PolarHBondContact OG-NE 2.82Å; S683-R687 VanDerWaalsContact OG-NE 3.15Å; S683-R687 PolarHBondContact OG-NH2 3.44Å; S683-R687 VanDerWaalsContact OG-NH2 3.1Å
684K71.8Confident66.8Low112 Ų11261.1 Ų61.149%0.48733%0.325SS..Hα-helixtrans-58.1-40.6-179.1-70179.9-178.2176.60111.3R687 R688 H730 L734K684-R687 PolarHBondContact O-N 3.11Å; K684-R688 WeakPolarHBondContact O-CB 3.43Å; K684-R688 PolarHBondContact O-N 3.15Å; K684-H730 PolarHBondContact O-CE1 3.12Å; K684-H730 VanDerWaalsContact O-CE1 3.24Å; K684-L734 HydrophobicContact CD-CD1 4.19Å; K684-L734 HydrophobicContact CG-CD1 4.38Å
685E67.2Low67.2Low101 Ų10164.9 Ų64.947%0.47235%0.348SS..Hα-helixtrans-64.4-41.7175.1-68.167.6-151.800111.7S683 R688 S689S683-E685 PolarHBondContact O-N 3.49Å; E685-R688 PolarHBondContact O-N 2.86Å; E685-S689 VanDerWaalsContact O-CB 3.28Å; E685-S689 WeakPolarHBondContact O-CB 3.34Å; E685-S689 PolarHBondContact O-N 3.47Å; E685-S689 PolarHBondContact O-OG 3.32Å
686N69.6Low68.2Low15 Ų1561.8 Ų61.88%0.0834%0.335CS..Hα-helixtrans-61.4-47.1175.6-64.6-26.7000111.5L677 L678 S683 S689 I690L677-N686 PolarHBondContact O-ND2 3.26Å; L678-N686 HydrophobicContact CD2-CB 3.99Å; S683-N686 WeakPolarHBondContact O-CB 3.33Å; S683-N686 PolarHBondContact O-N 2.87Å; S683-N686 VanDerWaalsContact O-N 3.09Å; N686-S689 PolarHBondContact O-N 2.83Å; N686-I690 WeakPolarHBondContact O-CG1 3.24Å; N686-I690 PolarHBondContact O-N 3.31Å
687R80Confident69.1Low30 Ų3058.7 Ų58.711%0.11332%0.315CS..Hα-helixtrans-61.9-47.5179.2-65.6176.4-131-152.6-3.4110.7L678 V679 D680 S683 K684 S689 I690 L691 L727 H730L678-R687 HydrophobicContact CB-CG 4.41Å; L678-R687 HydrophobicContact CD2-CB 4.46Å; L678-R687 HydrophobicContact CD2-CG 3.75Å; L678-R687 WeakPolarHBondContact O-CD 3.49Å; L678-R687 PolarHBondContact O-NE 2.91Å; L678-R687 PolarHBondContact O-NH1 3.4Å; L678-R687 PolarHBondContact O-NH2 3.42Å; L678-R687 VanDerWaalsContact O-NH2 3.11Å; V679-R687 PolarHBondContact O-NH2 2.89Å; D680-R687 PolarHBondContact O-NH2 3.22Å; S683-R687 WeakPolarHBondContact O-CG 3.4Å; S683-R687 PolarHBondContact O-N 2.84Å; S683-R687 PolarHBondContact OG-NE 2.82Å; S683-R687 VanDerWaalsContact OG-NE 3.15Å; S683-R687 PolarHBondContact OG-NH2 3.44Å; S683-R687 VanDerWaalsContact OG-NH2 3.1Å; K684-R687 PolarHBondContact O-N 3.11Å; R687-S689 VanDerWaalsContact C-N 3.34Å; R687-S689 PolarHBondContact O-N 3.4Å; R687-I690 PolarHBondContact O-N 2.94Å; R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.21Å; R687-L691 PolarHBondContact O-N 3.19Å; R687-L727 HydrophobicContact CB-CD2 4.15Å; R687-L727 HydrophobicContact CG-CD2 4.36Å; R687-H730 HydrophobicContact CB-CB 4.1Å
688R77.4Confident69.6Low127 Ų12757.6 Ų57.648%0.47931%0.309SS..Hα-helixtrans-59.5-42.4176-171.2167.6-150.2-151.50.3112.5K684 E685 L691 Q692 E735K684-R688 WeakPolarHBondContact O-CB 3.43Å; K684-R688 PolarHBondContact O-N 3.15Å; E685-R688 PolarHBondContact O-N 2.86Å; R688-L691 PolarHBondContact O-N 3.39Å; R688-Q692 WeakPolarHBondContact O-CG 3.36Å; R688-Q692 PolarHBondContact O-N 3.17Å; R688-Q692 VanDerWaalsContact O-N 3.09Å; R688-E735 VanDerWaalsContact CD-OE1 3.24Å; R688-E735 WeakPolarHBondContact CD-OE1 3.46Å; R688-E735 VanDerWaalsContact CG-OE1 3.23Å; R688-E735 WeakPolarHBondContact CG-OE1 3.33Å; R688-E735 IonicContact CZ-OE2 3.52Å; R688-E735 IonicContact NE-OE1 3.7Å; R688-E735 PolarHBondContact NE-OE1 3.17Å; R688-E735 IonicContact NE-OE2 3.6Å; R688-E735 PolarHBondContact NE-OE2 3.24Å; R688-E735 IonicContact NH2-OE2 3.99Å; R688-E735 PolarHBondContact NH2-OE2 3.36Å
689S69.1Low69.9Low29 Ų2958.8 Ų58.820%0.20331%0.314CS..Hα-helixtrans-63.8-43.6177.3-62.80000112.1E685 N686 R687 L691 Q692 M693E685-S689 VanDerWaalsContact O-CB 3.28Å; E685-S689 WeakPolarHBondContact O-CB 3.34Å; E685-S689 PolarHBondContact O-N 3.47Å; E685-S689 PolarHBondContact O-OG 3.32Å; N686-S689 PolarHBondContact O-N 2.83Å; R687-S689 VanDerWaalsContact C-N 3.34Å; R687-S689 PolarHBondContact O-N 3.4Å; S689-L691 PolarHBondContact O-N 3.34Å; S689-Q692 PolarHBondContact O-N 2.93Å; S689-M693 WeakPolarHBondContact O-CG 3.48Å; S689-M693 PolarHBondContact O-N 3.06Å
690I73.2Confident70.7Confident2 Ų255.9 Ų55.91%0.0130%0.296CS..Hα-helixtrans-63.8-40.7175-67.4178.2000111.2L650 L678 N686 R687 Q692 M693 W696 L727L650-I690 HydrophobicContact CD2-CD1 3.8Å; L650-I690 HydrophobicContact CD2-CG1 3.97Å; L678-I690 HydrophobicContact CD1-CD1 3.76Å; L678-I690 HydrophobicContact CD2-CD1 3.59Å; L678-I690 HydrophobicContact CG-CD1 4.22Å; N686-I690 WeakPolarHBondContact O-CG1 3.24Å; N686-I690 PolarHBondContact O-N 3.31Å; R687-I690 PolarHBondContact O-N 2.94Å; I690-Q692 PolarHBondContact O-N 2.97Å; I690-M693 HydrophobicContact CG1-SD 4.32Å; I690-M693 WeakPolarHBondContact O-CB 3.02Å; I690-M693 PolarHBondContact O-N 2.61Å; I690-W696 HydrophobicContact CG2-CB 4.14Å; I690-W696 HydrophobicContact CG2-CD2 4.49Å; I690-W696 HydrophobicContact CG2-CG 4.34Å; I690-L727 HydrophobicContact CB-CD2 4.12Å; I690-L727 HydrophobicContact CG2-CD1 3.83Å; I690-L727 HydrophobicContact CG2-CD2 4.04Å
691L79Confident71.5Confident29 Ų2952.1 Ų52.115%0.15228%0.276CS..Hα-helixtrans-63.3-26.9176.8-70.6168.8000113R687 R688 S689 W696 L727 H730 A731 E735 V741R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.21Å; R687-L691 PolarHBondContact O-N 3.19Å; R688-L691 PolarHBondContact O-N 3.39Å; S689-L691 PolarHBondContact O-N 3.34Å; L691-W696 HydrophobicContact CD2-CH2 4.45Å; L691-W696 HydrophobicContact CD2-CZ2 3.77Å; L691-L727 HydrophobicContact CD2-CB 4.32Å; L691-L727 HydrophobicContact CG-CD2 4.42Å; L691-H730 VanDerWaalsContact CD1-CD2 3.47Å; L691-H730 WeakPolarHBondContact CD1-CD2 3.43Å; L691-A731 HydrophobicContact CD1-CB 3.98Å; L691-A731 HydrophobicContact CD2-CB 4.3Å; L691-E735 HydrophobicContact CD1-CG 4.23Å; L691-V741 HydrophobicContact CD2-CG1 3.85Å
692Q74.6Confident72.3Confident142 Ų14248.8 Ų48.866%0.66425%0.253SS*.Hα-helixtrans-83.6-12.3173-68.7175.17.900113.7R688 S689 I690 S694R688-Q692 WeakPolarHBondContact O-CG 3.36Å; R688-Q692 PolarHBondContact O-N 3.17Å; R688-Q692 VanDerWaalsContact O-N 3.09Å; S689-Q692 PolarHBondContact O-N 2.93Å; I690-Q692 PolarHBondContact O-N 2.97Å; Q692-S694 PolarHBondContact O-N 2.89Å
693M67.8Low73.2Confident73 Ų7345.5 Ų45.536%0.3623%0.229SC..SBendtrans-71126.8174.9-69.5174.160.400110.6S689 I690 V695 W696S689-M693 WeakPolarHBondContact O-CG 3.48Å; S689-M693 PolarHBondContact O-N 3.06Å; I690-M693 HydrophobicContact CG1-SD 4.32Å; I690-M693 WeakPolarHBondContact O-CB 3.02Å; I690-M693 PolarHBondContact O-N 2.61Å; M693-V695 PolarHBondContact O-N 2.77Å; M693-W696 HydrophobicContact CB-CB 4.36Å
694S64.6Low73.9Confident112 Ų11246.3 Ų46.378%0.78323%0.234SC*.THydrogen-bonded Turntrans-56.3129.7172.659.60000111.2Q692 W696Q692-S694 PolarHBondContact O-N 2.89Å; S694-W696 VanDerWaalsContact C-N 3.31Å; S694-W696 PolarHBondContact O-N 3.07Å
695V68.9Low74Confident83 Ų8342.7 Ų42.750%0.50322%0.223SC..THydrogen-bonded Turntrans68.423.8169.4-1660000114M693 Q697 D698 W699M693-V695 PolarHBondContact O-N 2.77Å; V695-Q697 PolarHBondContact O-N 3.11Å; V695-D698 HydrophobicContact CG1-CB 3.76Å; V695-D698 PolarHBondContact O-N 3.38Å; V695-W699 PolarHBondContact O-N 3.14Å; V695-W699 VanDerWaalsContact O-N 3.11Å
696W81.2Confident74.3Confident8 Ų839 Ų393%0.0321%0.207CC..Hα-helixtrans-58.6-30.5179.572.2-97.7000113.9I690 L691 M693 S694 W699 L700 F724 L727 V741I690-W696 HydrophobicContact CG2-CB 4.14Å; I690-W696 HydrophobicContact CG2-CD2 4.49Å; I690-W696 HydrophobicContact CG2-CG 4.34Å; L691-W696 HydrophobicContact CD2-CH2 4.45Å; L691-W696 HydrophobicContact CD2-CZ2 3.77Å; M693-W696 HydrophobicContact CB-CB 4.36Å; S694-W696 VanDerWaalsContact C-N 3.31Å; S694-W696 PolarHBondContact O-N 3.07Å; W696-W699 WeakPolarHBondContact O-CB 3.47Å; W696-W699 PolarHBondContact O-N 2.87Å; W696-L700 HydrophobicContact CE3-CD1 3.75Å; W696-L700 HydrophobicContact CE3-CG 4.36Å; W696-L700 HydrophobicContact CZ3-CD1 3.72Å; W696-L700 PolarHBondContact O-N 2.75Å; W696-F724 HydrophobicContact CE3-CE1 4.26Å; W696-F724 AromaticContact CH2-CD1 3.76Å; W696-F724 HydrophobicContact CH2-CD1 3.76Å; W696-F724 AromaticContact CH2-CE1 3.78Å; W696-F724 HydrophobicContact CH2-CE1 3.78Å; W696-F724 AromaticContact CZ3-CD1 3.54Å; W696-F724 HydrophobicContact CZ3-CD1 3.54Å; W696-F724 AromaticContact CZ3-CE1 3.39Å; W696-F724 HydrophobicContact CZ3-CE1 3.39Å; W696-F724 HydrophobicContact CZ3-CZ 4.39Å; W696-L727 HydrophobicContact CE3-CD1 3.82Å; W696-L727 HydrophobicContact CH2-CB 4.23Å; W696-L727 HydrophobicContact CH2-CD1 4.32Å; W696-L727 HydrophobicContact CZ3-CB 4.29Å; W696-L727 HydrophobicContact CZ3-CD1 3.59Å; W696-V741 HydrophobicContact CZ2-CG1 3.57Å
697Q83.2Confident74.5Confident18 Ų1844 Ų448%0.08422%0.224CC..Hα-helixtrans-64.9-46.2178.3-54.987.9-20.600111V695 W699 L700 I701 F724 T745 I748V695-Q697 PolarHBondContact O-N 3.11Å; Q697-W699 VanDerWaalsContact C-N 3.34Å; Q697-L700 PolarHBondContact O-N 3.49Å; Q697-I701 WeakPolarHBondContact O-CD1 3.43Å; Q697-I701 VanDerWaalsContact O-CG1 3.22Å; Q697-I701 WeakPolarHBondContact O-CG1 3.43Å; Q697-I701 PolarHBondContact O-N 3.09Å; Q697-F724 HydrophobicContact CB-CE1 4.12Å; Q697-F724 HydrophobicContact CB-CZ 4.3Å; Q697-F724 HydrophobicContact CG-CE1 4.28Å; Q697-T745 HydrophobicContact CG-CG2 4.44Å; Q697-T745 WeakPolarHBondContact CG-OG1 3.47Å; Q697-I748 HydrophobicContact CB-CD1 3.79Å; Q697-I748 HydrophobicContact CB-CG2 4.5Å; Q697-I748 HydrophobicContact CG-CD1 4.05Å
698D71.6Confident74.2Confident14 Ų1444.9 Ų44.98%0.07523%0.234CC..Hα-helixtrans-69.1-36.7176.5-174.381.2000111.3V695 L700 I701 S702 K752 L1172V695-D698 HydrophobicContact CG1-CB 3.76Å; V695-D698 PolarHBondContact O-N 3.38Å; D698-L700 VanDerWaalsContact C-N 3.34Å; D698-L700 PolarHBondContact O-N 3.39Å; D698-I701 CarbonylContact O-C 3.43Å; D698-I701 PolarHBondContact O-N 2.83Å; D698-I701 VanDerWaalsContact O-N 3.12Å; D698-S702 WeakPolarHBondContact O-CB 3.37Å; D698-S702 PolarHBondContact O-N 3.37Å; D698-K752 WeakPolarHBondContact OD1-CE 3.43Å; D698-K752 IonicContact OD1-NZ 3.29Å; D698-K752 PolarHBondContact OD1-NZ 3.16Å; D698-L1172 HydrophobicContact CB-CD1 3.91Å; D698-L1172 HydrophobicContact CB-CD2 4.26Å; D698-L1172 VanDerWaalsContact CG-CD1 3.48Å; D698-L1172 VanDerWaalsContact OD1-CD1 3.28Å; D698-L1172 WeakPolarHBondContact OD1-CD1 3.34Å; D698-L1172 WeakPolarHBondContact OD2-CD2 3.26Å
699W71.6Confident74Confident28 Ų2845.7 Ų45.711%0.10624%0.241CC..Hα-helixtrans-52.1-53.5172.7171.657.1000110.9L650 L674 V695 W696 Q697 I701 S702 L703L650-W699 HydrophobicContact CD1-CH2 4.34Å; L674-W699 HydrophobicContact CD2-CH2 3.77Å; L674-W699 HydrophobicContact CD2-CZ2 4.48Å; L674-W699 HydrophobicContact CD2-CZ3 4.44Å; V695-W699 PolarHBondContact O-N 3.14Å; V695-W699 VanDerWaalsContact O-N 3.11Å; W696-W699 WeakPolarHBondContact O-CB 3.47Å; W696-W699 PolarHBondContact O-N 2.87Å; Q697-W699 VanDerWaalsContact C-N 3.34Å; W699-I701 PolarHBondContact O-N 3.03Å; W699-S702 WeakPolarHBondContact O-CB 3.02Å; W699-S702 PolarHBondContact O-N 3.27Å; W699-S702 VanDerWaalsContact O-N 3.14Å; W699-S702 PolarHBondContact O-OG 2.97Å; W699-L703 HydrophobicContact CZ2-CD1 4.41Å; W699-L703 WeakPolarHBondContact O-CG 3.38Å; W699-L703 PolarHBondContact O-N 3.19Å
700L78.7Confident74.3Confident2 Ų246.1 Ų46.11%0.0124%0.244CC..Hα-helixtrans-61.9-39.2176.4-69.1-175.5000113.3W696 Q697 D698 S702 L703 V720 L723 F724 L727W696-L700 HydrophobicContact CE3-CD1 3.75Å; W696-L700 HydrophobicContact CE3-CG 4.36Å; W696-L700 HydrophobicContact CZ3-CD1 3.72Å; W696-L700 PolarHBondContact O-N 2.75Å; Q697-L700 PolarHBondContact O-N 3.49Å; D698-L700 VanDerWaalsContact C-N 3.34Å; D698-L700 PolarHBondContact O-N 3.39Å; L700-S702 VanDerWaalsContact C-N 3.31Å; L700-S702 PolarHBondContact O-N 3.43Å; L700-L703 HydrophobicContact CD2-CD1 4.08Å; L700-L703 WeakPolarHBondContact O-CB 3.4Å; L700-L703 PolarHBondContact O-N 3.39Å; L700-L703 VanDerWaalsContact O-N 3.16Å; L700-V720 HydrophobicContact CB-CG1 4.26Å; L700-L723 HydrophobicContact CD1-CB 4.24Å; L700-L723 HydrophobicContact CD2-CD1 4.11Å; L700-F724 HydrophobicContact CB-CE2 3.81Å; L700-F724 HydrophobicContact CB-CZ 3.86Å; L700-F724 HydrophobicContact CD1-CD1 4.39Å; L700-F724 HydrophobicContact CD1-CD2 4.38Å; L700-F724 HydrophobicContact CD1-CE1 4.27Å; L700-F724 HydrophobicContact CD1-CE2 4.26Å; L700-F724 HydrophobicContact CD1-CG 4.43Å; L700-F724 HydrophobicContact CD1-CZ 4.2Å; L700-L727 HydrophobicContact CD1-CD1 3.91Å
701I78.2Confident74.4Confident3 Ų351.3 Ų51.32%0.01528%0.277CS..Hα-helixtrans-67.7-32176.2-65.4158.6000111.2Q697 D698 W699 L703 T704 L706 F724 I748 I749 K752Q697-I701 WeakPolarHBondContact O-CD1 3.43Å; Q697-I701 VanDerWaalsContact O-CG1 3.22Å; Q697-I701 WeakPolarHBondContact O-CG1 3.43Å; Q697-I701 PolarHBondContact O-N 3.09Å; D698-I701 CarbonylContact O-C 3.43Å; D698-I701 PolarHBondContact O-N 2.83Å; D698-I701 VanDerWaalsContact O-N 3.12Å; W699-I701 PolarHBondContact O-N 3.03Å; I701-L703 PolarHBondContact O-N 2.69Å; I701-T704 PolarHBondContact O-N 2.84Å; I701-T704 VanDerWaalsContact O-N 3.13Å; I701-L706 HydrophobicContact CG2-CD1 4.26Å; I701-F724 HydrophobicContact CD1-CZ 4.19Å; I701-F724 HydrophobicContact CG1-CE2 3.99Å; I701-F724 HydrophobicContact CG1-CZ 3.89Å; I701-I748 HydrophobicContact CD1-CG2 3.72Å; I701-I749 HydrophobicContact CD1-CD1 4.42Å; I701-I749 HydrophobicContact CD1-CG1 3.58Å; I701-I749 HydrophobicContact CG1-CG1 4.35Å; I701-K752 HydrophobicContact CG2-CB 4.42Å; I701-K752 HydrophobicContact CG2-CD 4.39Å; I701-K752 HydrophobicContact CG2-CG 4.08Å
702S71.1Confident74Confident25 Ų2550.7 Ų50.718%0.17528%0.276CS..Hα-helixtrans-67.3-22.2174.586.20000112.2K665 D698 W699 L700 T704K665-S702 PolarHBondContact NZ-O 2.89Å; D698-S702 WeakPolarHBondContact O-CB 3.37Å; D698-S702 PolarHBondContact O-N 3.37Å; W699-S702 WeakPolarHBondContact O-CB 3.02Å; W699-S702 PolarHBondContact O-N 3.27Å; W699-S702 VanDerWaalsContact O-N 3.14Å; W699-S702 PolarHBondContact O-OG 2.97Å; L700-S702 VanDerWaalsContact C-N 3.31Å; L700-S702 PolarHBondContact O-N 3.43Å; S702-T704 VanDerWaalsContact C-N 3.26Å; S702-T704 PolarHBondContact O-N 3.39Å
703L72.4Confident74Confident2 Ų245.8 Ų45.81%0.0125%0.254CS..THydrogen-bonded Turntrans-72.1-17172.8-55.5-175.1000113L657 K665 M669 W699 L700 I701 I716 V720L657-L703 HydrophobicContact CB-CD2 3.58Å; L657-L703 HydrophobicContact CD1-CD1 4.4Å; L657-L703 HydrophobicContact CD1-CD2 4.17Å; K665-L703 HydrophobicContact CD-CB 4.3Å; K665-L703 HydrophobicContact CD-CD2 4.27Å; K665-L703 WeakPolarHBondContact CD-O 3.41Å; M669-L703 HydrophobicContact SD-CD1 4.08Å; W699-L703 HydrophobicContact CZ2-CD1 4.41Å; W699-L703 WeakPolarHBondContact O-CG 3.38Å; W699-L703 PolarHBondContact O-N 3.19Å; L700-L703 HydrophobicContact CD2-CD1 4.08Å; L700-L703 WeakPolarHBondContact O-CB 3.4Å; L700-L703 PolarHBondContact O-N 3.39Å; L700-L703 VanDerWaalsContact O-N 3.16Å; I701-L703 PolarHBondContact O-N 2.69Å; L703-I716 VanDerWaalsContact O-CG2 3.26Å; L703-I716 WeakPolarHBondContact O-CG2 3.43Å; L703-V720 HydrophobicContact CB-CG2 4.14Å
704T80Confident74.6Confident18 Ų1847.1 Ų47.111%0.1126%0.259CS..SBendtrans-133.3162.4-171.5-165.20000114.6I701 S702 L717 V720I701-T704 PolarHBondContact O-N 2.84Å; I701-T704 VanDerWaalsContact O-N 3.13Å; S702-T704 VanDerWaalsContact C-N 3.26Å; S702-T704 PolarHBondContact O-N 3.39Å; T704-L717 HydrophobicContact CG2-CD1 3.71Å; T704-L717 WeakPolarHBondContact OG1-CA 3.41Å; T704-L717 WeakPolarHBondContact OG1-CB 3.34Å; T704-L717 PolarHBondContact OG1-N 2.75Å; T704-V720 HydrophobicContact CG2-CB 4.12Å; T704-V720 HydrophobicContact CG2-CG1 3.9Å; T704-V720 HydrophobicContact CG2-CG2 4.2Å
705S73.6Confident75.2Confident35 Ų3543.7 Ų43.725%0.24524%0.235CC..  trans-98117.3165.4-1780000109R707 E713S705-R707 PolarHBondContact O-N 2.73Å; S705-R707 VanDerWaalsContact O-N 3.16Å; S705-R707 VanDerWaalsContact OG-C 3.23Å; S705-R707 PolarHBondContact OG-N 2.76Å; S705-R707 PolarHBondContact OG-O 3.24Å; S705-E713 WeakPolarHBondContact CB-OE2 3.49Å; S705-E713 PolarHBondContact OG-OE2 3.36Å
706L74.5Confident75.5Confident25 Ų2539.8 Ų39.813%0.13121%0.211CC..SBendtrans-65.2-12.8172.9-62.1169.7000112.6I701 L717 K752 V753 L756I701-L706 HydrophobicContact CG2-CD1 4.26Å; L706-L717 HydrophobicContact CD2-CD1 4.13Å; L706-K752 HydrophobicContact CD1-CB 3.6Å; L706-V753 HydrophobicContact CD1-CG2 4.11Å; L706-L756 HydrophobicContact CB-CD1 3.78Å; L706-L756 HydrophobicContact CD1-CD1 4.11Å; L706-L756 HydrophobicContact CG-CD1 4.43Å
707R73.6Confident75.6Confident120 Ų12040.2 Ų40.245%0.45321%0.214SC..SBendtrans-123.179.8168.4-75.3-173.9176.2159.4-1.1109S705 K709 L756S705-R707 PolarHBondContact O-N 2.73Å; S705-R707 VanDerWaalsContact O-N 3.16Å; S705-R707 VanDerWaalsContact OG-C 3.23Å; S705-R707 PolarHBondContact OG-N 2.76Å; S705-R707 PolarHBondContact OG-O 3.24Å; R707-K709 PolarHBondContact O-N 2.92Å; R707-L756 PolarHBondContact NH1-O 3.46Å
708P74.2Confident75.6Confident47 Ų4744.6 Ų44.631%0.30523%0.233SC..  trans-65.7119.6-17526.9-33.5000110.2E713 Q714 L717P708-E713 VanDerWaalsContact CA-OE2 3.3Å; P708-E713 WeakPolarHBondContact CA-OE2 3.28Å; P708-E713 HydrophobicContact CB-CB 3.51Å; P708-Q714 HydrophobicContact CB-CB 3.9Å; P708-Q714 VanDerWaalsContact CB-N 3.34Å; P708-Q714 HydrophobicContact CG-CB 4.09Å; P708-Q714 HydrophobicContact CG-CG 4.16Å; P708-L717 HydrophobicContact CG-CD2 3.91Å
709K72.9Confident76Confident144 Ų14445 Ų4563%0.62624%0.235SC*.SBendtrans-88.9-20175.6-62.3-178.2-1741730112.5R707 E713R707-K709 PolarHBondContact O-N 2.92Å; K709-E713 PolarHBondContact N-OE2 3.4Å
710S74.9Confident76.6Confident39 Ų3943.7 Ų43.727%0.27323%0.23SC..SBendtrans-120.7153.2-179.162.40000111A712 E713 Q714S710-A712 PolarHBondContact O-N 3.36Å; S710-E713 PolarHBondContact O-N 2.65Å; S710-E713 WeakPolarHBondContact OG-CB 3.39Å; S710-E713 VanDerWaalsContact OG-CG 3.31Å; S710-E713 WeakPolarHBondContact OG-CG 3.44Å; S710-E713 PolarHBondContact OG-N 3.17Å; S710-E713 VanDerWaalsContact OG-N 3.09Å; S710-E713 PolarHBondContact OG-OE1 3.48Å; S710-Q714 PolarHBondContact O-N 3.34Å
711P75.9Confident77Confident110 Ų11044.7 Ų44.771%0.71423%0.234SC*.Hα-helixtrans-59.9-27.717224.4-33.7000111.8Q714 S715P711-Q714 PolarHBondContact O-N 2.91Å; P711-S715 PolarHBondContact O-N 2.95Å
712A69.7Low77.2Confident16 Ų1648.5 Ų48.513%0.13225%0.251CS..Hα-helixtrans-60.5-58.1171.100000111.6K663 S710 Q714 S715 I716K663-A712 HydrophobicContact CB-CB 4.49Å; S710-A712 PolarHBondContact O-N 3.36Å; A712-Q714 PolarHBondContact O-N 3.11Å; A712-S715 PolarHBondContact O-N 3.27Å; A712-S715 PolarHBondContact O-OG 3.36Å; A712-I716 VanDerWaalsContact O-CG1 3.3Å; A712-I716 WeakPolarHBondContact O-CG1 3.39Å; A712-I716 PolarHBondContact O-N 3.2Å; A712-I716 VanDerWaalsContact O-N 3.1Å
713E75.7Confident77.8Confident39 Ų3947.3 Ų47.318%0.18224%0.243CC..Hα-helixtrans-53.1-39.1173.7-75.4166.8-140.400112.4A662 S705 P708 K709 S710 I716 L717A662-E713 HydrophobicContact CB-CB 4.44Å; A662-E713 HydrophobicContact CB-CG 3.32Å; S705-E713 WeakPolarHBondContact CB-OE2 3.49Å; S705-E713 PolarHBondContact OG-OE2 3.36Å; P708-E713 VanDerWaalsContact CA-OE2 3.3Å; P708-E713 WeakPolarHBondContact CA-OE2 3.28Å; P708-E713 HydrophobicContact CB-CB 3.51Å; K709-E713 PolarHBondContact N-OE2 3.4Å; S710-E713 PolarHBondContact O-N 2.65Å; S710-E713 WeakPolarHBondContact OG-CB 3.39Å; S710-E713 VanDerWaalsContact OG-CG 3.31Å; S710-E713 WeakPolarHBondContact OG-CG 3.44Å; S710-E713 PolarHBondContact OG-N 3.17Å; S710-E713 VanDerWaalsContact OG-N 3.09Å; S710-E713 PolarHBondContact OG-OE1 3.48Å; E713-I716 PolarHBondContact O-N 3.13Å; E713-L717 WeakPolarHBondContact O-CB 3.38Å; E713-L717 PolarHBondContact O-N 3.24Å
714Q80.9Confident78.6Confident102 Ų10247.2 Ų47.248%0.47724%0.243SC..Hα-helixtrans-67.6-36.4179.5-163.7-178.516.900112.6P708 S710 P711 A712 K718P708-Q714 HydrophobicContact CB-CB 3.9Å; P708-Q714 VanDerWaalsContact CB-N 3.34Å; P708-Q714 HydrophobicContact CG-CB 4.09Å; P708-Q714 HydrophobicContact CG-CG 4.16Å; S710-Q714 PolarHBondContact O-N 3.34Å; P711-Q714 PolarHBondContact O-N 2.91Å; A712-Q714 PolarHBondContact O-N 3.11Å; Q714-K718 WeakPolarHBondContact O-CG 3.25Å; Q714-K718 PolarHBondContact O-N 2.83Å; Q714-K718 VanDerWaalsContact O-N 3.14Å
715S75.9Confident79Confident39 Ų3947.3 Ų47.327%0.27324%0.244SC..Hα-helixtrans-68.2-39.7175.674.60000112.1Q666 P711 A712 K718 L719Q666-S715 WeakPolarHBondContact CG-OG 3.42Å; Q666-S715 PolarHBondContact NE2-OG 3.27Å; Q666-S715 VanDerWaalsContact NE2-OG 3.16Å; P711-S715 PolarHBondContact O-N 2.95Å; A712-S715 PolarHBondContact O-N 3.27Å; A712-S715 PolarHBondContact O-OG 3.36Å; S715-K718 WeakPolarHBondContact O-CB 3.49Å; S715-K718 PolarHBondContact O-N 2.85Å; S715-L719 PolarHBondContact O-N 3.4Å
716I75.1Confident79.6Confident2 Ų246.4 Ų46.41%0.0124%0.237CC..Hα-helixtrans-66.1-42.6176.1-59160.8000110.4A662 K665 Q666 M669 L703 A712 E713 K718 L719 V720A662-I716 VanDerWaalsContact CA-CD1 3.43Å; A662-I716 HydrophobicContact CB-CD1 3.61Å; A662-I716 WeakPolarHBondContact O-CD1 3.49Å; K665-I716 HydrophobicContact CB-CD1 4.3Å; Q666-I716 HydrophobicContact CB-CD1 3.93Å; Q666-I716 HydrophobicContact CB-CG1 3.65Å; Q666-I716 HydrophobicContact CG-CG1 4.33Å; M669-I716 HydrophobicContact CE-CG2 3.72Å; L703-I716 VanDerWaalsContact O-CG2 3.26Å; L703-I716 WeakPolarHBondContact O-CG2 3.43Å; A712-I716 VanDerWaalsContact O-CG1 3.3Å; A712-I716 WeakPolarHBondContact O-CG1 3.39Å; A712-I716 PolarHBondContact O-N 3.2Å; A712-I716 VanDerWaalsContact O-N 3.1Å; E713-I716 PolarHBondContact O-N 3.13Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 2.98Å; I716-L719 PolarHBondContact O-N 2.93Å; I716-V720 HydrophobicContact CG2-CG2 4.28Å; I716-V720 WeakPolarHBondContact O-CB 3.24Å; I716-V720 WeakPolarHBondContact O-CG2 3.32Å; I716-V720 PolarHBondContact O-N 2.91Å
717L84.6Confident80.4Confident16 Ų1645.2 Ų45.28%0.08423%0.231CC..Hα-helixtrans-59-42.5175.8-175.463.4000111.6T704 L706 P708 E713 V720 Y721T704-L717 HydrophobicContact CG2-CD1 3.71Å; T704-L717 WeakPolarHBondContact OG1-CA 3.41Å; T704-L717 WeakPolarHBondContact OG1-CB 3.34Å; T704-L717 PolarHBondContact OG1-N 2.75Å; L706-L717 HydrophobicContact CD2-CD1 4.13Å; P708-L717 HydrophobicContact CG-CD2 3.91Å; E713-L717 WeakPolarHBondContact O-CB 3.38Å; E713-L717 PolarHBondContact O-N 3.24Å; L717-V720 PolarHBondContact O-N 3.39Å; L717-Y721 HydrophobicContact CD1-CD2 4.34Å; L717-Y721 HydrophobicContact CD1-CE1 4.1Å; L717-Y721 HydrophobicContact CD1-CE2 3.72Å; L717-Y721 HydrophobicContact CD2-CE2 4Å; L717-Y721 HydrophobicContact CG-CD2 4.06Å; L717-Y721 HydrophobicContact CG-CE2 3.55Å; L717-Y721 WeakPolarHBondContact O-CD2 3.39Å; L717-Y721 PolarHBondContact O-N 3.1Å
718K83.1Confident81.3Confident111 Ų11139.6 Ų39.648%0.48321%0.21SC..Hα-helixtrans-61-46.5172.9-71.4174.3-179.8-1780111.8Q714 S715 I716 V720 Y721 Q722Q714-K718 WeakPolarHBondContact O-CG 3.25Å; Q714-K718 PolarHBondContact O-N 2.83Å; Q714-K718 VanDerWaalsContact O-N 3.14Å; S715-K718 WeakPolarHBondContact O-CB 3.49Å; S715-K718 PolarHBondContact O-N 2.85Å; I716-K718 VanDerWaalsContact C-N 3.3Å; I716-K718 PolarHBondContact O-N 2.98Å; K718-V720 PolarHBondContact O-N 2.92Å; K718-Y721 PolarHBondContact O-N 2.96Å; K718-Q722 WeakPolarHBondContact O-CG 3.45Å; K718-Q722 PolarHBondContact O-N 3.06Å
719L79.8Confident82.1Confident22 Ų2239.2 Ų39.212%0.11520%0.204CC..Hα-helixtrans-64.6-39179.1-165.6113.8000112M669 S715 I716 Q722 L723M669-L719 HydrophobicContact CB-CD2 3.81Å; M669-L719 HydrophobicContact CE-CD2 3.65Å; M669-L719 HydrophobicContact CG-CD2 4.22Å; M669-L719 HydrophobicContact SD-CD2 3.47Å; M669-L719 WeakPolarHBondContact SD-CD2 3.37Å; S715-L719 PolarHBondContact O-N 3.4Å; I716-L719 PolarHBondContact O-N 2.93Å; L719-Q722 WeakPolarHBondContact O-CB 3.4Å; L719-Q722 PolarHBondContact O-N 3.07Å; L719-L723 HydrophobicContact CD2-CD1 4.04Å; L719-L723 VanDerWaalsContact O-CG 3.26Å; L719-L723 WeakPolarHBondContact O-CG 3.4Å; L719-L723 PolarHBondContact O-N 2.82Å
720V83.7Confident83Confident1 Ų132.7 Ų32.71%0.00618%0.175CC..Hα-helixtrans-65.6-40.7174.7166.50000111.5L700 L703 T704 I716 L717 K718 L723 F724L700-V720 HydrophobicContact CB-CG1 4.26Å; L703-V720 HydrophobicContact CB-CG2 4.14Å; T704-V720 HydrophobicContact CG2-CB 4.12Å; T704-V720 HydrophobicContact CG2-CG1 3.9Å; T704-V720 HydrophobicContact CG2-CG2 4.2Å; I716-V720 HydrophobicContact CG2-CG2 4.28Å; I716-V720 WeakPolarHBondContact O-CB 3.24Å; I716-V720 WeakPolarHBondContact O-CG2 3.32Å; I716-V720 PolarHBondContact O-N 2.91Å; L717-V720 PolarHBondContact O-N 3.39Å; K718-V720 PolarHBondContact O-N 2.92Å; V720-L723 WeakPolarHBondContact O-CB 3.29Å; V720-L723 PolarHBondContact O-N 3.35Å; V720-F724 HydrophobicContact CG1-CD2 3.74Å; V720-F724 HydrophobicContact CG1-CE2 3.67Å; V720-F724 VanDerWaalsContact O-CD2 3.25Å; V720-F724 WeakPolarHBondContact O-CD2 3.17Å; V720-F724 PolarHBondContact O-N 3.28Å
721Y86.5Confident83.8Confident22 Ų2230.8 Ų30.89%0.08616%0.162CC..Hα-helixtrans-65.5-37.4172.5-68.3-35.7000112.7L717 K718 F724 S725 A782 T785 L786L717-Y721 HydrophobicContact CD1-CD2 4.34Å; L717-Y721 HydrophobicContact CD1-CE1 4.1Å; L717-Y721 HydrophobicContact CD1-CE2 3.72Å; L717-Y721 HydrophobicContact CD2-CE2 4Å; L717-Y721 HydrophobicContact CG-CD2 4.06Å; L717-Y721 HydrophobicContact CG-CE2 3.55Å; L717-Y721 WeakPolarHBondContact O-CD2 3.39Å; L717-Y721 PolarHBondContact O-N 3.1Å; K718-Y721 PolarHBondContact O-N 2.96Å; Y721-F724 PolarHBondContact O-N 3.25Å; Y721-S725 WeakPolarHBondContact O-CB 3.49Å; Y721-S725 PolarHBondContact O-N 3.3Å; Y721-A782 HydrophobicContact CE1-CB 4.35Å; Y721-A782 WeakPolarHBondContact OH-CA 3.4Å; Y721-A782 WeakPolarHBondContact OH-CB 3.37Å; Y721-T785 HydrophobicContact CD2-CG2 3.64Å; Y721-T785 HydrophobicContact CE2-CG2 4.09Å; Y721-T785 HydrophobicContact CG-CG2 3.9Å; Y721-L786 HydrophobicContact CD1-CD2 3.69Å; Y721-L786 HydrophobicContact CD1-CG 4.16Å; Y721-L786 HydrophobicContact CE1-CD2 4.44Å; Y721-L786 HydrophobicContact CE1-CG 4.44Å; Y721-L786 HydrophobicContact CG-CD2 4.36Å
722Q82.6Confident84.7Confident83 Ų8325.6 Ų25.639%0.38813%0.129SC..Hα-helixtrans-61-43.2171.7-75.2175.3-30.600112.1Y675 K718 L719 S725 T726Y675-Q722 HydrophobicContact CD2-CB 3.85Å; Y675-Q722 HydrophobicContact CE2-CB 3.66Å; Y675-Q722 HydrophobicContact CE2-CG 4.36Å; K718-Q722 WeakPolarHBondContact O-CG 3.45Å; K718-Q722 PolarHBondContact O-N 3.06Å; L719-Q722 WeakPolarHBondContact O-CB 3.4Å; L719-Q722 PolarHBondContact O-N 3.07Å; Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 2.94Å; Q722-T726 PolarHBondContact O-N 3.4Å; Q722-T726 PolarHBondContact O-OG1 3.08Å; Q722-T726 VanDerWaalsContact O-OG1 3.07Å
723L85Confident85.7Confident0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-61.6-45.4174.5-71168.1000112.2L674 L678 L700 L719 V720 T726 L727L674-L723 HydrophobicContact CB-CD2 4.28Å; L674-L723 HydrophobicContact CD2-CD1 3.84Å; L674-L723 HydrophobicContact CD2-CD2 4.28Å; L674-L723 HydrophobicContact CG-CD1 4.19Å; L674-L723 HydrophobicContact CG-CD2 3.82Å; L678-L723 HydrophobicContact CD1-CD2 3.64Å; L700-L723 HydrophobicContact CD1-CB 4.24Å; L700-L723 HydrophobicContact CD2-CD1 4.11Å; L719-L723 HydrophobicContact CD2-CD1 4.04Å; L719-L723 VanDerWaalsContact O-CG 3.26Å; L719-L723 WeakPolarHBondContact O-CG 3.4Å; L719-L723 PolarHBondContact O-N 2.82Å; V720-L723 WeakPolarHBondContact O-CB 3.29Å; V720-L723 PolarHBondContact O-N 3.35Å; L723-T726 PolarHBondContact O-N 3.41Å; L723-L727 WeakPolarHBondContact O-CB 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.4Å; L723-L727 PolarHBondContact O-N 3.05Å
724F89.3Confident86.4Confident1 Ų129 Ų290%0.00414%0.141CC..Hα-helixtrans-59.7-46.6172.7-87.3-67.5000111.7W696 Q697 L700 I701 V720 Y721 T726 L727 L728 T745 L786W696-F724 HydrophobicContact CE3-CE1 4.26Å; W696-F724 AromaticContact CH2-CD1 3.76Å; W696-F724 HydrophobicContact CH2-CD1 3.76Å; W696-F724 AromaticContact CH2-CE1 3.78Å; W696-F724 HydrophobicContact CH2-CE1 3.78Å; W696-F724 AromaticContact CZ3-CD1 3.54Å; W696-F724 HydrophobicContact CZ3-CD1 3.54Å; W696-F724 AromaticContact CZ3-CE1 3.39Å; W696-F724 HydrophobicContact CZ3-CE1 3.39Å; W696-F724 HydrophobicContact CZ3-CZ 4.39Å; Q697-F724 HydrophobicContact CB-CE1 4.12Å; Q697-F724 HydrophobicContact CB-CZ 4.3Å; Q697-F724 HydrophobicContact CG-CE1 4.28Å; L700-F724 HydrophobicContact CB-CE2 3.81Å; L700-F724 HydrophobicContact CB-CZ 3.86Å; L700-F724 HydrophobicContact CD1-CD1 4.39Å; L700-F724 HydrophobicContact CD1-CD2 4.38Å; L700-F724 HydrophobicContact CD1-CE1 4.27Å; L700-F724 HydrophobicContact CD1-CE2 4.26Å; L700-F724 HydrophobicContact CD1-CG 4.43Å; L700-F724 HydrophobicContact CD1-CZ 4.2Å; I701-F724 HydrophobicContact CD1-CZ 4.19Å; I701-F724 HydrophobicContact CG1-CE2 3.99Å; I701-F724 HydrophobicContact CG1-CZ 3.89Å; V720-F724 HydrophobicContact CG1-CD2 3.74Å; V720-F724 HydrophobicContact CG1-CE2 3.67Å; V720-F724 VanDerWaalsContact O-CD2 3.25Å; V720-F724 WeakPolarHBondContact O-CD2 3.17Å; V720-F724 PolarHBondContact O-N 3.28Å; Y721-F724 PolarHBondContact O-N 3.25Å; F724-T726 PolarHBondContact O-N 2.93Å; F724-L727 PolarHBondContact O-N 3.26Å; F724-L728 HydrophobicContact CB-CD1 4.38Å; F724-L728 VanDerWaalsContact O-CB 3.22Å; F724-L728 WeakPolarHBondContact O-CB 3.43Å; F724-L728 WeakPolarHBondContact O-CG 3.26Å; F724-L728 PolarHBondContact O-N 3.12Å; F724-T745 HydrophobicContact CD1-CG2 3.67Å; F724-T745 HydrophobicContact CE1-CG2 3.47Å; F724-T745 VanDerWaalsContact CE1-CG2 3.47Å; F724-T745 HydrophobicContact CZ-CG2 4.32Å; F724-L786 HydrophobicContact CB-CD1 4.41Å; F724-L786 HydrophobicContact CB-CD2 3.44Å; F724-L786 VanDerWaalsContact CB-CD2 3.44Å; F724-L786 HydrophobicContact CD2-CD2 4.41Å; F724-L786 HydrophobicContact CG-CD1 4.3Å; F724-L786 HydrophobicContact CG-CD2 4.08Å
725S88.2Confident86.8Confident20 Ų2025.6 Ų25.614%0.1413%0.126CC..Hα-helixtrans-56.5-48.1177.1173.10000111.4Y721 Q722 L727 H729Y721-S725 WeakPolarHBondContact O-CB 3.49Å; Y721-S725 PolarHBondContact O-N 3.3Å; Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 2.94Å; S725-L727 PolarHBondContact O-N 3.25Å; S725-H729 WeakPolarHBondContact O-CB 3.38Å; S725-H729 PolarHBondContact O-N 2.93Å
726T86.6Confident87.3Confident15 Ų1532.2 Ų32.29%0.09215%0.15CC..Hα-helixtrans-63.1-41.5178.6-58.30000113.2L678 V679 Q722 L723 F724 H730L678-T726 HydrophobicContact CB-CG2 4.19Å; L678-T726 WeakPolarHBondContact O-CG2 3.49Å; V679-T726 HydrophobicContact CG2-CG2 4.45Å; Q722-T726 PolarHBondContact O-N 3.4Å; Q722-T726 PolarHBondContact O-OG1 3.08Å; Q722-T726 VanDerWaalsContact O-OG1 3.07Å; L723-T726 PolarHBondContact O-N 3.41Å; F724-T726 PolarHBondContact O-N 2.93Å; T726-H730 PolarHBondContact O-N 2.94Å; T726-H730 VanDerWaalsContact O-N 3.1Å
727L89.4Confident87.7Confident1 Ų132.6 Ų32.61%0.00515%0.154CC..Hα-helixtrans-73.6-41179.4-70.4169.4000112.4L678 R687 I690 L691 W696 L700 L723 F724 S725 H730 A731L678-L727 HydrophobicContact CD2-CD2 4.39Å; R687-L727 HydrophobicContact CB-CD2 4.15Å; R687-L727 HydrophobicContact CG-CD2 4.36Å; I690-L727 HydrophobicContact CB-CD2 4.12Å; I690-L727 HydrophobicContact CG2-CD1 3.83Å; I690-L727 HydrophobicContact CG2-CD2 4.04Å; L691-L727 HydrophobicContact CD2-CB 4.32Å; L691-L727 HydrophobicContact CG-CD2 4.42Å; W696-L727 HydrophobicContact CE3-CD1 3.82Å; W696-L727 HydrophobicContact CH2-CB 4.23Å; W696-L727 HydrophobicContact CH2-CD1 4.32Å; W696-L727 HydrophobicContact CZ3-CB 4.29Å; W696-L727 HydrophobicContact CZ3-CD1 3.59Å; L700-L727 HydrophobicContact CD1-CD1 3.91Å; L723-L727 WeakPolarHBondContact O-CB 3.28Å; L723-L727 WeakPolarHBondContact O-CG 3.4Å; L723-L727 PolarHBondContact O-N 3.05Å; F724-L727 PolarHBondContact O-N 3.26Å; S725-L727 PolarHBondContact O-N 3.25Å; L727-H730 PolarHBondContact O-N 3.48Å; L727-A731 WeakPolarHBondContact O-CB 3.4Å; L727-A731 PolarHBondContact O-N 3.22Å
728L92.4Very high87.8Confident1 Ų131.9 Ų31.91%0.00515%0.15CC..Hα-helixtrans-68.8-38.4176.7-67.2171.3000111.2F724 A731 I732 V741 W742 T745 L790F724-L728 HydrophobicContact CB-CD1 4.38Å; F724-L728 VanDerWaalsContact O-CB 3.22Å; F724-L728 WeakPolarHBondContact O-CB 3.43Å; F724-L728 WeakPolarHBondContact O-CG 3.26Å; F724-L728 PolarHBondContact O-N 3.12Å; L728-A731 PolarHBondContact O-N 3.24Å; L728-I732 WeakPolarHBondContact O-CG1 3.45Å; L728-I732 PolarHBondContact O-N 3.05Å; L728-V741 HydrophobicContact CD2-CG1 4.28Å; L728-W742 HydrophobicContact CD2-CB 4Å; L728-T745 HydrophobicContact CD1-CG2 4.48Å; L728-L790 HydrophobicContact CB-CD1 4.04Å
729H92.2Very high87.9Confident39 Ų3927.7 Ų27.718%0.18113%0.132CC..Hα-helixtrans-61.2-47.7172.3177.8-138.8000111.5S725 A731 I732 R733 S793 D797S725-H729 WeakPolarHBondContact O-CB 3.38Å; S725-H729 PolarHBondContact O-N 2.93Å; H729-A731 VanDerWaalsContact C-N 3.35Å; H729-A731 PolarHBondContact O-N 3.03Å; H729-I732 PolarHBondContact O-N 2.86Å; H729-R733 WeakPolarHBondContact O-CB 3.47Å; H729-R733 PolarHBondContact O-N 3.33Å; H729-S793 VanDerWaalsContact CD2-CB 3.46Å; H729-S793 WeakPolarHBondContact CD2-CB 3.5Å; H729-D797 IonicContact CD2-OD2 2.65Å; H729-D797 IonicContact CE1-OD1 2.8Å; H729-D797 IonicContact CE1-OD2 2.81Å; H729-D797 IonicContact NE2-OD1 2.74Å; H729-D797 IonicContact NE2-OD2 3.19Å; H729-D797 PolarHBondContact NE2-OD2 3.45Å
730H91.1Very high88.2Confident7 Ų731.3 Ų31.33%0.03214%0.144CC..Hα-helixtrans-57.3-47.2173.8177.9103.6000111.7K684 R687 L691 T726 L727 I732 R733 L734 E735K684-H730 PolarHBondContact O-CE1 3.12Å; K684-H730 VanDerWaalsContact O-CE1 3.24Å; R687-H730 HydrophobicContact CB-CB 4.1Å; L691-H730 VanDerWaalsContact CD1-CD2 3.47Å; L691-H730 WeakPolarHBondContact CD1-CD2 3.43Å; T726-H730 PolarHBondContact O-N 2.94Å; T726-H730 VanDerWaalsContact O-N 3.1Å; L727-H730 PolarHBondContact O-N 3.48Å; H730-I732 PolarHBondContact O-N 3.39Å; H730-R733 PolarHBondContact O-N 3.37Å; H730-L734 PolarHBondContact O-N 3.02Å; H730-E735 IonicContact CD2-OE1 3.98Å; H730-E735 IonicContact CE1-OE1 3.18Å; H730-E735 IonicContact NE2-OE1 2.76Å; H730-E735 PolarHBondContact NE2-OE1 2.88Å
731A92Very high88.4Confident0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-58.1-48.8178.900000111.6L691 L727 L728 H729 E735 V741 N824L691-A731 HydrophobicContact CD1-CB 3.98Å; L691-A731 HydrophobicContact CD2-CB 4.3Å; L727-A731 WeakPolarHBondContact O-CB 3.4Å; L727-A731 PolarHBondContact O-N 3.22Å; L728-A731 PolarHBondContact O-N 3.24Å; H729-A731 VanDerWaalsContact C-N 3.35Å; H729-A731 PolarHBondContact O-N 3.03Å; A731-E735 PolarHBondContact O-N 3.46Å; A731-E735 VanDerWaalsContact O-N 3.13Å; A731-V741 HydrophobicContact CB-CB 4.4Å; A731-N824 PolarHBondContact O-ND2 3.03Å
732I94.1Very high88.5Confident1 Ų132.4 Ų32.41%0.00515%0.151CC..Hα-helixtrans-63.9-41.4175.8-65.2-57.1000111.4L728 H729 H730 W739 L790 I794 F821 N824 V828L728-I732 WeakPolarHBondContact O-CG1 3.45Å; L728-I732 PolarHBondContact O-N 3.05Å; H729-I732 PolarHBondContact O-N 2.86Å; H730-I732 PolarHBondContact O-N 3.39Å; I732-W739 HydrophobicContact CD1-CB 4.25Å; I732-L790 HydrophobicContact CG1-CD1 3.92Å; I732-L790 HydrophobicContact CG1-CD2 4.24Å; I732-I794 HydrophobicContact CG2-CD1 4.23Å; I732-I794 HydrophobicContact CG2-CG1 4.31Å; I732-F821 HydrophobicContact CG2-CD2 4.14Å; I732-F821 HydrophobicContact CG2-CE2 4.48Å; I732-F821 WeakPolarHBondContact O-CA 3.5Å; I732-N824 HydrophobicContact CB-CB 4.36Å; I732-N824 HydrophobicContact CD1-CB 3.88Å; I732-N824 HydrophobicContact CG2-CB 3.92Å; I732-N824 WeakPolarHBondContact O-CB 3.5Å; I732-N824 PolarHBondContact O-ND2 2.73Å; I732-V828 HydrophobicContact CD1-CG2 3.57Å; I732-V828 HydrophobicContact CG1-CG2 4.39Å
733R91.5Very high88.6Confident52 Ų5228.7 Ų28.720%0.19613%0.134CC..Hα-helixtrans-75.2-32.2-172.7-176.262.1-171.593.1-11.3115.1H729 H730 N818 F821H729-R733 WeakPolarHBondContact O-CB 3.47Å; H729-R733 PolarHBondContact O-N 3.33Å; H730-R733 PolarHBondContact O-N 3.37Å; R733-N818 PolarHBondContact NH1-OD1 3.08Å; R733-N818 PolarHBondContact NH2-OD1 2.77Å; R733-F821 HydrophobicContact CB-CD2 4.27Å
734L89.9Confident88.6Confident73 Ų7331.6 Ų31.638%0.38215%0.15SC..Hα-helixtrans-133.2-25.8-166.8-62.5176.9000115.3K684 H730K684-L734 HydrophobicContact CD-CD1 4.19Å; K684-L734 HydrophobicContact CG-CD1 4.38Å; H730-L734 PolarHBondContact O-N 3.02Å
735E89.7Confident88.5Confident32 Ų3231.5 Ų31.515%0.1515%0.149CC..SBendtrans-97.4128.2-174.9-54.2-60.7153.700111.8R688 L691 H730 A731 G737 G738 V820 N824R688-E735 VanDerWaalsContact CD-OE1 3.24Å; R688-E735 WeakPolarHBondContact CD-OE1 3.46Å; R688-E735 VanDerWaalsContact CG-OE1 3.23Å; R688-E735 WeakPolarHBondContact CG-OE1 3.33Å; R688-E735 IonicContact CZ-OE2 3.52Å; R688-E735 IonicContact NE-OE1 3.7Å; R688-E735 PolarHBondContact NE-OE1 3.17Å; R688-E735 IonicContact NE-OE2 3.6Å; R688-E735 PolarHBondContact NE-OE2 3.24Å; R688-E735 IonicContact NH2-OE2 3.99Å; R688-E735 PolarHBondContact NH2-OE2 3.36Å; L691-E735 HydrophobicContact CD1-CG 4.23Å; H730-E735 IonicContact CD2-OE1 3.98Å; H730-E735 IonicContact CE1-OE1 3.18Å; H730-E735 IonicContact NE2-OE1 2.76Å; H730-E735 PolarHBondContact NE2-OE1 2.88Å; A731-E735 PolarHBondContact O-N 3.46Å; A731-E735 VanDerWaalsContact O-N 3.13Å; E735-G737 PolarHBondContact O-N 3.06Å; E735-G738 PolarHBondContact O-N 3.04Å; E735-V820 WeakPolarHBondContact O-CG1 3.49Å; E735-N824 PolarHBondContact O-ND2 3.43Å
736F85.7Confident88.4Confident177 Ų17730.7 Ų30.778%0.77614%0.143SC*.THydrogen-bonded Turntrans-61.2124.3176.1-177.4-93.2000110.8G738F736-G738 VanDerWaalsContact C-N 3.33Å
737G83.5Confident88.2Confident10 Ų1030 Ų3010%0.10314%0.139CC..THydrogen-bonded Turntrans76.314.7-176.500000114.7E735 W739 R740 N824E735-G737 PolarHBondContact O-N 3.06Å; G737-W739 PolarHBondContact O-N 3Å; G737-R740 WeakPolarHBondContact O-CB 3.4Å; G737-R740 WeakPolarHBondContact O-CG 3.39Å; G737-R740 PolarHBondContact O-N 2.86Å; G737-N824 PolarHBondContact N-OD1 3.3Å
738G87.5Confident87.8Confident1 Ų130.9 Ų30.91%0.0114%0.143CC..Hα-helixtrans-55.1-18.6179.800000115.3E735 F736 R740 V741 N824E735-G738 PolarHBondContact O-N 3.04Å; F736-G738 VanDerWaalsContact C-N 3.33Å; G738-R740 PolarHBondContact O-N 3.2Å; G738-V741 WeakPolarHBondContact O-CB 3.33Å; G738-V741 PolarHBondContact O-N 2.95Å; G738-N824 PolarHBondContact N-OD1 3.42Å; G738-N824 VanDerWaalsContact N-OD1 3.13Å
739W86.1Confident87.4Confident23 Ų2330.9 Ų30.99%0.08714%0.143CC..Hα-helixtrans-59.1-30.6169.967.1-97000113.6I732 G737 W742 I743 H827 V828 E900I732-W739 HydrophobicContact CD1-CB 4.25Å; G737-W739 PolarHBondContact O-N 3Å; W739-W742 WeakPolarHBondContact O-CB 3.47Å; W739-W742 PolarHBondContact O-N 3.41Å; W739-I743 HydrophobicContact CE3-CD1 3.54Å; W739-I743 HydrophobicContact CE3-CG1 4.33Å; W739-I743 HydrophobicContact CZ3-CD1 3.46Å; W739-I743 VanDerWaalsContact CZ3-CD1 3.46Å; W739-I743 PolarHBondContact O-N 3.49Å; W739-H827 HydrophobicContact CB-CB 3.55Å; W739-H827 AromaticContact CD1-CD2 3.27Å; W739-H827 AromaticContact CD1-CE1 3.91Å; W739-H827 AromaticContact CD1-CG 3.43Å; W739-H827 VanDerWaalsContact CD1-CG 3.43Å; W739-H827 AromaticContact CD1-ND1 3.83Å; W739-H827 AromaticContact CD1-NE2 3.58Å; W739-H827 HydrophobicContact CD2-CB 3.93Å; W739-H827 AromaticContact CD2-CE1 3.95Å; W739-H827 AromaticContact CD2-CG 3.73Å; W739-H827 AromaticContact CD2-ND1 3.51Å; W739-H827 AromaticContact CE2-CD2 3.97Å; W739-H827 AromaticContact CE2-CE1 3.23Å; W739-H827 AromaticContact CE2-CG 3.77Å; W739-H827 AromaticContact CE2-ND1 3.3Å; W739-H827 VanDerWaalsContact CE2-ND1 3.3Å; W739-H827 AromaticContact CE2-NE2 3.63Å; W739-H827 HydrophobicContact CG-CB 3.48Å; W739-H827 VanDerWaalsContact CG-CB 3.48Å; W739-H827 AromaticContact CG-CD2 3.88Å; W739-H827 AromaticContact CG-CG 3.55Å; W739-H827 AromaticContact CG-ND1 3.88Å; W739-H827 AromaticContact CZ2-CE1 3.4Å; W739-H827 VanDerWaalsContact CZ2-CE1 3.4Å; W739-H827 WeakPolarHBondContact CZ2-CE1 3.32Å; W739-H827 AromaticContact CZ2-ND1 3.67Å; W739-H827 AromaticContact NE1-CD2 3.31Å; W739-H827 PolarHBondContact NE1-CD2 2.93Å; W739-H827 VanDerWaalsContact NE1-CD2 3.31Å; W739-H827 AromaticContact NE1-CE1 3.19Å; W739-H827 PolarHBondContact NE1-CE1 3.48Å; W739-H827 AromaticContact NE1-CG 3.55Å; W739-H827 AromaticContact NE1-ND1 3.48Å; W739-H827 PolarHBondContact NE1-ND1 3.02Å; W739-H827 AromaticContact NE1-NE2 3.05Å; W739-H827 PolarHBondContact NE1-NE2 3.23Å; W739-V828 HydrophobicContact CB-CG2 4.37Å; W739-E900 HydrophobicContact CZ2-CG 4.1Å; W739-E900 WeakPolarHBondContact CZ2-OE2 3.22Å
740R85.9Confident87Confident99 Ų9929 Ų2937%0.37414%0.135SC..Hα-helixtrans-64.1-43.9176.8-68.1173.5157.291.6-7.7111.5G737 G738 W742 I743 D744 E900G737-R740 WeakPolarHBondContact O-CB 3.4Å; G737-R740 WeakPolarHBondContact O-CG 3.39Å; G737-R740 PolarHBondContact O-N 2.86Å; G738-R740 PolarHBondContact O-N 3.2Å; R740-W742 PolarHBondContact O-N 2.94Å; R740-I743 WeakPolarHBondContact O-CA 3.35Å; R740-I743 WeakPolarHBondContact O-CB 3.46Å; R740-I743 PolarHBondContact O-N 3.42Å; R740-D744 PolarHBondContact O-N 2.8Å; R740-E900 IonicContact CZ-OE1 2.73Å; R740-E900 VanDerWaalsContact NH1-CD 3.32Å; R740-E900 IonicContact NH1-OE1 2.88Å; R740-E900 PolarHBondContact NH1-OE1 3.36Å; R740-E900 IonicContact NH1-OE2 2.73Å; R740-E900 PolarHBondContact NH1-OE2 3.35Å; R740-E900 VanDerWaalsContact NH2-CD 3.29Å; R740-E900 IonicContact NH2-OE1 3.25Å; R740-E900 PolarHBondContact NH2-OE1 3.46Å
741V87.9Confident86.4Confident33 Ų3328.8 Ų28.820%0.213%0.134CC..Hα-helixtrans-56.2-39.4177.7-178.10000111.1L691 W696 L728 A731 G738 T745L691-V741 HydrophobicContact CD2-CG1 3.85Å; W696-V741 HydrophobicContact CZ2-CG1 3.57Å; L728-V741 HydrophobicContact CD2-CG1 4.28Å; A731-V741 HydrophobicContact CB-CB 4.4Å; G738-V741 WeakPolarHBondContact O-CB 3.33Å; G738-V741 PolarHBondContact O-N 2.95Å; V741-T745 WeakPolarHBondContact O-CB 3.32Å; V741-T745 PolarHBondContact O-N 2.9Å; V741-T745 PolarHBondContact O-OG1 3.46Å
742W88.9Confident85.6Confident12 Ų1229.1 Ų29.15%0.04514%0.135CC..Hα-helixtrans-65.8-44.9173.8169.574.2000112.3L728 W739 R740 T745 M746 L787 L790 V828 Q831 S832L728-W742 HydrophobicContact CD2-CB 4Å; W739-W742 WeakPolarHBondContact O-CB 3.47Å; W739-W742 PolarHBondContact O-N 3.41Å; R740-W742 PolarHBondContact O-N 2.94Å; W742-T745 WeakPolarHBondContact O-CB 3.25Å; W742-T745 PolarHBondContact O-N 2.82Å; W742-M746 HydrophobicContact CD2-CG 4.4Å; W742-M746 HydrophobicContact CZ2-CE 4.28Å; W742-M746 HydrophobicContact CZ2-CG 4.16Å; W742-M746 VanDerWaalsContact O-CG 3.25Å; W742-M746 WeakPolarHBondContact O-CG 3.4Å; W742-M746 PolarHBondContact O-N 3.39Å; W742-L787 HydrophobicContact CZ2-CD1 3.94Å; W742-L790 HydrophobicContact CB-CD2 4.44Å; W742-L790 HydrophobicContact CG-CD2 3.93Å; W742-V828 HydrophobicContact CD2-CG2 4.49Å; W742-V828 HydrophobicContact CE3-CG2 4.21Å; W742-Q831 HydrophobicContact CH2-CB 4.39Å; W742-Q831 HydrophobicContact CH2-CG 4.43Å; W742-Q831 HydrophobicContact CZ3-CB 3.89Å; W742-Q831 HydrophobicContact CZ3-CG 3.91Å; W742-S832 WeakPolarHBondContact CH2-OG 3.3Å
743I84.7Confident84.8Confident5 Ų530.6 Ų30.63%0.02614%0.144CC..Hα-helixtrans-60.3-47.4176.6-66.4-176.8000111.6W739 R740 T745 M746 A747 Q831 L1161W739-I743 HydrophobicContact CE3-CD1 3.54Å; W739-I743 HydrophobicContact CE3-CG1 4.33Å; W739-I743 HydrophobicContact CZ3-CD1 3.46Å; W739-I743 VanDerWaalsContact CZ3-CD1 3.46Å; W739-I743 PolarHBondContact O-N 3.49Å; R740-I743 WeakPolarHBondContact O-CA 3.35Å; R740-I743 WeakPolarHBondContact O-CB 3.46Å; R740-I743 PolarHBondContact O-N 3.42Å; I743-T745 VanDerWaalsContact C-N 3.29Å; I743-T745 PolarHBondContact O-N 2.96Å; I743-M746 WeakPolarHBondContact O-CB 3.21Å; I743-M746 PolarHBondContact O-N 2.83Å; I743-M746 VanDerWaalsContact O-N 3.13Å; I743-A747 PolarHBondContact O-N 3.37Å; I743-Q831 HydrophobicContact CD1-CG 3.81Å; I743-Q831 HydrophobicContact CG1-CG 4.33Å; I743-L1161 HydrophobicContact CG2-CD2 3.78Å; I743-L1161 WeakPolarHBondContact O-CD2 3.2Å
744D83.4Confident83.9Confident61 Ų6128.9 Ų28.933%0.32614%0.139SC..Hα-helixtrans-61.1-40.7178.5-67.2-26000111.2R740 M746 A747 I748R740-D744 PolarHBondContact O-N 2.8Å; D744-M746 VanDerWaalsContact C-N 3.35Å; D744-M746 PolarHBondContact O-N 2.89Å; D744-A747 PolarHBondContact O-N 2.92Å; D744-I748 VanDerWaalsContact O-CG1 3.31Å; D744-I748 WeakPolarHBondContact O-CG1 3.33Å; D744-I748 PolarHBondContact O-N 3.16Å
745T87.8Confident82.8Confident0 Ų027 Ų270%013%0.128CC..Hα-helixtrans-60-44.2174.6-58.70000111.5Q697 F724 L728 V741 W742 I743 I748 I749 L786Q697-T745 HydrophobicContact CG-CG2 4.44Å; Q697-T745 WeakPolarHBondContact CG-OG1 3.47Å; F724-T745 HydrophobicContact CD1-CG2 3.67Å; F724-T745 HydrophobicContact CE1-CG2 3.47Å; F724-T745 VanDerWaalsContact CE1-CG2 3.47Å; F724-T745 HydrophobicContact CZ-CG2 4.32Å; L728-T745 HydrophobicContact CD1-CG2 4.48Å; V741-T745 WeakPolarHBondContact O-CB 3.32Å; V741-T745 PolarHBondContact O-N 2.9Å; V741-T745 PolarHBondContact O-OG1 3.46Å; W742-T745 WeakPolarHBondContact O-CB 3.25Å; W742-T745 PolarHBondContact O-N 2.82Å; I743-T745 VanDerWaalsContact C-N 3.29Å; I743-T745 PolarHBondContact O-N 2.96Å; T745-I748 PolarHBondContact O-N 3.29Å; T745-I749 HydrophobicContact CG2-CD1 3.9Å; T745-I749 WeakPolarHBondContact O-CB 3.37Å; T745-I749 WeakPolarHBondContact O-CG1 3.28Å; T745-I749 PolarHBondContact O-N 2.78Å; T745-L786 HydrophobicContact CG2-CD1 3.97Å
746M85.7Confident81.6Confident3 Ų327.1 Ų27.12%0.01513%0.129CC..Hα-helixtrans-65.4-37.3177.1-66.1-70.1-81.500112W742 I743 D744 H750 W779 H783 L1161W742-M746 HydrophobicContact CD2-CG 4.4Å; W742-M746 HydrophobicContact CZ2-CE 4.28Å; W742-M746 HydrophobicContact CZ2-CG 4.16Å; W742-M746 VanDerWaalsContact O-CG 3.25Å; W742-M746 WeakPolarHBondContact O-CG 3.4Å; W742-M746 PolarHBondContact O-N 3.39Å; I743-M746 WeakPolarHBondContact O-CB 3.21Å; I743-M746 PolarHBondContact O-N 2.83Å; I743-M746 VanDerWaalsContact O-N 3.13Å; D744-M746 VanDerWaalsContact C-N 3.35Å; D744-M746 PolarHBondContact O-N 2.89Å; M746-H750 VanDerWaalsContact O-CB 3.32Å; M746-H750 WeakPolarHBondContact O-CB 3.2Å; M746-H750 PolarHBondContact O-N 3.22Å; M746-W779 HydrophobicContact CE-CH2 4.31Å; M746-W779 HydrophobicContact CE-CZ3 3.7Å; M746-H783 HydrophobicContact CE-CB 3.7Å; M746-H783 HydrophobicContact SD-CB 4.41Å; M746-L1161 HydrophobicContact CB-CD2 3.98Å
747A82.4Confident80.6Confident0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-66.5-46.7175.900000112.6I743 D744 I749 H750 S751 L1161 V1164 A1165I743-A747 PolarHBondContact O-N 3.37Å; D744-A747 PolarHBondContact O-N 2.92Å; A747-I749 VanDerWaalsContact C-N 3.32Å; A747-I749 PolarHBondContact O-N 3.18Å; A747-H750 WeakPolarHBondContact O-CB 3.19Å; A747-H750 PolarHBondContact O-N 2.72Å; A747-S751 PolarHBondContact O-N 2.74Å; A747-L1161 HydrophobicContact CB-CD2 3.94Å; A747-L1161 WeakPolarHBondContact CB-O 3.34Å; A747-V1164 HydrophobicContact CB-CB 3.65Å; A747-V1164 HydrophobicContact CB-CG1 3.57Å; A747-A1165 WeakPolarHBondContact O-CB 3.43Å
748I81.2Confident79.5Confident19 Ų1926.5 Ų26.510%0.09713%0.128CC..Hα-helixtrans-62-42.1178.3-66.1166.7000110.2Q697 I701 D744 T745 S751 K752 A1168Q697-I748 HydrophobicContact CB-CD1 3.79Å; Q697-I748 HydrophobicContact CB-CG2 4.5Å; Q697-I748 HydrophobicContact CG-CD1 4.05Å; I701-I748 HydrophobicContact CD1-CG2 3.72Å; D744-I748 VanDerWaalsContact O-CG1 3.31Å; D744-I748 WeakPolarHBondContact O-CG1 3.33Å; D744-I748 PolarHBondContact O-N 3.16Å; T745-I748 PolarHBondContact O-N 3.29Å; I748-S751 PolarHBondContact O-N 3.17Å; I748-K752 VanDerWaalsContact O-CG 3.25Å; I748-K752 WeakPolarHBondContact O-CG 3.33Å; I748-K752 PolarHBondContact O-N 2.79Å; I748-K752 VanDerWaalsContact O-N 3.14Å; I748-A1168 HydrophobicContact CG1-CB 4.17Å
749I84.8Confident78Confident1 Ų130 Ų301%0.00514%0.143CC..Hα-helixtrans-66.2-39.1176.1-70.1170.1000111.4I701 T745 A747 S751 K752 V753 A782 L786I701-I749 HydrophobicContact CD1-CD1 4.42Å; I701-I749 HydrophobicContact CD1-CG1 3.58Å; I701-I749 HydrophobicContact CG1-CG1 4.35Å; T745-I749 HydrophobicContact CG2-CD1 3.9Å; T745-I749 WeakPolarHBondContact O-CB 3.37Å; T745-I749 WeakPolarHBondContact O-CG1 3.28Å; T745-I749 PolarHBondContact O-N 2.78Å; A747-I749 VanDerWaalsContact C-N 3.32Å; A747-I749 PolarHBondContact O-N 3.18Å; I749-S751 VanDerWaalsContact C-N 3.35Å; I749-S751 PolarHBondContact O-N 3.41Å; I749-K752 PolarHBondContact O-N 3.15Å; I749-K752 VanDerWaalsContact O-N 3.15Å; I749-V753 HydrophobicContact CG2-CG2 4.02Å; I749-V753 WeakPolarHBondContact O-CB 3.25Å; I749-V753 WeakPolarHBondContact O-CG2 3.39Å; I749-V753 PolarHBondContact O-N 3.41Å; I749-A782 HydrophobicContact CG2-CB 3.69Å; I749-L786 HydrophobicContact CD1-CD1 3.17Å; I749-L786 HydrophobicContact CD1-CG 4.4Å
750H84.1Confident76.5Confident1 Ų130.2 Ų30.21%0.00515%0.153CC..Hα-helixtrans-60.2-42.2176.2-177.3-110.2000112.4M746 A747 N754 I774 P775 E776 F777 H783 V1162 A1165M746-H750 VanDerWaalsContact O-CB 3.32Å; M746-H750 WeakPolarHBondContact O-CB 3.2Å; M746-H750 PolarHBondContact O-N 3.22Å; A747-H750 WeakPolarHBondContact O-CB 3.19Å; A747-H750 PolarHBondContact O-N 2.72Å; H750-N754 PolarHBondContact NE2-ND2 3.15Å; H750-N754 VanDerWaalsContact NE2-ND2 3.14Å; H750-N754 WeakPolarHBondContact O-CB 3.34Å; H750-N754 PolarHBondContact O-N 2.88Å; H750-N754 VanDerWaalsContact O-N 3.12Å; H750-N754 PolarHBondContact O-ND2 2.81Å; H750-I774 VanDerWaalsContact NE2-CG2 3.31Å; H750-I774 WeakPolarHBondContact NE2-CG2 3.38Å; H750-P775 PolarHBondContact NE2-O 3.05Å; H750-E776 PolarHBondContact NE2-O 3.43Å; H750-F777 HydrophobicContact CB-CD2 4.42Å; H750-F777 HydrophobicContact CB-CE2 4.35Å; H750-F777 AromaticContact CD2-CD2 3.54Å; H750-F777 AromaticContact CD2-CE2 3.89Å; H750-F777 AromaticContact CG-CD2 3.78Å; H750-H783 WeakPolarHBondContact CA-NE2 3.5Å; H750-H783 AromaticContact CD2-CE1 3.78Å; H750-H783 PolarHBondContact N-NE2 2.97Å; H750-V1162 WeakPolarHBondContact NE2-CG2 3.4Å; H750-A1165 WeakPolarHBondContact CE1-CB 3.45Å
751S77.3Confident74.9Confident1 Ų127.9 Ų27.91%0.00716%0.155CC..Hα-helixtrans-56.1-54.2170166.90000111.5A747 I748 I749 V753 N754 F755 A1165 E1169A747-S751 PolarHBondContact O-N 2.74Å; I748-S751 PolarHBondContact O-N 3.17Å; I749-S751 VanDerWaalsContact C-N 3.35Å; I749-S751 PolarHBondContact O-N 3.41Å; S751-V753 PolarHBondContact O-N 2.93Å; S751-N754 PolarHBondContact O-N 3.32Å; S751-N754 VanDerWaalsContact O-N 3.11Å; S751-F755 PolarHBondContact O-N 2.99Å; S751-A1165 WeakPolarHBondContact CB-O 3.26Å; S751-E1169 WeakPolarHBondContact OG-CB 3.28Å; S751-E1169 PolarHBondContact OG-OE2 3.03Å; S751-E1169 VanDerWaalsContact OG-OE2 3.09Å
752K76.2Confident72.7Confident7 Ų732.3 Ų32.33%0.0318%0.177CC..Hα-helixtrans-64.6-38.5-172.9-63.5-73.5179.4166.70112.8D698 I701 L706 I748 I749 L756D698-K752 WeakPolarHBondContact OD1-CE 3.43Å; D698-K752 IonicContact OD1-NZ 3.29Å; D698-K752 PolarHBondContact OD1-NZ 3.16Å; I701-K752 HydrophobicContact CG2-CB 4.42Å; I701-K752 HydrophobicContact CG2-CD 4.39Å; I701-K752 HydrophobicContact CG2-CG 4.08Å; L706-K752 HydrophobicContact CD1-CB 3.6Å; I748-K752 VanDerWaalsContact O-CG 3.25Å; I748-K752 WeakPolarHBondContact O-CG 3.33Å; I748-K752 PolarHBondContact O-N 2.79Å; I748-K752 VanDerWaalsContact O-N 3.14Å; I749-K752 PolarHBondContact O-N 3.15Å; I749-K752 VanDerWaalsContact O-N 3.15Å; K752-L756 WeakPolarHBondContact O-CG 3.5Å; K752-L756 PolarHBondContact O-N 2.7Å
753V77.3Confident70.8Confident32 Ų3235 Ų3519%0.19420%0.197CC..Hα-helixtrans-65.6-40.9174.61720000111L706 I749 S751 L756 S757 A782L706-V753 HydrophobicContact CD1-CG2 4.11Å; I749-V753 HydrophobicContact CG2-CG2 4.02Å; I749-V753 WeakPolarHBondContact O-CB 3.25Å; I749-V753 WeakPolarHBondContact O-CG2 3.39Å; I749-V753 PolarHBondContact O-N 3.41Å; S751-V753 PolarHBondContact O-N 2.93Å; V753-L756 PolarHBondContact O-N 3.34Å; V753-S757 WeakPolarHBondContact O-CB 3.33Å; V753-S757 PolarHBondContact O-N 3.36Å; V753-A782 HydrophobicContact CG2-CB 4.28Å
754N72Confident68.8Low16 Ų1638.7 Ų38.79%0.08622%0.221CC..Hα-helixtrans-70.8-38.2178.6-81.2-33.7000113.8H750 S751 L756 S757 R758 I774 P775H750-N754 PolarHBondContact NE2-ND2 3.15Å; H750-N754 VanDerWaalsContact NE2-ND2 3.14Å; H750-N754 WeakPolarHBondContact O-CB 3.34Å; H750-N754 PolarHBondContact O-N 2.88Å; H750-N754 VanDerWaalsContact O-N 3.12Å; H750-N754 PolarHBondContact O-ND2 2.81Å; S751-N754 PolarHBondContact O-N 3.32Å; S751-N754 VanDerWaalsContact O-N 3.11Å; N754-L756 VanDerWaalsContact C-N 3.31Å; N754-L756 PolarHBondContact O-N 2.85Å; N754-S757 WeakPolarHBondContact CA-OG 3.41Å; N754-S757 PolarHBondContact O-N 3.42Å; N754-S757 VanDerWaalsContact O-N 3.17Å; N754-S757 PolarHBondContact O-OG 2.93Å; N754-R758 PolarHBondContact O-N 3.35Å; N754-I774 HydrophobicContact CB-CG2 4.34Å; N754-I774 WeakPolarHBondContact ND2-CG2 3.41Å; N754-P775 HydrophobicContact CB-CG 4.2Å
755F66.1Low66.8Low34 Ų3440.9 Ų40.915%0.14925%0.247CC..Hα-helixtrans-56.7-47.6172.8-178.2-94.6000110.9S751 S757 R758 F759 E1169 N1173S751-F755 PolarHBondContact O-N 2.99Å; F755-S757 VanDerWaalsContact C-N 3.35Å; F755-S757 PolarHBondContact O-N 3.12Å; F755-R758 PolarHBondContact O-N 2.79Å; F755-F759 AromaticContact CD2-CD2 3.75Å; F755-F759 HydrophobicContact CD2-CD2 3.75Å; F755-F759 AromaticContact CD2-CE2 3.93Å; F755-F759 HydrophobicContact CD2-CE2 3.93Å; F755-F759 AromaticContact CE2-CD2 3.64Å; F755-F759 HydrophobicContact CE2-CD2 3.64Å; F755-F759 AromaticContact CE2-CE2 3.84Å; F755-F759 HydrophobicContact CE2-CE2 3.84Å; F755-F759 HydrophobicContact CG-CD2 4.31Å; F755-F759 HydrophobicContact CZ-CD2 4.1Å; F755-F759 WeakPolarHBondContact O-CD2 3.33Å; F755-F759 PolarHBondContact O-N 2.96Å; F755-F759 VanDerWaalsContact O-N 3.08Å; F755-E1169 WeakPolarHBondContact CD2-OE1 3.33Å; F755-N1173 WeakPolarHBondContact CE2-ND2 3.36Å; F755-N1173 WeakPolarHBondContact CE2-OD1 3.29Å
756L64.3Low64.5Low34 Ų3444.9 Ų44.918%0.17829%0.288CS..Hα-helixtrans-66.9-31.7176.2-67.9169.4000113.1L706 R707 K752 V753 N754 G760L706-L756 HydrophobicContact CB-CD1 3.78Å; L706-L756 HydrophobicContact CD1-CD1 4.11Å; L706-L756 HydrophobicContact CG-CD1 4.43Å; R707-L756 PolarHBondContact NH1-O 3.46Å; K752-L756 WeakPolarHBondContact O-CG 3.5Å; K752-L756 PolarHBondContact O-N 2.7Å; V753-L756 PolarHBondContact O-N 3.34Å; N754-L756 VanDerWaalsContact C-N 3.31Å; N754-L756 PolarHBondContact O-N 2.85Å; L756-G760 WeakPolarHBondContact O-CA 3.37Å; L756-G760 PolarHBondContact O-N 3.06Å
757S66.5Low62.1Low62 Ų6250.5 Ų50.543%0.43432%0.318SS..Hα-helixtrans-69.8-37.3177.680.10000112.2V753 N754 F755V753-S757 WeakPolarHBondContact O-CB 3.33Å; V753-S757 PolarHBondContact O-N 3.36Å; N754-S757 WeakPolarHBondContact CA-OG 3.41Å; N754-S757 PolarHBondContact O-N 3.42Å; N754-S757 VanDerWaalsContact O-N 3.17Å; N754-S757 PolarHBondContact O-OG 2.93Å; F755-S757 VanDerWaalsContact C-N 3.35Å; F755-S757 PolarHBondContact O-N 3.12Å
758R60.2Low59.8Low112 Ų11255.3 Ų55.342%0.42336%0.357SS..Hα-helixtrans-77.9-48.4-179.9-73.7178.1166.8173.8-4.6114N754 F755 Y772 R773N754-R758 PolarHBondContact O-N 3.35Å; F755-R758 PolarHBondContact O-N 2.79Å; R758-Y772 PolarHBondContact NH1-O 3.24Å; R758-R773 PolarHBondContact NH1-O 3.06Å; R758-R773 PolarHBondContact NH2-O 3.38Å
759F54.9Low57.8Low74 Ų7457.1 Ų57.133%0.32537%0.369SS..Hα-helixtrans-100.11.4-171.3-60.7-71000114.5F755 P763 V769F755-F759 AromaticContact CD2-CD2 3.75Å; F755-F759 HydrophobicContact CD2-CD2 3.75Å; F755-F759 AromaticContact CD2-CE2 3.93Å; F755-F759 HydrophobicContact CD2-CE2 3.93Å; F755-F759 AromaticContact CE2-CD2 3.64Å; F755-F759 HydrophobicContact CE2-CD2 3.64Å; F755-F759 AromaticContact CE2-CE2 3.84Å; F755-F759 HydrophobicContact CE2-CE2 3.84Å; F755-F759 HydrophobicContact CG-CD2 4.31Å; F755-F759 HydrophobicContact CZ-CD2 4.1Å; F755-F759 WeakPolarHBondContact O-CD2 3.33Å; F755-F759 PolarHBondContact O-N 2.96Å; F755-F759 VanDerWaalsContact O-N 3.08Å; F759-P763 HydrophobicContact CB-CB 4.05Å; F759-V769 HydrophobicContact CE1-CG2 4.49Å
760G55.1Low55.7Low28 Ų2861.2 Ų61.229%0.28940%0.396SS..  trans64.7-158.6-170.900000111.8L756L756-G760 WeakPolarHBondContact O-CA 3.37Å; L756-G760 PolarHBondContact O-N 3.06Å
761A51.2Low53.7Low50 Ų5067.4 Ų67.441%0.41343%0.428SS..SBendtrans-87.5-13.5177.500000113.6
762N43Very low52.3Low127 Ų12775 Ų7568%0.67946%0.458SS*.SBendtrans-129.183.2-176.5-67.921.9000108.6
763P48.3Very low51.3Low69 Ų6984.3 Ų84.345%0.44849%0.493SS..PPolyproline II helixtrans-61.5139.2173.325-33.1000110.5F759 A765F759-P763 HydrophobicContact CB-CB 4.05Å; P763-A765 PolarHBondContact O-N 3.29Å
764P43.1Very low50.4Low82 Ų8283 Ų8353%0.53249%0.485SS..PPolyproline II helixtrans-67.3128.9176.526.9-33.5000111.1L767P764-L767 HydrophobicContact CG-CD1 4.11Å
765A40.5Very low50Low106 Ų10684.2 Ų84.288%0.87649%0.494SS*.THydrogen-bonded Turntrans-65.4144.4178.500000112P763P763-A765 PolarHBondContact O-N 3.29Å
766G40Very low50.3Low84 Ų8489.5 Ų89.587%0.86652%0.519SS*.THydrogen-bonded Turntrans89-6.2171.600000116.3A768G766-A768 PolarHBondContact O-N 2.73Å
767L35.4Very low51Low121 Ų12188 Ų8863%0.63451%0.511SS*.  trans-81.199.1174.5-104.2169.9000110.9P764 V769P764-L767 HydrophobicContact CG-CD1 4.11Å; L767-V769 HydrophobicContact CB-CG2 3.76Å; L767-V769 HydrophobicContact CD2-CG2 4.2Å; L767-V769 HydrophobicContact CG-CG2 4.39Å; L767-V769 PolarHBondContact O-N 3.46Å
768A33.3Very low51.6Low101 Ų10192.2 Ų92.284%0.83552%0.517SS*.  trans-70.264.816400000110.1G766G766-A768 PolarHBondContact O-N 2.73Å
769V39.8Very low52.6Low57 Ų5787.7 Ų87.735%0.34550%0.5SS..  trans-66.7131.7179.9-164.70000108.4F759 L767 Y772F759-V769 HydrophobicContact CE1-CG2 4.49Å; L767-V769 HydrophobicContact CB-CG2 3.76Å; L767-V769 HydrophobicContact CD2-CG2 4.2Å; L767-V769 HydrophobicContact CG-CG2 4.39Å; L767-V769 PolarHBondContact O-N 3.46Å; V769-Y772 HydrophobicContact CG1-CD2 3.75Å; V769-Y772 HydrophobicContact CG1-CE2 3.79Å
770P40Very low54Low87 Ų8785 Ų8557%0.56549%0.491SS*.  trans-55.5150.3173.622.4-33.2000110.9Y772P770-Y772 HydrophobicContact CG-CD2 4.28Å; P770-Y772 HydrophobicContact CG-CE2 3.74Å; P770-Y772 VanDerWaalsContact O-CD2 3.25Å; P770-Y772 WeakPolarHBondContact O-CD2 3.48Å; P770-Y772 PolarHBondContact O-N 2.87Å
771L42.1Very low55.3Low131 Ų13188 Ų8869%0.68651%0.507SS*.  trans-66.477.3-173.3-147.683.5000111.2R773 Y1170L771-R773 PolarHBondContact O-N 3.2Å; L771-Y1170 HydrophobicContact CD1-CD2 3.85Å; L771-Y1170 HydrophobicContact CD2-CD2 3.63Å; L771-Y1170 HydrophobicContact CD2-CE2 4.44Å; L771-Y1170 HydrophobicContact CD2-CG 4.34Å; L771-Y1170 HydrophobicContact CG-CD2 4.42Å
772Y48.9Very low56.9Low160 Ų16085.8 Ų85.863%0.62749%0.488SS*.  trans-69118.5-176.3-86.4-73.1000110.5R758 V769 P770 I774R758-Y772 PolarHBondContact NH1-O 3.24Å; V769-Y772 HydrophobicContact CG1-CD2 3.75Å; V769-Y772 HydrophobicContact CG1-CE2 3.79Å; P770-Y772 HydrophobicContact CG-CD2 4.28Å; P770-Y772 HydrophobicContact CG-CE2 3.74Å; P770-Y772 VanDerWaalsContact O-CD2 3.25Å; P770-Y772 WeakPolarHBondContact O-CD2 3.48Å; P770-Y772 PolarHBondContact O-N 2.87Å; Y772-I774 PolarHBondContact O-N 3.34Å
773R55.1Low59Low203 Ų20379.7 Ų79.777%0.76646%0.456SS*.  trans-41.3129.4172.9-168.2-178.2-78.3-175.3-4.5110.5R758 L771 N1166R758-R773 PolarHBondContact NH1-O 3.06Å; R758-R773 PolarHBondContact NH2-O 3.38Å; L771-R773 PolarHBondContact O-N 3.2Å; R773-N1166 WeakPolarHBondContact CA-OD1 3.34Å
774I58.2Low60.9Low5 Ų577.9 Ų77.93%0.02644%0.442CS..PPolyproline II helixtrans-53.4135.8174.2-67.9173.8000108.2H750 N754 Y772 V1162 A1165 N1166 E1169H750-I774 VanDerWaalsContact NE2-CG2 3.31Å; H750-I774 WeakPolarHBondContact NE2-CG2 3.38Å; N754-I774 HydrophobicContact CB-CG2 4.34Å; N754-I774 WeakPolarHBondContact ND2-CG2 3.41Å; Y772-I774 PolarHBondContact O-N 3.34Å; I774-V1162 HydrophobicContact CB-CG1 4.45Å; I774-A1165 HydrophobicContact CD1-CB 3.52Å; I774-A1165 WeakPolarHBondContact CD1-O 3.44Å; I774-A1165 HydrophobicContact CG2-CB 4.43Å; I774-N1166 HydrophobicContact CD1-CB 4.33Å; I774-N1166 WeakPolarHBondContact CG1-OD1 3.45Å; I774-N1166 PolarHBondContact N-OD1 2.85Å; I774-E1169 HydrophobicContact CD1-CB 4.31Å; I774-E1169 VanDerWaalsContact CD1-OE2 3.25Å; I774-E1169 WeakPolarHBondContact CD1-OE2 3.44Å; I774-E1169 VanDerWaalsContact CG1-OE2 3.26Å; I774-E1169 WeakPolarHBondContact CG1-OE2 3.35Å
775P64.9Low63.1Low42 Ų4276.2 Ų76.227%0.27343%0.431SS..PPolyproline II helixtrans-68.9173.2-175.631.5-33000110.8H750 N754H750-P775 PolarHBondContact NE2-O 3.05Å; N754-P775 HydrophobicContact CB-CG 4.2Å
776E71.4Confident65.4Low144 Ų14471.2 Ų71.267%0.67339%0.389SS*.SBendtrans-48.9149.1175.4-77-167.3-154.500113.6H750 R778 R1158H750-E776 PolarHBondContact NE2-O 3.43Å; E776-R778 PolarHBondContact O-N 3.26Å; E776-R1158 IonicContact OE2-NH2 3.33Å; E776-R1158 PolarHBondContact OE2-NH2 3.2Å
777F78.4Confident67.9Low2 Ų267.2 Ų67.21%0.00935%0.348CS..PPolyproline II helixtrans-57.5128.4178-174.8-95.5000112.4H750 W779 R1158 L1161 V1162H750-F777 HydrophobicContact CB-CD2 4.42Å; H750-F777 HydrophobicContact CB-CE2 4.35Å; H750-F777 AromaticContact CD2-CD2 3.54Å; H750-F777 AromaticContact CD2-CE2 3.89Å; H750-F777 AromaticContact CG-CD2 3.78Å; F777-W779 AromaticContact CE1-CD2 3.8Å; F777-W779 HydrophobicContact CE1-CD2 3.8Å; F777-W779 AromaticContact CE1-CE2 3.67Å; F777-W779 HydrophobicContact CE1-CE3 4.31Å; F777-W779 HydrophobicContact CE1-CG 4.09Å; F777-W779 HydrophobicContact CE1-CZ2 4.06Å; F777-W779 AromaticContact CE1-NE1 3.88Å; F777-W779 HydrophobicContact CZ-CD2 4.12Å; F777-W779 HydrophobicContact CZ-CE3 4.16Å; F777-W779 HydrophobicContact CZ-CH2 4.46Å; F777-W779 HydrophobicContact CZ-CZ2 4.44Å; F777-W779 HydrophobicContact CZ-CZ3 4.34Å; F777-R1158 HydrophobicContact CB-CB 3.79Å; F777-R1158 HydrophobicContact CB-CG 3.81Å; F777-R1158 HydrophobicContact CD1-CG 3.92Å; F777-R1158 HydrophobicContact CG-CB 4.44Å; F777-R1158 HydrophobicContact CG-CG 4.09Å; F777-R1158 PolarHBondContact O-NH1 2.73Å; F777-L1161 HydrophobicContact CD2-CB 4.36Å; F777-L1161 HydrophobicContact CD2-CD1 3.95Å; F777-L1161 HydrophobicContact CE2-CD1 3.76Å; F777-L1161 HydrophobicContact CZ-CD1 4.25Å; F777-V1162 HydrophobicContact CB-CG2 4.31Å
778R78.9Confident70.5Confident151 Ų15162.9 Ų62.957%0.5733%0.328SS*.  trans-131.6138.2168.3-71.5-172.3171.4171.92.6110.2E776 H783 S864 Q865E776-R778 PolarHBondContact O-N 3.26Å; R778-H783 PolarHBondContact O-ND1 3.28Å; R778-S864 PolarHBondContact NE-O 3.24Å; R778-Q865 WeakPolarHBondContact CA-O 3.31Å
779W82.5Confident73.3Confident18 Ų1860 Ų607%0.06830%0.299CS..  trans-63.2143.9171.7-69.5103000109.5M746 F777 H783 L784 N835 F836 Q865 L867M746-W779 HydrophobicContact CE-CH2 4.31Å; M746-W779 HydrophobicContact CE-CZ3 3.7Å; F777-W779 AromaticContact CE1-CD2 3.8Å; F777-W779 HydrophobicContact CE1-CD2 3.8Å; F777-W779 AromaticContact CE1-CE2 3.67Å; F777-W779 HydrophobicContact CE1-CE3 4.31Å; F777-W779 HydrophobicContact CE1-CG 4.09Å; F777-W779 HydrophobicContact CE1-CZ2 4.06Å; F777-W779 AromaticContact CE1-NE1 3.88Å; F777-W779 HydrophobicContact CZ-CD2 4.12Å; F777-W779 HydrophobicContact CZ-CE3 4.16Å; F777-W779 HydrophobicContact CZ-CH2 4.46Å; F777-W779 HydrophobicContact CZ-CZ2 4.44Å; F777-W779 HydrophobicContact CZ-CZ3 4.34Å; W779-H783 HydrophobicContact CE3-CB 3.72Å; W779-H783 HydrophobicContact CZ3-CB 4.03Å; W779-L784 HydrophobicContact CD2-CD2 4.35Å; W779-L784 HydrophobicContact CE3-CD2 3.86Å; W779-N835 HydrophobicContact CZ2-CB 3.93Å; W779-F836 HydrophobicContact CE3-CZ 4.4Å; W779-F836 HydrophobicContact CH2-CE1 4.49Å; W779-F836 AromaticContact CH2-CE2 3.91Å; W779-F836 HydrophobicContact CH2-CE2 3.91Å; W779-F836 AromaticContact CH2-CZ 3.65Å; W779-F836 HydrophobicContact CH2-CZ 3.65Å; W779-F836 HydrophobicContact CZ2-CE1 4.26Å; W779-F836 HydrophobicContact CZ2-CE2 4.02Å; W779-F836 AromaticContact CZ2-CZ 3.78Å; W779-F836 HydrophobicContact CZ2-CZ 3.78Å; W779-F836 AromaticContact CZ3-CZ 3.97Å; W779-F836 HydrophobicContact CZ3-CZ 3.97Å; W779-Q865 PolarHBondContact N-O 3.07Å; W779-L867 HydrophobicContact CB-CB 4.12Å; W779-L867 HydrophobicContact CG-CB 4.34Å; W779-L867 HydrophobicContact CG-CD2 4.29Å
780S83.3Confident75.9Confident18 Ų1857.3 Ų57.313%0.12628%0.282CS..  trans-136.4162.9179.379.40000108.6A782 H783 L784S780-A782 PolarHBondContact O-N 3.44Å; S780-A782 PolarHBondContact OG-N 3.17Å; S780-H783 PolarHBondContact N-ND1 2.67Å; S780-H783 PolarHBondContact O-N 3.01Å; S780-H783 VanDerWaalsContact O-N 3.13Å; S780-H783 PolarHBondContact OG-CE1 3.03Å; S780-H783 PolarHBondContact OG-N 2.88Å; S780-H783 PolarHBondContact OG-ND1 3.35Å; S780-L784 WeakPolarHBondContact O-CG 3.49Å; S780-L784 PolarHBondContact O-N 2.9Å; S780-L784 VanDerWaalsContact O-N 3.08Å
781S82.2Confident78.4Confident91 Ų9153.2 Ų53.264%0.63626%0.255SS*.Hα-helixtrans-52.4-40.5174.648.40000112.2L784 T785S781-L784 PolarHBondContact O-N 2.77Å; S781-T785 PolarHBondContact O-N 3.02Å; S781-T785 PolarHBondContact O-OG1 3.43Å; S781-T785 VanDerWaalsContact O-OG1 3.1Å
782A84.6Confident80.9Confident2 Ų251.2 Ų51.22%0.01725%0.245CC..Hα-helixtrans-60.7-46.1177.600000113Y721 I749 V753 S780 L784 L786Y721-A782 HydrophobicContact CE1-CB 4.35Å; Y721-A782 WeakPolarHBondContact OH-CA 3.4Å; Y721-A782 WeakPolarHBondContact OH-CB 3.37Å; I749-A782 HydrophobicContact CG2-CB 3.69Å; V753-A782 HydrophobicContact CG2-CB 4.28Å; S780-A782 PolarHBondContact O-N 3.44Å; S780-A782 PolarHBondContact OG-N 3.17Å; A782-L784 VanDerWaalsContact C-N 3.32Å; A782-L784 PolarHBondContact O-N 3.16Å; A782-L786 PolarHBondContact O-N 3.31Å
783H87.7Confident83Confident0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-61.6-41.4176.9-60.7132.9000111.8M746 H750 R778 W779 S780 L787M746-H783 HydrophobicContact CE-CB 3.7Å; M746-H783 HydrophobicContact SD-CB 4.41Å; H750-H783 WeakPolarHBondContact CA-NE2 3.5Å; H750-H783 AromaticContact CD2-CE1 3.78Å; H750-H783 PolarHBondContact N-NE2 2.97Å; R778-H783 PolarHBondContact O-ND1 3.28Å; W779-H783 HydrophobicContact CE3-CB 3.72Å; W779-H783 HydrophobicContact CZ3-CB 4.03Å; S780-H783 PolarHBondContact N-ND1 2.67Å; S780-H783 PolarHBondContact O-N 3.01Å; S780-H783 VanDerWaalsContact O-N 3.13Å; S780-H783 PolarHBondContact OG-CE1 3.03Å; S780-H783 PolarHBondContact OG-N 2.88Å; S780-H783 PolarHBondContact OG-ND1 3.35Å; H783-L787 WeakPolarHBondContact O-CB 3.39Å; H783-L787 PolarHBondContact O-N 3.34Å; H783-L787 VanDerWaalsContact O-N 3.14Å
784L88.7Confident84.8Confident30 Ų3035 Ų3516%0.15719%0.186CC..Hα-helixtrans-74.6-36.8-177.1-61169.3000112.2W779 S780 S781 A782 S788 F836 L867 F875W779-L784 HydrophobicContact CD2-CD2 4.35Å; W779-L784 HydrophobicContact CE3-CD2 3.86Å; S780-L784 WeakPolarHBondContact O-CG 3.49Å; S780-L784 PolarHBondContact O-N 2.9Å; S780-L784 VanDerWaalsContact O-N 3.08Å; S781-L784 PolarHBondContact O-N 2.77Å; A782-L784 VanDerWaalsContact C-N 3.32Å; A782-L784 PolarHBondContact O-N 3.16Å; L784-S788 WeakPolarHBondContact O-CB 3.48Å; L784-S788 PolarHBondContact O-N 2.83Å; L784-F836 HydrophobicContact CD2-CE1 4.22Å; L784-F836 HydrophobicContact CD2-CZ 4.42Å; L784-L867 HydrophobicContact CD1-CD1 3.49Å; L784-L867 VanDerWaalsContact CD1-CD1 3.49Å; L784-L867 HydrophobicContact CD2-CD1 3.67Å; L784-L867 HydrophobicContact CD2-CD2 4.48Å; L784-L867 HydrophobicContact CG-CD1 4.21Å; L784-F875 HydrophobicContact CB-CE2 4.46Å; L784-F875 HydrophobicContact CB-CZ 4.42Å; L784-F875 HydrophobicContact CD2-CD2 4.48Å; L784-F875 HydrophobicContact CD2-CE2 3.86Å; L784-F875 HydrophobicContact CD2-CZ 4.32Å
785T89.4Confident86.5Confident47 Ų4737.2 Ų37.229%0.28820%0.196SC..Hα-helixtrans-60.9-54.5173.2-64.30000110.4Y721 S781 L787 S788 D789Y721-T785 HydrophobicContact CD2-CG2 3.64Å; Y721-T785 HydrophobicContact CE2-CG2 4.09Å; Y721-T785 HydrophobicContact CG-CG2 3.9Å; S781-T785 PolarHBondContact O-N 3.02Å; S781-T785 PolarHBondContact O-OG1 3.43Å; S781-T785 VanDerWaalsContact O-OG1 3.1Å; T785-L787 PolarHBondContact O-N 3.17Å; T785-S788 PolarHBondContact O-N 3.17Å; T785-S788 VanDerWaalsContact O-N 3.12Å; T785-D789 WeakPolarHBondContact CG2-OD2 3.23Å; T785-D789 WeakPolarHBondContact O-CB 3.36Å; T785-D789 VanDerWaalsContact O-CG 3.22Å; T785-D789 PolarHBondContact O-N 3.35Å
786L89.3Confident87.8Confident1 Ų138.9 Ų38.91%0.00521%0.209CC..Hα-helixtrans-62.2-40.2-178-70.9-169.9000113.8Y721 F724 T745 I749 A782 L790Y721-L786 HydrophobicContact CD1-CD2 3.69Å; Y721-L786 HydrophobicContact CD1-CG 4.16Å; Y721-L786 HydrophobicContact CE1-CD2 4.44Å; Y721-L786 HydrophobicContact CE1-CG 4.44Å; Y721-L786 HydrophobicContact CG-CD2 4.36Å; F724-L786 HydrophobicContact CB-CD1 4.41Å; F724-L786 HydrophobicContact CB-CD2 3.44Å; F724-L786 VanDerWaalsContact CB-CD2 3.44Å; F724-L786 HydrophobicContact CD2-CD2 4.41Å; F724-L786 HydrophobicContact CG-CD1 4.3Å; F724-L786 HydrophobicContact CG-CD2 4.08Å; T745-L786 HydrophobicContact CG2-CD1 3.97Å; I749-L786 HydrophobicContact CD1-CD1 3.17Å; I749-L786 HydrophobicContact CD1-CG 4.4Å; A782-L786 PolarHBondContact O-N 3.31Å; L786-L790 WeakPolarHBondContact O-CB 3.49Å; L786-L790 PolarHBondContact O-N 3.26Å
787L90.9Very high88.7Confident0 Ų033.4 Ų33.40%018%0.184CC..Hα-helixtrans-66.2-43.7174179.265.2000111.4W742 H783 T785 D789 L790 L791 V828 F836 F875W742-L787 HydrophobicContact CZ2-CD1 3.94Å; H783-L787 WeakPolarHBondContact O-CB 3.39Å; H783-L787 PolarHBondContact O-N 3.34Å; H783-L787 VanDerWaalsContact O-N 3.14Å; T785-L787 PolarHBondContact O-N 3.17Å; L787-D789 VanDerWaalsContact C-N 3.32Å; L787-D789 PolarHBondContact O-N 3.33Å; L787-L790 PolarHBondContact O-N 2.7Å; L787-L791 HydrophobicContact CD1-CD1 4.04Å; L787-L791 HydrophobicContact CD1-CD2 4.4Å; L787-L791 HydrophobicContact CD1-CG 3.96Å; L787-L791 HydrophobicContact CD2-CD1 4.46Å; L787-L791 HydrophobicContact CG-CD1 3.91Å; L787-L791 HydrophobicContact CG-CG 4.24Å; L787-L791 WeakPolarHBondContact O-CB 3.01Å; L787-L791 VanDerWaalsContact O-CG 3.24Å; L787-L791 WeakPolarHBondContact O-CG 3.24Å; L787-L791 PolarHBondContact O-N 3.35Å; L787-V828 HydrophobicContact CD1-CG1 4.42Å; L787-F836 HydrophobicContact CD2-CE2 3.35Å; L787-F836 HydrophobicContact CD2-CZ 3.38Å; L787-F875 HydrophobicContact CB-CE1 4.36Å; L787-F875 HydrophobicContact CD2-CD1 3.9Å; L787-F875 HydrophobicContact CD2-CE1 3.86Å; L787-F875 HydrophobicContact CG-CD1 4.3Å; L787-F875 HydrophobicContact CG-CE1 3.93Å
788S91.7Very high89.3Confident30 Ų3034.1 Ų34.121%0.2119%0.188CC..Hα-helixtrans-60.1-44.5179.5-177.80000111.8L784 T785 L791 L792 R878L784-S788 WeakPolarHBondContact O-CB 3.48Å; L784-S788 PolarHBondContact O-N 2.83Å; T785-S788 PolarHBondContact O-N 3.17Å; T785-S788 VanDerWaalsContact O-N 3.12Å; S788-L791 PolarHBondContact O-N 3.1Å; S788-L792 VanDerWaalsContact O-CG 3.32Å; S788-L792 WeakPolarHBondContact O-CG 3.35Å; S788-L792 PolarHBondContact O-N 3.06Å; S788-R878 PolarHBondContact O-NH1 3.27Å; S788-R878 PolarHBondContact O-NH2 2.9Å; S788-R878 VanDerWaalsContact O-NH2 3.15Å; S788-R878 PolarHBondContact OG-NH1 3.19Å
789D91.6Very high89.9Confident42 Ų4229 Ų2923%0.22518%0.178CC..Hα-helixtrans-67.8-41.6-179.4-64.6-11.9000110.8T785 L787 L792 S793T785-D789 WeakPolarHBondContact CG2-OD2 3.23Å; T785-D789 WeakPolarHBondContact O-CB 3.36Å; T785-D789 VanDerWaalsContact O-CG 3.22Å; T785-D789 PolarHBondContact O-N 3.35Å; L787-D789 VanDerWaalsContact C-N 3.32Å; L787-D789 PolarHBondContact O-N 3.33Å; D789-L792 WeakPolarHBondContact O-CB 3.11Å; D789-L792 PolarHBondContact O-N 2.88Å; D789-S793 PolarHBondContact O-N 2.91Å; D789-S793 PolarHBondContact O-OG 2.84Å
790L93.9Very high90.1Very high0 Ų030.9 Ų30.90%020%0.197CC..Hα-helixtrans-63.1-44.3174.8-178.459.3000112.3L728 I732 W742 L786 L787 L792 S793 I794 V828L728-L790 HydrophobicContact CB-CD1 4.04Å; I732-L790 HydrophobicContact CG1-CD1 3.92Å; I732-L790 HydrophobicContact CG1-CD2 4.24Å; W742-L790 HydrophobicContact CB-CD2 4.44Å; W742-L790 HydrophobicContact CG-CD2 3.93Å; L786-L790 WeakPolarHBondContact O-CB 3.49Å; L786-L790 PolarHBondContact O-N 3.26Å; L787-L790 PolarHBondContact O-N 2.7Å; L790-L792 VanDerWaalsContact C-N 3.3Å; L790-L792 PolarHBondContact O-N 2.93Å; L790-S793 PolarHBondContact O-N 2.88Å; L790-I794 HydrophobicContact CG-CD1 4.28Å; L790-I794 WeakPolarHBondContact O-CG1 3.05Å; L790-I794 PolarHBondContact O-N 3.09Å; L790-I794 VanDerWaalsContact O-N 3.12Å; L790-V828 HydrophobicContact CD2-CG1 4.34Å; L790-V828 HydrophobicContact CD2-CG2 4.38Å
791L93.7Very high90.3Very high0 Ų031.2 Ų31.20%020%0.196CC..Hα-helixtrans-63.9-36.5175.7-67.6175.8000111.2L787 S788 S793 I794 E795 F875 R878 L879 L882L787-L791 HydrophobicContact CD1-CD1 4.04Å; L787-L791 HydrophobicContact CD1-CD2 4.4Å; L787-L791 HydrophobicContact CD1-CG 3.96Å; L787-L791 HydrophobicContact CD2-CD1 4.46Å; L787-L791 HydrophobicContact CG-CD1 3.91Å; L787-L791 HydrophobicContact CG-CG 4.24Å; L787-L791 WeakPolarHBondContact O-CB 3.01Å; L787-L791 VanDerWaalsContact O-CG 3.24Å; L787-L791 WeakPolarHBondContact O-CG 3.24Å; L787-L791 PolarHBondContact O-N 3.35Å; S788-L791 PolarHBondContact O-N 3.1Å; L791-S793 VanDerWaalsContact C-N 3.32Å; L791-S793 PolarHBondContact O-N 2.92Å; L791-I794 PolarHBondContact O-N 2.79Å; L791-E795 WeakPolarHBondContact O-CB 3.29Å; L791-E795 WeakPolarHBondContact O-CG 3.37Å; L791-E795 PolarHBondContact O-N 2.57Å; L791-F875 HydrophobicContact CD1-CD1 3.77Å; L791-F875 HydrophobicContact CD1-CE1 4.05Å; L791-R878 VanDerWaalsContact C-NH2 3.33Å; L791-R878 VanDerWaalsContact CB-NH2 3.28Å; L791-L879 HydrophobicContact CD1-CD2 4.33Å; L791-L879 HydrophobicContact CD2-CD2 3.95Å; L791-L882 HydrophobicContact CD2-CD1 3.65Å
792L94.1Very high90.4Very high90 Ų9034.2 Ų34.247%0.47120%0.197SC..Hα-helixtrans-62.8-39175.1-78.9172000111.4S788 D789 L790 S796S788-L792 VanDerWaalsContact O-CG 3.32Å; S788-L792 WeakPolarHBondContact O-CG 3.35Å; S788-L792 PolarHBondContact O-N 3.06Å; D789-L792 WeakPolarHBondContact O-CB 3.11Å; D789-L792 PolarHBondContact O-N 2.88Å; L790-L792 VanDerWaalsContact C-N 3.3Å; L790-L792 PolarHBondContact O-N 2.93Å; L792-S796 VanDerWaalsContact O-CB 3.29Å; L792-S796 WeakPolarHBondContact O-CB 3.48Å; L792-S796 PolarHBondContact O-N 3.14Å
793S92.4Very high90.5Very high20 Ų2040.6 Ų40.614%0.1423%0.231CC..Hα-helixtrans-65.6-43.2176.1-55.50000112.4H729 D789 L790 L791 S796 D797H729-S793 VanDerWaalsContact CD2-CB 3.46Å; H729-S793 WeakPolarHBondContact CD2-CB 3.5Å; D789-S793 PolarHBondContact O-N 2.91Å; D789-S793 PolarHBondContact O-OG 2.84Å; L790-S793 PolarHBondContact O-N 2.88Å; L791-S793 VanDerWaalsContact C-N 3.32Å; L791-S793 PolarHBondContact O-N 2.92Å; S793-S796 WeakPolarHBondContact O-CB 3.48Å; S793-S796 PolarHBondContact O-N 3.45Å; S793-D797 PolarHBondContact O-N 3.07Å
794I93.6Very high90.3Very high3 Ų344.9 Ų44.92%0.01525%0.254CS..Hα-helixtrans-64.1-44.2175.8-63.9167.4000110.8I732 L790 L791 S796 D797 I798 F821 L882 I886I732-I794 HydrophobicContact CG2-CD1 4.23Å; I732-I794 HydrophobicContact CG2-CG1 4.31Å; L790-I794 HydrophobicContact CG-CD1 4.28Å; L790-I794 WeakPolarHBondContact O-CG1 3.05Å; L790-I794 PolarHBondContact O-N 3.09Å; L790-I794 VanDerWaalsContact O-N 3.12Å; L791-I794 PolarHBondContact O-N 2.79Å; I794-S796 VanDerWaalsContact C-N 3.28Å; I794-S796 PolarHBondContact O-N 3.07Å; I794-D797 PolarHBondContact O-N 3.07Å; I794-I798 HydrophobicContact CG2-CD1 4.19Å; I794-I798 WeakPolarHBondContact O-CG1 3.37Å; I794-I798 PolarHBondContact O-N 3.27Å; I794-F821 HydrophobicContact CB-CE2 4.49Å; I794-F821 HydrophobicContact CB-CZ 4.4Å; I794-F821 HydrophobicContact CG1-CE2 4.21Å; I794-F821 HydrophobicContact CG2-CE2 4.32Å; I794-F821 HydrophobicContact CG2-CZ 3.83Å; I794-L882 HydrophobicContact CG2-CD1 4.39Å; I794-L882 HydrophobicContact CG2-CD2 3.82Å; I794-I886 HydrophobicContact CG2-CD1 3.93Å
795E94.5Very high89.8Confident51 Ų5146.5 Ų46.524%0.23828%0.278CS..Hα-helixtrans-61.2-36.3174.7-72162.6174.600111.7L791 A799 R878 L882L791-E795 WeakPolarHBondContact O-CB 3.29Å; L791-E795 WeakPolarHBondContact O-CG 3.37Å; L791-E795 PolarHBondContact O-N 2.57Å; E795-A799 WeakPolarHBondContact O-CB 3.3Å; E795-A799 PolarHBondContact O-N 2.94Å; E795-R878 VanDerWaalsContact CD-NH2 3.31Å; E795-R878 IonicContact OE1-CZ 3.93Å; E795-R878 IonicContact OE1-NE 2.71Å; E795-R878 PolarHBondContact OE1-NE 3.31Å; E795-R878 IonicContact OE1-NH2 2.85Å; E795-R878 PolarHBondContact OE1-NH2 3.26Å; E795-R878 IonicContact OE2-CZ 3.11Å; E795-R878 IonicContact OE2-NE 3.5Å; E795-R878 PolarHBondContact OE2-NE 3.03Å; E795-R878 IonicContact OE2-NH2 2.72Å; E795-R878 PolarHBondContact OE2-NH2 3.42Å; E795-L882 HydrophobicContact CG-CD1 4.33Å; E795-L882 HydrophobicContact CG-CD2 3.87Å; E795-L882 HydrophobicContact CG-CG 4.24Å
796S91.2Very high89.5Confident77 Ų7748.3 Ų48.354%0.53829%0.292SS..Hα-helixtrans-68.8-41176.9-174.20000112.9L792 S793 I794 I798 A799 A800L792-S796 VanDerWaalsContact O-CB 3.29Å; L792-S796 WeakPolarHBondContact O-CB 3.48Å; L792-S796 PolarHBondContact O-N 3.14Å; S793-S796 WeakPolarHBondContact O-CB 3.48Å; S793-S796 PolarHBondContact O-N 3.45Å; I794-S796 VanDerWaalsContact C-N 3.28Å; I794-S796 PolarHBondContact O-N 3.07Å; S796-I798 VanDerWaalsContact C-N 3.34Å; S796-A799 PolarHBondContact O-N 2.86Å; S796-A800 PolarHBondContact O-N 2.81Å
797D90.9Very high89.1Confident28 Ų2854.6 Ų54.615%0.1532%0.316CS..Hα-helixtrans-61.8-44174.8-74.3-35000110.8H729 S793 I794 A800 W801 F821H729-D797 IonicContact CD2-OD2 2.65Å; H729-D797 IonicContact CE1-OD1 2.8Å; H729-D797 IonicContact CE1-OD2 2.81Å; H729-D797 IonicContact NE2-OD1 2.74Å; H729-D797 IonicContact NE2-OD2 3.19Å; H729-D797 PolarHBondContact NE2-OD2 3.45Å; S793-D797 PolarHBondContact O-N 3.07Å; I794-D797 PolarHBondContact O-N 3.07Å; D797-A800 WeakPolarHBondContact O-CB 3.37Å; D797-A800 PolarHBondContact O-N 3.06Å; D797-W801 PolarHBondContact O-N 2.88Å; D797-F821 HydrophobicContact CB-CE2 4.14Å; D797-F821 HydrophobicContact CB-CZ 3.86Å; D797-F821 VanDerWaalsContact OD2-CE2 3.24Å; D797-F821 WeakPolarHBondContact OD2-CE2 3.35Å
798I90.8Very high88.9Confident17 Ų1758.3 Ų58.39%0.08734%0.339CS..Hα-helixtrans-63.3-42.2176.1-72.3165.9000111.5I794 S796 A800 W801 K802 L809 L882 V885 I886I794-I798 HydrophobicContact CG2-CD1 4.19Å; I794-I798 WeakPolarHBondContact O-CG1 3.37Å; I794-I798 PolarHBondContact O-N 3.27Å; S796-I798 VanDerWaalsContact C-N 3.34Å; I798-A800 VanDerWaalsContact C-N 3.31Å; I798-A800 PolarHBondContact O-N 3.06Å; I798-W801 HydrophobicContact CG1-CE3 4.38Å; I798-W801 HydrophobicContact CG1-CZ3 4.49Å; I798-W801 PolarHBondContact O-N 3.3Å; I798-K802 WeakPolarHBondContact O-CB 3.39Å; I798-K802 PolarHBondContact O-N 3.4Å; I798-L809 HydrophobicContact CG2-CD1 4.38Å; I798-L809 HydrophobicContact CG2-CD2 4.4Å; I798-L882 HydrophobicContact CD1-CD2 3.47Å; I798-L882 VanDerWaalsContact CD1-CD2 3.47Å; I798-V885 HydrophobicContact CD1-CB 4.46Å; I798-V885 HydrophobicContact CD1-CG1 3.98Å; I798-V885 HydrophobicContact CG1-CG1 4.18Å; I798-V885 HydrophobicContact CG2-CG1 3.87Å; I798-V885 HydrophobicContact CG2-CG2 4.38Å; I798-I886 HydrophobicContact CD1-CD1 3.9Å; I798-I886 HydrophobicContact CD1-CG1 3.82Å
799A90.1Very high88.6Confident44 Ų4459.1 Ų59.136%0.36434%0.341SS..Hα-helixtrans-63.6-37.5175.800000111.7E795 S796 K802 N803E795-A799 WeakPolarHBondContact O-CB 3.3Å; E795-A799 PolarHBondContact O-N 2.94Å; S796-A799 PolarHBondContact O-N 2.86Å; A799-K802 PolarHBondContact O-N 2.63Å; A799-N803 WeakPolarHBondContact O-CB 3.49Å; A799-N803 PolarHBondContact O-N 3.27Å; A799-N803 PolarHBondContact O-ND2 3.1Å
800A88Confident88.4Confident57 Ų5761.4 Ų61.447%0.47135%0.352SS..Hα-helixtrans-63.4-47.6174.200000111.7S796 D797 I798 K802 N803 D804S796-A800 PolarHBondContact O-N 2.81Å; D797-A800 WeakPolarHBondContact O-CB 3.37Å; D797-A800 PolarHBondContact O-N 3.06Å; I798-A800 VanDerWaalsContact C-N 3.31Å; I798-A800 PolarHBondContact O-N 3.06Å; A800-K802 VanDerWaalsContact C-N 3.3Å; A800-K802 PolarHBondContact O-N 3.1Å; A800-N803 PolarHBondContact O-N 3.27Å; A800-N803 VanDerWaalsContact O-N 3.09Å; A800-D804 PolarHBondContact O-N 2.94Å
801W87.8Confident88Confident26 Ų2665 Ų6510%0.09837%0.371CS..Hα-helixtrans-61-36.4175.4-63-20.8000113.3D797 I798 N803 L809 F812 I813 N818 F821D797-W801 PolarHBondContact O-N 2.88Å; I798-W801 HydrophobicContact CG1-CE3 4.38Å; I798-W801 HydrophobicContact CG1-CZ3 4.49Å; I798-W801 PolarHBondContact O-N 3.3Å; W801-N803 VanDerWaalsContact C-N 3.3Å; W801-N803 PolarHBondContact O-N 3.04Å; W801-L809 HydrophobicContact CB-CD1 3.79Å; W801-L809 HydrophobicContact CE3-CD1 4.31Å; W801-F812 HydrophobicContact CB-CB 4.07Å; W801-F812 HydrophobicContact CB-CD1 4.47Å; W801-F812 HydrophobicContact CB-CD2 3.87Å; W801-F812 HydrophobicContact CB-CE2 4.45Å; W801-F812 HydrophobicContact CB-CG 3.88Å; W801-F812 AromaticContact CD1-CD1 3.94Å; W801-F812 HydrophobicContact CD2-CB 3.93Å; W801-F812 HydrophobicContact CD2-CG 4.35Å; W801-F812 HydrophobicContact CE3-CB 4.06Å; W801-F812 HydrophobicContact CG-CB 3.95Å; W801-F812 HydrophobicContact CG-CD1 4.11Å; W801-F812 HydrophobicContact CG-CD2 4.36Å; W801-F812 AromaticContact CG-CG 3.89Å; W801-F812 HydrophobicContact CG-CG 3.89Å; W801-I813 HydrophobicContact CZ3-CG1 4.21Å; W801-N818 HydrophobicContact CH2-CB 4.03Å; W801-N818 HydrophobicContact CZ2-CB 4.16Å; W801-F821 AromaticContact CH2-CD1 3.45Å; W801-F821 HydrophobicContact CH2-CD1 3.45Å; W801-F821 VanDerWaalsContact CH2-CD1 3.45Å; W801-F821 AromaticContact CH2-CE1 3.42Å; W801-F821 HydrophobicContact CH2-CE1 3.42Å; W801-F821 VanDerWaalsContact CH2-CE1 3.42Å; W801-F821 HydrophobicContact CH2-CG 4.41Å; W801-F821 HydrophobicContact CH2-CZ 4.36Å; W801-F821 HydrophobicContact CZ2-CD1 4.31Å; W801-F821 HydrophobicContact CZ2-CE1 4.32Å; W801-F821 HydrophobicContact CZ3-CD1 4.15Å; W801-F821 AromaticContact CZ3-CE1 3.74Å; W801-F821 HydrophobicContact CZ3-CE1 3.74Å
802K84.7Confident87.9Confident154 Ų15465.8 Ų65.867%0.6738%0.375SS*.Hα-helixtrans-68-30.4175.3-170.1176.7-179178.90112.7I798 A799 A800I798-K802 WeakPolarHBondContact O-CB 3.39Å; I798-K802 PolarHBondContact O-N 3.4Å; A799-K802 PolarHBondContact O-N 2.63Å; A800-K802 VanDerWaalsContact C-N 3.3Å; A800-K802 PolarHBondContact O-N 3.1Å
803N86Confident87.7Confident135 Ų13561.7 Ų61.772%0.72235%0.353SS*.Hα-helixtrans-88.9-18.1-179.1-69.2-18000113.8A799 A800 W801 G805A799-N803 WeakPolarHBondContact O-CB 3.49Å; A799-N803 PolarHBondContact O-N 3.27Å; A799-N803 PolarHBondContact O-ND2 3.1Å; A800-N803 PolarHBondContact O-N 3.27Å; A800-N803 VanDerWaalsContact O-N 3.09Å; W801-N803 VanDerWaalsContact C-N 3.3Å; W801-N803 PolarHBondContact O-N 3.04Å; N803-G805 VanDerWaalsContact C-N 3.32Å; N803-G805 PolarHBondContact O-N 3.46Å
804D82.3Confident87.6Confident90 Ų9064 Ų6448%0.48136%0.364SS..Hα-helixtrans-60.1-40.4178.2174.997.8000112.5A800 S806 F812A800-D804 PolarHBondContact O-N 2.94Å; D804-S806 PolarHBondContact O-N 3.16Å; D804-S806 WeakPolarHBondContact OD2-CB 3.37Å; D804-S806 PolarHBondContact OD2-N 2.8Å; D804-S806 PolarHBondContact OD2-OG 3.09Å; D804-F812 HydrophobicContact CB-CE2 4.1Å; D804-F812 HydrophobicContact CB-CZ 3.98Å; D804-F812 WeakPolarHBondContact OD2-CZ 3.25Å
805G78.3Confident87.4Confident64 Ų6465.6 Ų65.666%0.6637%0.371SS*.  trans69.7-7.2172.300000116.3N803 R807N803-G805 VanDerWaalsContact C-N 3.32Å; N803-G805 PolarHBondContact O-N 3.46Å; G805-R807 VanDerWaalsContact C-N 3.33Å
806S83.4Confident87Confident85 Ų8568.3 Ų68.359%0.59440%0.396SS*.SBendtrans-76.3-22.1178.674.80000113.4D804D804-S806 PolarHBondContact O-N 3.16Å; D804-S806 WeakPolarHBondContact OD2-CB 3.37Å; D804-S806 PolarHBondContact OD2-N 2.8Å; D804-S806 PolarHBondContact OD2-OG 3.09Å
807R82.5Confident86.7Confident133 Ų13372.1 Ų72.150%0.50241%0.405SS..SBendtrans-143.3164.6-178.8-57.3177.3-171.8166.75.9110G805 D811 F812 Q815G805-R807 VanDerWaalsContact C-N 3.33Å; R807-D811 HydrophobicContact CB-CB 3.91Å; R807-F812 HydrophobicContact CB-CD2 4.19Å; R807-F812 HydrophobicContact CB-CE2 3.8Å; R807-F812 HydrophobicContact CB-CZ 4.27Å; R807-Q815 VanDerWaalsContact NH1-OE1 3.14Å
808T85.8Confident86.7Confident79 Ų7971 Ų7149%0.48540%0.399SS..  trans-75.2159.3172.274.30000110.5I810 D811 F812T808-I810 PolarHBondContact O-N 3.06Å; T808-D811 WeakPolarHBondContact CA-OD2 3.36Å; T808-D811 WeakPolarHBondContact CB-OD2 3.26Å; T808-D811 PolarHBondContact N-OD2 3.44Å; T808-D811 WeakPolarHBondContact O-CB 3.26Å; T808-D811 PolarHBondContact O-N 3.15Å; T808-D811 VanDerWaalsContact O-N 3.11Å; T808-D811 PolarHBondContact OG1-N 3.45Å; T808-D811 PolarHBondContact OG1-OD2 3.38Å; T808-F812 PolarHBondContact O-N 3.35Å
809L85.4Confident86.6Confident46 Ų4672 Ų7224%0.24141%0.41CS..Hα-helixtrans-60.1-30.2179.3-172.458.9000112.4I798 W801 F812 I813 V885I798-L809 HydrophobicContact CG2-CD1 4.38Å; I798-L809 HydrophobicContact CG2-CD2 4.4Å; W801-L809 HydrophobicContact CB-CD1 3.79Å; W801-L809 HydrophobicContact CE3-CD1 4.31Å; L809-F812 PolarHBondContact O-N 2.93Å; L809-I813 HydrophobicContact CG-CD1 4.25Å; L809-I813 WeakPolarHBondContact O-CD1 3.27Å; L809-I813 VanDerWaalsContact O-CG1 3.32Å; L809-I813 WeakPolarHBondContact O-CG1 3.4Å; L809-I813 PolarHBondContact O-N 2.9Å; L809-V885 HydrophobicContact CD2-CG1 3.72Å; L809-V885 HydrophobicContact CD2-CG2 4.15Å; L809-V885 HydrophobicContact CG-CG1 4.13Å
810I86.2Confident86.6Confident90 Ų9072 Ų7246%0.46241%0.405SS..Hα-helixtrans-73.7-31.7179-140.4155.3000112T808 F812 I813 N814 G889T808-I810 PolarHBondContact O-N 3.06Å; I810-F812 VanDerWaalsContact C-N 3.31Å; I810-F812 PolarHBondContact O-N 3.22Å; I810-I813 PolarHBondContact O-N 2.9Å; I810-N814 PolarHBondContact O-N 2.84Å; I810-N814 PolarHBondContact O-ND2 3.13Å; I810-G889 WeakPolarHBondContact CG1-O 3.42Å
811D87.4Confident86.9Confident75 Ų7569.2 Ų69.240%0.40138%0.383SS..Hα-helixtrans-66.7-34.9172.8-55.9-48.1000111.2R807 T808 Q815R807-D811 HydrophobicContact CB-CB 3.91Å; T808-D811 WeakPolarHBondContact CA-OD2 3.36Å; T808-D811 WeakPolarHBondContact CB-OD2 3.26Å; T808-D811 PolarHBondContact N-OD2 3.44Å; T808-D811 WeakPolarHBondContact O-CB 3.26Å; T808-D811 PolarHBondContact O-N 3.15Å; T808-D811 VanDerWaalsContact O-N 3.11Å; T808-D811 PolarHBondContact OG1-N 3.45Å; T808-D811 PolarHBondContact OG1-OD2 3.38Å; D811-Q815 VanDerWaalsContact O-CG 3.26Å; D811-Q815 WeakPolarHBondContact O-CG 3.26Å; D811-Q815 PolarHBondContact O-N 2.86Å; D811-Q815 PolarHBondContact O-NE2 3.04Å
812F89.7Confident87.1Confident17 Ų1768 Ų688%0.07538%0.378CS..Hα-helixtrans-67.4-43.5175-82.8-68.2000112.5W801 D804 R807 T808 L809 I810 N814 Q815 N818W801-F812 HydrophobicContact CB-CB 4.07Å; W801-F812 HydrophobicContact CB-CD1 4.47Å; W801-F812 HydrophobicContact CB-CD2 3.87Å; W801-F812 HydrophobicContact CB-CE2 4.45Å; W801-F812 HydrophobicContact CB-CG 3.88Å; W801-F812 AromaticContact CD1-CD1 3.94Å; W801-F812 HydrophobicContact CD2-CB 3.93Å; W801-F812 HydrophobicContact CD2-CG 4.35Å; W801-F812 HydrophobicContact CE3-CB 4.06Å; W801-F812 HydrophobicContact CG-CB 3.95Å; W801-F812 HydrophobicContact CG-CD1 4.11Å; W801-F812 HydrophobicContact CG-CD2 4.36Å; W801-F812 AromaticContact CG-CG 3.89Å; W801-F812 HydrophobicContact CG-CG 3.89Å; D804-F812 HydrophobicContact CB-CE2 4.1Å; D804-F812 HydrophobicContact CB-CZ 3.98Å; D804-F812 WeakPolarHBondContact OD2-CZ 3.25Å; R807-F812 HydrophobicContact CB-CD2 4.19Å; R807-F812 HydrophobicContact CB-CE2 3.8Å; R807-F812 HydrophobicContact CB-CZ 4.27Å; T808-F812 PolarHBondContact O-N 3.35Å; L809-F812 PolarHBondContact O-N 2.93Å; I810-F812 VanDerWaalsContact C-N 3.31Å; I810-F812 PolarHBondContact O-N 3.22Å; F812-N814 VanDerWaalsContact C-N 3.32Å; F812-N814 PolarHBondContact O-N 3.26Å; F812-Q815 PolarHBondContact O-N 3.46Å; F812-N818 PolarHBondContact O-ND2 3.47Å
813I89.9Confident87.3Confident5 Ų563 Ų633%0.02636%0.36CS..Hα-helixtrans-64.5-37.7-179-67.6161000111.6W801 L809 I810 V822 V885W801-I813 HydrophobicContact CZ3-CG1 4.21Å; L809-I813 HydrophobicContact CG-CD1 4.25Å; L809-I813 WeakPolarHBondContact O-CD1 3.27Å; L809-I813 VanDerWaalsContact O-CG1 3.32Å; L809-I813 WeakPolarHBondContact O-CG1 3.4Å; L809-I813 PolarHBondContact O-N 2.9Å; I810-I813 PolarHBondContact O-N 2.9Å; I813-V822 HydrophobicContact CG2-CG1 4.37Å; I813-V822 HydrophobicContact CG2-CG2 3.91Å; I813-V885 HydrophobicContact CD1-CG1 3.73Å; I813-V885 VanDerWaalsContact CD1-O 3.22Å; I813-V885 WeakPolarHBondContact CD1-O 3.23Å
814N91.5Very high87.7Confident69 Ų6956.7 Ų56.737%0.36933%0.326SS..THydrogen-bonded Turntrans-927.3-176.4-63.8-65.5000114.6I810 F812 G889 T890 A891I810-N814 PolarHBondContact O-N 2.84Å; I810-N814 PolarHBondContact O-ND2 3.13Å; F812-N814 VanDerWaalsContact C-N 3.32Å; F812-N814 PolarHBondContact O-N 3.26Å; N814-G889 PolarHBondContact ND2-O 3.5Å; N814-T890 WeakPolarHBondContact OD1-CA 3.43Å; N814-A891 PolarHBondContact OD1-N 3.34Å
815Q89.5Confident88.2Confident36 Ų3652.4 Ų52.417%0.16830%0.303CS..SBendtrans-70.5135.9169-83.4156.552.400111R807 D811 F812 E817 N818 A819R807-Q815 VanDerWaalsContact NH1-OE1 3.14Å; D811-Q815 VanDerWaalsContact O-CG 3.26Å; D811-Q815 WeakPolarHBondContact O-CG 3.26Å; D811-Q815 PolarHBondContact O-N 2.86Å; D811-Q815 PolarHBondContact O-NE2 3.04Å; F812-Q815 PolarHBondContact O-N 3.46Å; Q815-E817 PolarHBondContact O-N 3.09Å; Q815-N818 PolarHBondContact O-N 3.01Å; Q815-A819 PolarHBondContact O-N 3.39Å
816S85.2Confident88.9Confident107 Ų10749.4 Ų49.475%0.74827%0.272SS*.G310 helixtrans-54.7-35177.849.10000113.3N818 A819S816-N818 PolarHBondContact O-N 3.19Å; S816-A819 WeakPolarHBondContact O-CB 3.41Å; S816-A819 PolarHBondContact O-N 3.34Å
817E85.5Confident89.1Confident157 Ų15745.5 Ų45.573%0.73425%0.245SC*.G310 helixtrans-64.6-21.7176-62.3179.9-165.900114Q815Q815-E817 PolarHBondContact O-N 3.09Å
818N91Very high89.5Confident5 Ų539.1 Ų39.13%0.02722%0.221CC..G310 helixtrans-103.6-5.7-179.6-63.5-33.8000112.7R733 W801 F812 Q815 S816 V820 F821 V822R733-N818 PolarHBondContact NH1-OD1 3.08Å; R733-N818 PolarHBondContact NH2-OD1 2.77Å; W801-N818 HydrophobicContact CH2-CB 4.03Å; W801-N818 HydrophobicContact CZ2-CB 4.16Å; F812-N818 PolarHBondContact O-ND2 3.47Å; Q815-N818 PolarHBondContact O-N 3.01Å; S816-N818 PolarHBondContact O-N 3.19Å; N818-V820 VanDerWaalsContact C-N 3.3Å; N818-V820 PolarHBondContact O-N 3.41Å; N818-F821 WeakPolarHBondContact O-CB 3.33Å; N818-F821 PolarHBondContact O-N 3.01Å; N818-V822 WeakPolarHBondContact O-CG2 3.49Å; N818-V822 PolarHBondContact O-N 2.87Å
819A88.6Confident89.7Confident37 Ų3735.6 Ų35.631%0.30620%0.199SC..Hα-helixtrans-54.7-42.3-177.900000113Q815 S816 V822 V823Q815-A819 PolarHBondContact O-N 3.39Å; S816-A819 WeakPolarHBondContact O-CB 3.41Å; S816-A819 PolarHBondContact O-N 3.34Å; A819-V822 PolarHBondContact O-N 3.21Å; A819-V823 WeakPolarHBondContact O-CB 3.45Å; A819-V823 WeakPolarHBondContact O-CG2 3.48Å; A819-V823 PolarHBondContact O-N 2.74Å
820V89.9Confident89.9Confident44 Ų4433.5 Ų33.527%0.26719%0.188SC..Hα-helixtrans-62-46.3176.8175.60000111.6E735 N818 N824E735-V820 WeakPolarHBondContact O-CG1 3.49Å; N818-V820 VanDerWaalsContact C-N 3.3Å; N818-V820 PolarHBondContact O-N 3.41Å; V820-N824 VanDerWaalsContact O-CB 3.27Å; V820-N824 WeakPolarHBondContact O-CB 3.37Å; V820-N824 VanDerWaalsContact O-CG 3.27Å; V820-N824 PolarHBondContact O-N 3.08Å; V820-N824 PolarHBondContact O-ND2 3.49Å
821F93.8Very high89.9Confident0 Ų030.3 Ų30.30%017%0.171CC..Hα-helixtrans-62.8-43.8177.1168.6-93.2000112.3I732 R733 I794 D797 W801 N818 S825I732-F821 HydrophobicContact CG2-CD2 4.14Å; I732-F821 HydrophobicContact CG2-CE2 4.48Å; I732-F821 WeakPolarHBondContact O-CA 3.5Å; R733-F821 HydrophobicContact CB-CD2 4.27Å; I794-F821 HydrophobicContact CB-CE2 4.49Å; I794-F821 HydrophobicContact CB-CZ 4.4Å; I794-F821 HydrophobicContact CG1-CE2 4.21Å; I794-F821 HydrophobicContact CG2-CE2 4.32Å; I794-F821 HydrophobicContact CG2-CZ 3.83Å; D797-F821 HydrophobicContact CB-CE2 4.14Å; D797-F821 HydrophobicContact CB-CZ 3.86Å; D797-F821 VanDerWaalsContact OD2-CE2 3.24Å; D797-F821 WeakPolarHBondContact OD2-CE2 3.35Å; W801-F821 AromaticContact CH2-CD1 3.45Å; W801-F821 HydrophobicContact CH2-CD1 3.45Å; W801-F821 VanDerWaalsContact CH2-CD1 3.45Å; W801-F821 AromaticContact CH2-CE1 3.42Å; W801-F821 HydrophobicContact CH2-CE1 3.42Å; W801-F821 VanDerWaalsContact CH2-CE1 3.42Å; W801-F821 HydrophobicContact CH2-CG 4.41Å; W801-F821 HydrophobicContact CH2-CZ 4.36Å; W801-F821 HydrophobicContact CZ2-CD1 4.31Å; W801-F821 HydrophobicContact CZ2-CE1 4.32Å; W801-F821 HydrophobicContact CZ3-CD1 4.15Å; W801-F821 AromaticContact CZ3-CE1 3.74Å; W801-F821 HydrophobicContact CZ3-CE1 3.74Å; N818-F821 WeakPolarHBondContact O-CB 3.33Å; N818-F821 PolarHBondContact O-N 3.01Å; F821-S825 WeakPolarHBondContact O-CB 3.44Å; F821-S825 PolarHBondContact O-N 2.92Å; F821-S825 PolarHBondContact O-OG 3.21Å
822V92.3Very high89.9Confident1 Ų126.8 Ų26.81%0.00615%0.153CC..Hα-helixtrans-62-52.5179169.10000110.2I813 N818 A819 N824 S825 V826 I886 T890I813-V822 HydrophobicContact CG2-CG1 4.37Å; I813-V822 HydrophobicContact CG2-CG2 3.91Å; N818-V822 WeakPolarHBondContact O-CG2 3.49Å; N818-V822 PolarHBondContact O-N 2.87Å; A819-V822 PolarHBondContact O-N 3.21Å; V822-N824 PolarHBondContact O-N 3.06Å; V822-S825 PolarHBondContact O-N 3.32Å; V822-V826 VanDerWaalsContact O-CG2 3.29Å; V822-V826 WeakPolarHBondContact O-CG2 3.36Å; V822-V826 PolarHBondContact O-N 2.93Å; V822-I886 HydrophobicContact CB-CG2 4.44Å; V822-I886 HydrophobicContact CG1-CG2 3.89Å; V822-T890 HydrophobicContact CG1-CG2 4.03Å; V822-T890 WeakPolarHBondContact CG1-OG1 3.4Å
823V90.2Very high90Very high49 Ų4926 Ų2630%0.29715%0.149SC..Hα-helixtrans-58.3-49.8178170.10000111.2A819 S825 V826 H827A819-V823 WeakPolarHBondContact O-CB 3.45Å; A819-V823 WeakPolarHBondContact O-CG2 3.48Å; A819-V823 PolarHBondContact O-N 2.74Å; V823-S825 VanDerWaalsContact C-N 3.34Å; V823-S825 PolarHBondContact O-N 2.92Å; V823-V826 PolarHBondContact O-N 3.48Å; V823-H827 PolarHBondContact O-CD2 3.06Å; V823-H827 VanDerWaalsContact O-CD2 3.26Å; V823-H827 PolarHBondContact O-N 3.48Å
824N92.4Very high89.9Confident1 Ų126 Ų261%0.00515%0.149CC..Hα-helixtrans-60.3-40.7178.1-77.5-28.2000112.6A731 I732 E735 G737 G738 V820 V822 H827 V828A731-N824 PolarHBondContact O-ND2 3.03Å; I732-N824 HydrophobicContact CB-CB 4.36Å; I732-N824 HydrophobicContact CD1-CB 3.88Å; I732-N824 HydrophobicContact CG2-CB 3.92Å; I732-N824 WeakPolarHBondContact O-CB 3.5Å; I732-N824 PolarHBondContact O-ND2 2.73Å; E735-N824 PolarHBondContact O-ND2 3.43Å; G737-N824 PolarHBondContact N-OD1 3.3Å; G738-N824 PolarHBondContact N-OD1 3.42Å; G738-N824 VanDerWaalsContact N-OD1 3.13Å; V820-N824 VanDerWaalsContact O-CB 3.27Å; V820-N824 WeakPolarHBondContact O-CB 3.37Å; V820-N824 VanDerWaalsContact O-CG 3.27Å; V820-N824 PolarHBondContact O-N 3.08Å; V820-N824 PolarHBondContact O-ND2 3.49Å; V822-N824 PolarHBondContact O-N 3.06Å; N824-H827 WeakPolarHBondContact O-CB 3.4Å; N824-H827 PolarHBondContact O-N 2.94Å; N824-V828 WeakPolarHBondContact O-CG2 3.46Å; N824-V828 PolarHBondContact O-N 3.42Å
825S93.8Very high89.7Confident0 Ų023 Ų230%013%0.133CC..Hα-helixtrans-68.5-40.1178.3-61.40000111.9F821 V822 V823 H827 V828 I829F821-S825 WeakPolarHBondContact O-CB 3.44Å; F821-S825 PolarHBondContact O-N 2.92Å; F821-S825 PolarHBondContact O-OG 3.21Å; V822-S825 PolarHBondContact O-N 3.32Å; V823-S825 VanDerWaalsContact C-N 3.34Å; V823-S825 PolarHBondContact O-N 2.92Å; S825-H827 VanDerWaalsContact C-N 3.33Å; S825-H827 PolarHBondContact O-N 3.07Å; S825-V828 PolarHBondContact O-N 2.86Å; S825-I829 VanDerWaalsContact O-CG1 3.3Å; S825-I829 WeakPolarHBondContact O-CG1 3.27Å; S825-I829 PolarHBondContact O-N 3.18Å
826V91.9Very high89.6Confident1 Ų121.2 Ų21.21%0.00613%0.125CC..Hα-helixtrans-60.4-42.8172.6174.60000110.6V822 V823 V828 I829 S830 I886 V887 F894 L897 I908V822-V826 VanDerWaalsContact O-CG2 3.29Å; V822-V826 WeakPolarHBondContact O-CG2 3.36Å; V822-V826 PolarHBondContact O-N 2.93Å; V823-V826 PolarHBondContact O-N 3.48Å; V826-V828 PolarHBondContact O-N 3.16Å; V826-I829 PolarHBondContact O-N 3Å; V826-S830 WeakPolarHBondContact O-CB 3.35Å; V826-S830 PolarHBondContact O-N 3.45Å; V826-I886 HydrophobicContact CG2-CG2 3.78Å; V826-V887 HydrophobicContact CG2-CG2 4.15Å; V826-F894 HydrophobicContact CG1-CD1 4.34Å; V826-F894 HydrophobicContact CG1-CE1 3.92Å; V826-F894 HydrophobicContact CG1-CZ 4.14Å; V826-F894 HydrophobicContact CG2-CE1 4.1Å; V826-F894 HydrophobicContact CG2-CZ 4.25Å; V826-L897 HydrophobicContact CB-CD1 4.05Å; V826-L897 HydrophobicContact CG1-CD1 3.6Å; V826-I908 HydrophobicContact CG1-CD1 3.69Å; V826-I908 HydrophobicContact CG1-CG2 4.37Å
827H89.6Confident89.6Confident3 Ų316.4 Ų16.41%0.0149%0.091CC..Hα-helixtrans-58.2-46.8172.8-85.7-89.3000112.7W739 V823 N824 S825 S830 Q831 L897 E900W739-H827 HydrophobicContact CB-CB 3.55Å; W739-H827 AromaticContact CD1-CD2 3.27Å; W739-H827 AromaticContact CD1-CE1 3.91Å; W739-H827 AromaticContact CD1-CG 3.43Å; W739-H827 VanDerWaalsContact CD1-CG 3.43Å; W739-H827 AromaticContact CD1-ND1 3.83Å; W739-H827 AromaticContact CD1-NE2 3.58Å; W739-H827 HydrophobicContact CD2-CB 3.93Å; W739-H827 AromaticContact CD2-CE1 3.95Å; W739-H827 AromaticContact CD2-CG 3.73Å; W739-H827 AromaticContact CD2-ND1 3.51Å; W739-H827 AromaticContact CE2-CD2 3.97Å; W739-H827 AromaticContact CE2-CE1 3.23Å; W739-H827 AromaticContact CE2-CG 3.77Å; W739-H827 AromaticContact CE2-ND1 3.3Å; W739-H827 VanDerWaalsContact CE2-ND1 3.3Å; W739-H827 AromaticContact CE2-NE2 3.63Å; W739-H827 HydrophobicContact CG-CB 3.48Å; W739-H827 VanDerWaalsContact CG-CB 3.48Å; W739-H827 AromaticContact CG-CD2 3.88Å; W739-H827 AromaticContact CG-CG 3.55Å; W739-H827 AromaticContact CG-ND1 3.88Å; W739-H827 AromaticContact CZ2-CE1 3.4Å; W739-H827 VanDerWaalsContact CZ2-CE1 3.4Å; W739-H827 WeakPolarHBondContact CZ2-CE1 3.32Å; W739-H827 AromaticContact CZ2-ND1 3.67Å; W739-H827 AromaticContact NE1-CD2 3.31Å; W739-H827 PolarHBondContact NE1-CD2 2.93Å; W739-H827 VanDerWaalsContact NE1-CD2 3.31Å; W739-H827 AromaticContact NE1-CE1 3.19Å; W739-H827 PolarHBondContact NE1-CE1 3.48Å; W739-H827 AromaticContact NE1-CG 3.55Å; W739-H827 AromaticContact NE1-ND1 3.48Å; W739-H827 PolarHBondContact NE1-ND1 3.02Å; W739-H827 AromaticContact NE1-NE2 3.05Å; W739-H827 PolarHBondContact NE1-NE2 3.23Å; V823-H827 PolarHBondContact O-CD2 3.06Å; V823-H827 VanDerWaalsContact O-CD2 3.26Å; V823-H827 PolarHBondContact O-N 3.48Å; N824-H827 WeakPolarHBondContact O-CB 3.4Å; N824-H827 PolarHBondContact O-N 2.94Å; S825-H827 VanDerWaalsContact C-N 3.33Å; S825-H827 PolarHBondContact O-N 3.07Å; H827-S830 PolarHBondContact O-N 2.85Å; H827-Q831 VanDerWaalsContact O-CB 3.28Å; H827-Q831 WeakPolarHBondContact O-CB 3.34Å; H827-Q831 PolarHBondContact O-N 3.47Å; H827-L897 WeakPolarHBondContact NE2-CG 3.46Å; H827-E900 IonicContact CE1-OE2 2.84Å; H827-E900 PolarHBondContact CE1-OE2 3.43Å; H827-E900 IonicContact NE2-OE2 2.8Å; H827-E900 PolarHBondContact NE2-OE2 2.99Å
828V90.3Very high89.4Confident0 Ų010.5 Ų10.50%07%0.065CC..Hα-helixtrans-62.5-43.9-1801710000111.3I732 W739 W742 L787 L790 N824 S825 V826 Q831 S832I732-V828 HydrophobicContact CD1-CG2 3.57Å; I732-V828 HydrophobicContact CG1-CG2 4.39Å; W739-V828 HydrophobicContact CB-CG2 4.37Å; W742-V828 HydrophobicContact CD2-CG2 4.49Å; W742-V828 HydrophobicContact CE3-CG2 4.21Å; L787-V828 HydrophobicContact CD1-CG1 4.42Å; L790-V828 HydrophobicContact CD2-CG1 4.34Å; L790-V828 HydrophobicContact CD2-CG2 4.38Å; N824-V828 WeakPolarHBondContact O-CG2 3.46Å; N824-V828 PolarHBondContact O-N 3.42Å; S825-V828 PolarHBondContact O-N 2.86Å; V826-V828 PolarHBondContact O-N 3.16Å; V828-Q831 PolarHBondContact O-N 3.03Å; V828-S832 VanDerWaalsContact O-CB 3.25Å; V828-S832 WeakPolarHBondContact O-CB 3.2Å; V828-S832 PolarHBondContact O-N 3.31Å; V828-S832 VanDerWaalsContact O-N 3.12Å; V828-S832 PolarHBondContact O-OG 3.09Å
829I90.6Very high88.8Confident4 Ų410.3 Ų10.32%0.0216%0.064CC..Hα-helixtrans-59.4-54.9174.5-66.3162.6000109.7S825 V826 Q831 S832 L833 L879 L882 I886 V887 I912S825-I829 VanDerWaalsContact O-CG1 3.3Å; S825-I829 WeakPolarHBondContact O-CG1 3.27Å; S825-I829 PolarHBondContact O-N 3.18Å; V826-I829 PolarHBondContact O-N 3Å; I829-Q831 VanDerWaalsContact C-N 3.3Å; I829-Q831 PolarHBondContact O-N 3.45Å; I829-S832 PolarHBondContact O-N 2.89Å; I829-S832 VanDerWaalsContact O-N 3.08Å; I829-L833 HydrophobicContact CG2-CD2 4.12Å; I829-L833 WeakPolarHBondContact O-CD2 3.25Å; I829-L833 PolarHBondContact O-N 2.69Å; I829-L879 HydrophobicContact CB-CD2 4.41Å; I829-L879 HydrophobicContact CG1-CD2 4.07Å; I829-L879 HydrophobicContact CG2-CD2 4.46Å; I829-L882 HydrophobicContact CD1-CB 3.92Å; I829-L882 HydrophobicContact CG1-CB 4.47Å; I829-I886 HydrophobicContact CD1-CD1 4.28Å; I829-V887 HydrophobicContact CD1-CG2 4.42Å; I829-I912 HydrophobicContact CG2-CD1 4.33Å
830S89.1Confident88.2Confident3 Ų38.7 Ų8.72%0.0215%0.051CC..Hα-helixtrans-60.3-32.6-178.1173.50000113.4V826 H827 K901 Q911V826-S830 WeakPolarHBondContact O-CB 3.35Å; V826-S830 PolarHBondContact O-N 3.45Å; H827-S830 PolarHBondContact O-N 2.85Å; S830-K901 VanDerWaalsContact C-NZ 3.27Å; S830-K901 PolarHBondContact O-NZ 2.83Å; S830-K901 PolarHBondContact OG-NZ 2.82Å; S830-Q911 VanDerWaalsContact CB-OE1 3.31Å; S830-Q911 PolarHBondContact O-NE2 3.13Å; S830-Q911 PolarHBondContact O-OE1 3.14Å; S830-Q911 PolarHBondContact OG-OE1 2.81Å
831Q85.9Confident87.4Confident23 Ų237.2 Ų7.211%0.1074%0.044CC..Hα-helixtrans-80.4-26.2177.1-161.169-1.600112.8W742 I743 H827 V828 I829 N835 T1157W742-Q831 HydrophobicContact CH2-CB 4.39Å; W742-Q831 HydrophobicContact CH2-CG 4.43Å; W742-Q831 HydrophobicContact CZ3-CB 3.89Å; W742-Q831 HydrophobicContact CZ3-CG 3.91Å; I743-Q831 HydrophobicContact CD1-CG 3.81Å; I743-Q831 HydrophobicContact CG1-CG 4.33Å; H827-Q831 VanDerWaalsContact O-CB 3.28Å; H827-Q831 WeakPolarHBondContact O-CB 3.34Å; H827-Q831 PolarHBondContact O-N 3.47Å; V828-Q831 PolarHBondContact O-N 3.03Å; I829-Q831 VanDerWaalsContact C-N 3.3Å; I829-Q831 PolarHBondContact O-N 3.45Å; Q831-N835 PolarHBondContact O-ND2 3.09Å; Q831-T1157 HydrophobicContact CG-CG2 4.06Å; Q831-T1157 VanDerWaalsContact NE2-CG2 3.32Å; Q831-T1157 PolarHBondContact NE2-OG1 3.27Å
832S87.1Confident86.5Confident1 Ų17.8 Ų7.81%0.0075%0.05CC..Hα-helixtrans-89.9-43.2-174.2-60.40000113.2W742 V828 I829 D834 N835 F836W742-S832 WeakPolarHBondContact CH2-OG 3.3Å; V828-S832 VanDerWaalsContact O-CB 3.25Å; V828-S832 WeakPolarHBondContact O-CB 3.2Å; V828-S832 PolarHBondContact O-N 3.31Å; V828-S832 VanDerWaalsContact O-N 3.12Å; V828-S832 PolarHBondContact O-OG 3.09Å; I829-S832 PolarHBondContact O-N 2.89Å; I829-S832 VanDerWaalsContact O-N 3.08Å; S832-D834 PolarHBondContact O-N 3.2Å; S832-N835 WeakPolarHBondContact O-CB 3.33Å; S832-N835 PolarHBondContact O-N 2.87Å; S832-F836 VanDerWaalsContact O-CD2 3.25Å; S832-F836 WeakPolarHBondContact O-CD2 3.43Å; S832-F836 PolarHBondContact O-N 3.01Å
833L91.1Very high85.9Confident0 Ų07.9 Ų7.90%05%0.05CC..Hα-helixtrans-59.1-47.9-16469.594.7000114I829 N835 F836 I837 L879 Q911 I912I829-L833 HydrophobicContact CG2-CD2 4.12Å; I829-L833 WeakPolarHBondContact O-CD2 3.25Å; I829-L833 PolarHBondContact O-N 2.69Å; L833-N835 VanDerWaalsContact C-N 3.26Å; L833-N835 PolarHBondContact O-N 3.23Å; L833-F836 PolarHBondContact O-N 3.43Å; L833-F836 VanDerWaalsContact O-N 3.07Å; L833-I837 HydrophobicContact CD1-CD1 3.9Å; L833-I837 WeakPolarHBondContact O-CG1 3.42Å; L833-I837 PolarHBondContact O-N 3Å; L833-L879 HydrophobicContact CB-CD1 4.23Å; L833-Q911 HydrophobicContact CD1-CB 3.67Å; L833-Q911 HydrophobicContact CD1-CG 4.02Å; L833-Q911 WeakPolarHBondContact CD1-O 3.27Å; L833-Q911 HydrophobicContact CD2-CB 3.75Å; L833-Q911 HydrophobicContact CD2-CG 4.4Å; L833-Q911 HydrophobicContact CG-CB 4.25Å; L833-I912 HydrophobicContact CD2-CD1 4.26Å
834D88.6Confident85Confident4 Ų49.5 Ų9.52%0.0216%0.057CC..Hα-helixtrans-65.6-33.7-176-82.3-41.6000111S832 I837 V838 Q911 R914 G1150 A1154S832-D834 PolarHBondContact O-N 3.2Å; D834-I837 PolarHBondContact O-N 3.24Å; D834-V838 WeakPolarHBondContact O-CG2 3.35Å; D834-V838 PolarHBondContact O-N 2.92Å; D834-Q911 WeakPolarHBondContact OD2-CG 3.37Å; D834-Q911 PolarHBondContact OD2-NE2 2.81Å; D834-R914 IonicContact OD1-CZ 3.15Å; D834-R914 IonicContact OD1-NE 3.27Å; D834-R914 PolarHBondContact OD1-NE 3.03Å; D834-R914 IonicContact OD1-NH2 3.28Å; D834-R914 IonicContact OD2-CZ 2.79Å; D834-R914 IonicContact OD2-NE 2.71Å; D834-R914 IonicContact OD2-NH2 2.67Å; D834-R914 PolarHBondContact OD2-NH2 3.4Å; D834-G1150 WeakPolarHBondContact CB-O 3.33Å; D834-G1150 VanDerWaalsContact CG-CA 3.5Å; D834-G1150 VanDerWaalsContact OD1-CA 3.3Å; D834-G1150 WeakPolarHBondContact OD1-CA 3.39Å; D834-A1154 HydrophobicContact CB-CB 4.24Å
835N86.9Confident83.8Confident6 Ų611.8 Ų11.83%0.0327%0.072CC..Hα-helixtrans-63.7-41.1173.8-71-70.9000111.8W779 Q831 S832 L833 A839 A1154 T1157W779-N835 HydrophobicContact CZ2-CB 3.93Å; Q831-N835 PolarHBondContact O-ND2 3.09Å; S832-N835 WeakPolarHBondContact O-CB 3.33Å; S832-N835 PolarHBondContact O-N 2.87Å; L833-N835 VanDerWaalsContact C-N 3.26Å; L833-N835 PolarHBondContact O-N 3.23Å; N835-A839 WeakPolarHBondContact O-CB 3.48Å; N835-A839 PolarHBondContact O-N 3.35Å; N835-A1154 PolarHBondContact OD1-O 3.01Å; N835-T1157 WeakPolarHBondContact ND2-CG2 3.48Å
836F87.6Confident82.5Confident0 Ų012.9 Ų12.90%08%0.078CC..Hα-helixtrans-73.3-34.3175.4-72.4-70.8000113.2W779 L784 L787 S832 L833 A839 C840 L867 A872 F875 L876 L879W779-F836 HydrophobicContact CE3-CZ 4.4Å; W779-F836 HydrophobicContact CH2-CE1 4.49Å; W779-F836 AromaticContact CH2-CE2 3.91Å; W779-F836 HydrophobicContact CH2-CE2 3.91Å; W779-F836 AromaticContact CH2-CZ 3.65Å; W779-F836 HydrophobicContact CH2-CZ 3.65Å; W779-F836 HydrophobicContact CZ2-CE1 4.26Å; W779-F836 HydrophobicContact CZ2-CE2 4.02Å; W779-F836 AromaticContact CZ2-CZ 3.78Å; W779-F836 HydrophobicContact CZ2-CZ 3.78Å; W779-F836 AromaticContact CZ3-CZ 3.97Å; W779-F836 HydrophobicContact CZ3-CZ 3.97Å; L784-F836 HydrophobicContact CD2-CE1 4.22Å; L784-F836 HydrophobicContact CD2-CZ 4.42Å; L787-F836 HydrophobicContact CD2-CE2 3.35Å; L787-F836 HydrophobicContact CD2-CZ 3.38Å; S832-F836 VanDerWaalsContact O-CD2 3.25Å; S832-F836 WeakPolarHBondContact O-CD2 3.43Å; S832-F836 PolarHBondContact O-N 3.01Å; L833-F836 PolarHBondContact O-N 3.43Å; L833-F836 VanDerWaalsContact O-N 3.07Å; F836-A839 PolarHBondContact O-N 3.29Å; F836-C840 WeakPolarHBondContact O-CB 3.39Å; F836-C840 PolarHBondContact O-N 2.95Å; F836-C840 PolarHBondContact O-SG 3.4Å; F836-L867 HydrophobicContact CD1-CD2 3.61Å; F836-L867 HydrophobicContact CE1-CD2 3.51Å; F836-A872 HydrophobicContact CD1-CB 4.2Å; F836-F875 HydrophobicContact CD1-CB 4.03Å; F836-F875 HydrophobicContact CD2-CB 4.38Å; F836-F875 HydrophobicContact CE1-CB 4.03Å; F836-F875 AromaticContact CE1-CD2 3.97Å; F836-F875 HydrophobicContact CE1-CD2 3.97Å; F836-F875 HydrophobicContact CE1-CG 4.03Å; F836-F875 HydrophobicContact CE2-CB 4.41Å; F836-F875 HydrophobicContact CG-CB 4.23Å; F836-F875 HydrophobicContact CZ-CB 4.25Å; F836-F875 HydrophobicContact CZ-CD1 4.42Å; F836-F875 HydrophobicContact CZ-CD2 4.32Å; F836-F875 HydrophobicContact CZ-CG 4.09Å; F836-L876 HydrophobicContact CB-CD2 3.58Å; F836-L876 HydrophobicContact CB-CG 3.87Å; F836-L879 HydrophobicContact CD2-CD1 4.12Å
837I85.4Confident81.2Confident6 Ų613.5 Ų13.53%0.0318%0.081CC..Hα-helixtrans-61.4-46.8173.6-68.2173.5000110L833 D834 C840 G842 L843 L876 R914 R918L833-I837 HydrophobicContact CD1-CD1 3.9Å; L833-I837 WeakPolarHBondContact O-CG1 3.42Å; L833-I837 PolarHBondContact O-N 3Å; D834-I837 PolarHBondContact O-N 3.24Å; I837-C840 WeakPolarHBondContact O-CB 3.39Å; I837-C840 PolarHBondContact O-N 3.39Å; I837-G842 VanDerWaalsContact O-CA 3.27Å; I837-G842 WeakPolarHBondContact O-CA 3.37Å; I837-G842 PolarHBondContact O-N 2.88Å; I837-L843 HydrophobicContact CG2-CD2 4.36Å; I837-L843 HydrophobicContact CG2-CG 3.96Å; I837-L876 HydrophobicContact CG1-CD1 4.29Å; I837-L876 HydrophobicContact CG1-CD2 3.79Å; I837-R914 HydrophobicContact CD1-CB 3.75Å; I837-R918 HydrophobicContact CG1-CB 4.31Å; I837-R918 HydrophobicContact CG1-CG 4.47Å
838V82.3Confident80.1Confident33 Ų3315.1 Ų15.120%0.210%0.095CC..Hα-helixtrans-65-40.5175.4177.80000111.2D834 C840 G841 G842 R1151 A1154D834-V838 WeakPolarHBondContact O-CG2 3.35Å; D834-V838 PolarHBondContact O-N 2.92Å; V838-C840 PolarHBondContact O-N 3.47Å; V838-G841 PolarHBondContact O-N 2.79Å; V838-G842 PolarHBondContact O-N 3.44Å; V838-R1151 HydrophobicContact CG2-CG 4.41Å; V838-A1154 HydrophobicContact CG2-CB 3.97Å
839A78.1Confident78.8Confident1 Ų117.1 Ų17.11%0.00811%0.112CC..Hα-helixtrans-63.1-24.3174.300000113.6N835 F836 G841 L867 A872N835-A839 WeakPolarHBondContact O-CB 3.48Å; N835-A839 PolarHBondContact O-N 3.35Å; F836-A839 PolarHBondContact O-N 3.29Å; A839-G841 PolarHBondContact O-N 2.83Å; A839-L867 HydrophobicContact CB-CD2 3.96Å; A839-A872 HydrophobicContact CB-CB 4.32Å
840C75.1Confident77.4Confident3 Ų318.7 Ų18.72%0.0212%0.12CC..THydrogen-bonded Turntrans-84.316.5173.1-660000114.3F836 I837 V838 A872 L876 R918F836-C840 WeakPolarHBondContact O-CB 3.39Å; F836-C840 PolarHBondContact O-N 2.95Å; F836-C840 PolarHBondContact O-SG 3.4Å; I837-C840 WeakPolarHBondContact O-CB 3.39Å; I837-C840 PolarHBondContact O-N 3.39Å; V838-C840 PolarHBondContact O-N 3.47Å; C840-A872 WeakPolarHBondContact SG-CB 3.45Å; C840-L876 HydrophobicContact CB-CD1 4.41Å; C840-L876 VanDerWaalsContact SG-CD1 3.5Å; C840-R918 PolarHBondContact O-NH2 3.19Å
841G72.4Confident76.2Confident13 Ų1321.8 Ų21.813%0.13414%0.138CC..THydrogen-bonded Turntrans89.30.1-175.900000114.8V838 A839 P845V838-G841 PolarHBondContact O-N 2.79Å; A839-G841 PolarHBondContact O-N 2.83Å; G841-P845 WeakPolarHBondContact O-CD 3.44Å; G841-P845 WeakPolarHBondContact O-CG 3.37Å
842G76.6Confident74.7Confident12 Ų1222.8 Ų22.812%0.12415%0.148CC..  trans72-178.3-170.800000113.1I837 V838 L846I837-G842 VanDerWaalsContact O-CA 3.27Å; I837-G842 WeakPolarHBondContact O-CA 3.37Å; I837-G842 PolarHBondContact O-N 2.88Å; V838-G842 PolarHBondContact O-N 3.44Å; G842-L846 WeakPolarHBondContact O-CD1 3.49Å
843L79.2Confident73Confident2 Ų228.4 Ų28.41%0.0119%0.185CC..SBendtrans-86.7-36.4-177.8-69.8178.7000113.5I837 L846 L847 R914 V917 R918 L921 F1143 V1147I837-L843 HydrophobicContact CG2-CD2 4.36Å; I837-L843 HydrophobicContact CG2-CG 3.96Å; L843-L846 PolarHBondContact O-N 3.42Å; L843-L847 PolarHBondContact O-N 3.17Å; L843-R914 HydrophobicContact CD1-CB 3.93Å; L843-R914 HydrophobicContact CD1-CG 3.96Å; L843-V917 HydrophobicContact CD1-CB 4.46Å; L843-V917 HydrophobicContact CD1-CG1 4.07Å; L843-V917 HydrophobicContact CD2-CB 4.38Å; L843-V917 HydrophobicContact CD2-CG1 3.68Å; L843-V917 HydrophobicContact CG-CG1 4.44Å; L843-R918 HydrophobicContact CD2-CB 3.72Å; L843-R918 HydrophobicContact CD2-CG 4.34Å; L843-L921 HydrophobicContact CD2-CD1 4.32Å; L843-F1143 HydrophobicContact CD1-CZ 4.48Å; L843-V1147 HydrophobicContact CB-CG1 4.39Å; L843-V1147 HydrophobicContact CB-CG2 3.86Å; L843-V1147 HydrophobicContact CD1-CG2 4.01Å
844L71Confident70.7Confident84 Ų8433.7 Ų33.744%0.4421%0.213SC..Hα-helixtrans-64.9-43.3-170.1-166.366.9000113.9L846 L847 A848 V1147L844-L846 VanDerWaalsContact C-N 3.29Å; L844-L846 PolarHBondContact O-N 2.88Å; L844-L847 PolarHBondContact O-N 3.19Å; L844-A848 PolarHBondContact O-N 2.77Å; L844-V1147 HydrophobicContact CB-CG1 4.45Å
845P67.5Low68.7Low48 Ų4836.8 Ų36.831%0.31223%0.232SC..Hα-helixtrans-64.4-32.1179.1-24.337.4000113.3G841 A848 A849G841-P845 WeakPolarHBondContact O-CD 3.44Å; G841-P845 WeakPolarHBondContact O-CG 3.37Å; P845-A848 PolarHBondContact O-N 2.83Å; P845-A849 WeakPolarHBondContact O-CB 3.34Å; P845-A849 PolarHBondContact O-N 2.83Å
846L65.4Low66.4Low24 Ų2442.8 Ų42.813%0.12626%0.264CS..Hα-helixtrans-72.5-36.6179-61.5158.9000111.8G842 L843 L844 A849 L850 I859 R918 L921G842-L846 WeakPolarHBondContact O-CD1 3.49Å; L843-L846 PolarHBondContact O-N 3.42Å; L844-L846 VanDerWaalsContact C-N 3.29Å; L844-L846 PolarHBondContact O-N 2.88Å; L846-A849 WeakPolarHBondContact O-CB 3.49Å; L846-A849 PolarHBondContact O-N 3.38Å; L846-L850 WeakPolarHBondContact O-CG 3.16Å; L846-L850 PolarHBondContact O-N 2.85Å; L846-I859 HydrophobicContact CD2-CD1 3.82Å; L846-R918 VanDerWaalsContact CD1-NE 3.29Å; L846-L921 HydrophobicContact CB-CD1 3.84Å; L846-L921 HydrophobicContact CD1-CD1 3.8Å; L846-L921 HydrophobicContact CG-CD1 4.45Å
847L66Low64.3Low13 Ų1346.1 Ų46.17%0.06828%0.282CS..Hα-helixtrans-72.5-32.7174.6-73161.6000112.3L843 L844 L850 T851 F958 V961 F1143L843-L847 PolarHBondContact O-N 3.17Å; L844-L847 PolarHBondContact O-N 3.19Å; L847-L850 HydrophobicContact CD2-CD1 4.26Å; L847-L850 PolarHBondContact O-N 3Å; L847-T851 PolarHBondContact O-N 2.76Å; L847-T851 PolarHBondContact O-OG1 3.32Å; L847-F958 HydrophobicContact CD2-CD2 3.93Å; L847-F958 HydrophobicContact CD2-CE2 4.1Å; L847-V961 HydrophobicContact CD2-CG1 3.88Å; L847-F1143 HydrophobicContact CD1-CD1 4.14Å; L847-F1143 HydrophobicContact CD1-CE1 3.15Å; L847-F1143 HydrophobicContact CD1-CZ 3.42Å; L847-F1143 VanDerWaalsContact CD1-CZ 3.42Å
848A65.3Low62.1Low37 Ų3752.3 Ų52.331%0.30632%0.315SS..Hα-helixtrans-63.2-42.6167.800000111L844 P845 L850 T851 S852 L857L844-A848 PolarHBondContact O-N 2.77Å; P845-A848 PolarHBondContact O-N 2.83Å; A848-L850 PolarHBondContact O-N 3.13Å; A848-T851 PolarHBondContact O-N 3.49Å; A848-T851 VanDerWaalsContact O-N 3.12Å; A848-T851 PolarHBondContact O-OG1 3.07Å; A848-S852 WeakPolarHBondContact O-CB 3.48Å; A848-S852 PolarHBondContact O-N 2.9Å; A848-L857 HydrophobicContact CB-CD1 3.76Å
849A62.9Low60.4Low43 Ų4353 Ų5336%0.35532%0.317SS..Hα-helixtrans-62.8-37.6176.100000113P845 L846 T851 L857P845-A849 WeakPolarHBondContact O-CB 3.34Å; P845-A849 PolarHBondContact O-N 2.83Å; L846-A849 WeakPolarHBondContact O-CB 3.49Å; L846-A849 PolarHBondContact O-N 3.38Å; A849-T851 PolarHBondContact O-N 2.88Å; A849-L857 HydrophobicContact CB-CD1 4.44Å
850L61.9Low58.7Low36 Ų3657.9 Ų57.919%0.18835%0.346CS..THydrogen-bonded Turntrans-67.5-15.7174.2-73.4177.3000114.6L846 L847 A848 L921 L962 S965L846-L850 WeakPolarHBondContact O-CG 3.16Å; L846-L850 PolarHBondContact O-N 2.85Å; L847-L850 HydrophobicContact CD2-CD1 4.26Å; L847-L850 PolarHBondContact O-N 3Å; A848-L850 PolarHBondContact O-N 3.13Å; L850-L921 HydrophobicContact CD1-CD2 3.35Å; L850-L921 HydrophobicContact CG-CD2 4.36Å; L850-L962 HydrophobicContact CD1-CD2 3.83Å; L850-S965 WeakPolarHBondContact CD2-OG 3.21Å; L850-S965 WeakPolarHBondContact O-CB 3.33Å; L850-S965 PolarHBondContact O-OG 3.35Å; L850-S965 VanDerWaalsContact O-OG 3.04Å
851T63.5Low57.3Low68 Ų6863.8 Ų63.842%0.41738%0.378SS..THydrogen-bonded Turntrans-116.1-12.9-174.650.90000113.9L847 A848 A849 V961L847-T851 PolarHBondContact O-N 2.76Å; L847-T851 PolarHBondContact O-OG1 3.32Å; A848-T851 PolarHBondContact O-N 3.49Å; A848-T851 VanDerWaalsContact O-N 3.12Å; A848-T851 PolarHBondContact O-OG1 3.07Å; A849-T851 PolarHBondContact O-N 2.88Å; T851-V961 HydrophobicContact CG2-CG1 3.77Å
852S55.2Low56.1Low45 Ų4566.5 Ų66.532%0.31539%0.392SS..  trans-81.4129174.9-179.50000111.5A848 N854A848-S852 WeakPolarHBondContact O-CB 3.48Å; A848-S852 PolarHBondContact O-N 2.9Å; S852-N854 VanDerWaalsContact C-N 3.26Å; S852-N854 PolarHBondContact O-N 3.48Å; S852-N854 PolarHBondContact OG-N 3.46Å; S852-N854 PolarHBondContact OG-O 3.12Å
853P49.9Very low55Low119 Ų11967.4 Ų67.477%0.77340%0.395SS*.SBendtrans-73.3-18.8170.731.1-34.7000112.9
854N44.7Very low54.1Low111 Ų11171.3 Ų71.359%0.59442%0.422SS*.SBendtrans-97.9124.1177.6-68.4-5.3000109.5S852 D856S852-N854 VanDerWaalsContact C-N 3.26Å; S852-N854 PolarHBondContact O-N 3.48Å; S852-N854 PolarHBondContact OG-N 3.46Å; S852-N854 PolarHBondContact OG-O 3.12Å; N854-D856 PolarHBondContact O-N 3.48Å
855T45.6Very low53.9Low68 Ų6867.8 Ų67.842%0.41740%0.404SS..SBendtrans-68.7-8.2179.943.70000114.4L857T855-L857 PolarHBondContact O-N 3.34Å; T855-L857 VanDerWaalsContact O-N 3.12Å
856D38.6Very low53.9Low133 Ų13367.8 Ų67.871%0.71141%0.412SS*.  trans-84.124.6-175.1-51.7-20.7000113N854 D858N854-D856 PolarHBondContact O-N 3.48Å; D856-D858 PolarHBondContact O-N 3.24Å
857L42.7Very low54.5Low70 Ų7066.8 Ų66.837%0.36641%0.407SS..  trans-68.782.5149.2-94.8164.1000106.8A848 A849 T855 I859A848-L857 HydrophobicContact CB-CD1 3.76Å; A849-L857 HydrophobicContact CB-CD1 4.44Å; T855-L857 PolarHBondContact O-N 3.34Å; T855-L857 VanDerWaalsContact O-N 3.12Å; L857-I859 PolarHBondContact O-N 2.99Å
858D40.3Very low55.1Low136 Ų13669.9 Ų69.973%0.72743%0.428SS*.  trans-49.2100.2155.7-83.2-30.6000106.4D856 V860D856-D858 PolarHBondContact O-N 3.24Å; D858-V860 HydrophobicContact CB-CG2 3.71Å; D858-V860 PolarHBondContact O-N 2.95Å
859I46.3Very low55.5Low48 Ų4870.3 Ų70.325%0.24643%0.427CS..  trans-72.768.8158.1-56.6179000104.2L846 L857 D861 F980L846-I859 HydrophobicContact CD2-CD1 3.82Å; L857-I859 PolarHBondContact O-N 2.99Å; I859-D861 PolarHBondContact O-N 2.8Å; I859-F980 HydrophobicContact CD1-CE2 4.16Å; I859-F980 HydrophobicContact CD1-CZ 4.03Å
860V43.4Very low56.3Low102 Ų10277.2 Ų77.262%0.61845%0.449SS*.  trans-45.2130175.7175.60000106.1D858 T862D858-V860 HydrophobicContact CB-CG2 3.71Å; D858-V860 PolarHBondContact O-N 2.95Å; V860-T862 WeakPolarHBondContact O-CA 3.39Å; V860-T862 PolarHBondContact O-N 2.69Å; V860-T862 PolarHBondContact O-OG1 3.06Å; V860-T862 VanDerWaalsContact O-OG1 3.04Å
861D44.1Very low57.3Low128 Ų12878.2 Ų78.268%0.68446%0.456SS*.  trans-4787.7-175.5-109.4-45.4000110.7I859 T863I859-D861 PolarHBondContact O-N 2.8Å; D861-T863 PolarHBondContact O-N 3.03Å; D861-T863 VanDerWaalsContact O-N 3.09Å; D861-T863 PolarHBondContact OD1-OG1 3.39Å
862T48.5Very low58.2Low69 Ų6975 Ų7542%0.42344%0.436SS..  trans-814.3-170.611.60000110.5V860 S864V860-T862 WeakPolarHBondContact O-CA 3.39Å; V860-T862 PolarHBondContact O-N 2.69Å; V860-T862 PolarHBondContact O-OG1 3.06Å; V860-T862 VanDerWaalsContact O-OG1 3.04Å; T862-S864 PolarHBondContact O-N 2.99Å; T862-S864 PolarHBondContact O-OG 3.39Å
863T53.3Low59.5Low32 Ų3274.8 Ų74.820%0.19643%0.431CS..  trans-6731.4172.663.20000113.2D861 Q865 G866 L867 V869D861-T863 PolarHBondContact O-N 3.03Å; D861-T863 VanDerWaalsContact O-N 3.09Å; D861-T863 PolarHBondContact OD1-OG1 3.39Å; T863-Q865 PolarHBondContact O-N 2.81Å; T863-G866 PolarHBondContact O-N 3.34Å; T863-L867 WeakPolarHBondContact CB-O 3.36Å; T863-L867 WeakPolarHBondContact CG2-O 3.3Å; T863-V869 HydrophobicContact CG2-CG2 3.56Å
864S59.1Low61.2Low83 Ų8372.3 Ų72.358%0.5842%0.417SS*.THydrogen-bonded Turntrans-43.6-18.9155.959.60000114.3R778 T862R778-S864 PolarHBondContact NE-O 3.24Å; T862-S864 PolarHBondContact O-N 2.99Å; T862-S864 PolarHBondContact O-OG 3.39Å
865Q67.7Low63.3Low11 Ų1167.6 Ų67.65%0.05139%0.391CS..THydrogen-bonded Turntrans-82.9-3.7173.4-53.6-161.1-000115.6R778 W779 T863R778-Q865 WeakPolarHBondContact CA-O 3.31Å; W779-Q865 PolarHBondContact N-O 3.07Å; T863-Q865 PolarHBondContact O-N 2.81Å
866G68.5Low65.3Low48 Ų4864.5 Ų64.550%0.49537%0.372SS..SBendtrans80.220.217600000116.1T863T863-G866 PolarHBondContact O-N 3.34Å
867L77.7Confident67.7Low2 Ų260.7 Ų60.71%0.0135%0.351CS..  trans-123.8123.1-175.9-177.164.1000111.1W779 L784 F836 A839 T863 V869 V871 A872W779-L867 HydrophobicContact CB-CB 4.12Å; W779-L867 HydrophobicContact CG-CB 4.34Å; W779-L867 HydrophobicContact CG-CD2 4.29Å; L784-L867 HydrophobicContact CD1-CD1 3.49Å; L784-L867 VanDerWaalsContact CD1-CD1 3.49Å; L784-L867 HydrophobicContact CD2-CD1 3.67Å; L784-L867 HydrophobicContact CD2-CD2 4.48Å; L784-L867 HydrophobicContact CG-CD1 4.21Å; F836-L867 HydrophobicContact CD1-CD2 3.61Å; F836-L867 HydrophobicContact CE1-CD2 3.51Å; A839-L867 HydrophobicContact CB-CD2 3.96Å; T863-L867 WeakPolarHBondContact CB-O 3.36Å; T863-L867 WeakPolarHBondContact CG2-O 3.3Å; L867-V869 PolarHBondContact O-N 3.04Å; L867-V871 HydrophobicContact CD1-CB 4.01Å; L867-V871 HydrophobicContact CD1-CG1 3.8Å; L867-A872 HydrophobicContact CD2-CB 3.57Å; L867-A872 HydrophobicContact CG-CB 4.04Å
868P78Confident70Confident79 Ų7959.1 Ų59.151%0.51334%0.34SS..  trans-64135.8175-21.533.1000111.8K870 V871 A872P868-K870 PolarHBondContact O-N 3.03Å; P868-K870 VanDerWaalsContact O-N 3.14Å; P868-V871 HydrophobicContact CB-CG2 4.17Å; P868-V871 HydrophobicContact CG-CG2 4.31Å; P868-V871 WeakPolarHBondContact O-CB 3.33Å; P868-V871 PolarHBondContact O-N 3.12Å; P868-A872 PolarHBondContact O-N 3.49Å; P868-A872 VanDerWaalsContact O-N 3.12Å
869V74.6Confident72.5Confident46 Ų4652.6 Ų52.628%0.27931%0.305SS..Hα-helixtrans-53.8-39.5-176.3-179.30000112.5T863 L867 V871 A872 I873T863-V869 HydrophobicContact CG2-CG2 3.56Å; L867-V869 PolarHBondContact O-N 3.04Å; V869-V871 VanDerWaalsContact C-N 3.31Å; V869-V871 PolarHBondContact O-N 2.73Å; V869-A872 PolarHBondContact O-N 2.67Å; V869-I873 HydrophobicContact CG1-CD1 3.8Å; V869-I873 HydrophobicContact CG1-CG1 4.26Å; V869-I873 WeakPolarHBondContact O-CG1 3.34Å; V869-I873 PolarHBondContact O-N 3.41Å
870K78.2Confident74.5Confident188 Ų18850.4 Ų50.482%0.81729%0.294SS*.Hα-helixtrans-59.3-38176.3-68.3-175.8177.6-179.10113.2P868 S874P868-K870 PolarHBondContact O-N 3.03Å; P868-K870 VanDerWaalsContact O-N 3.14Å; K870-S874 PolarHBondContact O-N 3.04Å; K870-S874 VanDerWaalsContact O-N 3.16Å
871V83.2Confident76.7Confident56 Ų5649.3 Ų49.334%0.33929%0.285SS..Hα-helixtrans-72.1-43.8177.8-178.80000109.8L867 P868 V869 I873 S874 F875L867-V871 HydrophobicContact CD1-CB 4.01Å; L867-V871 HydrophobicContact CD1-CG1 3.8Å; P868-V871 HydrophobicContact CB-CG2 4.17Å; P868-V871 HydrophobicContact CG-CG2 4.31Å; P868-V871 WeakPolarHBondContact O-CB 3.33Å; P868-V871 PolarHBondContact O-N 3.12Å; V869-V871 VanDerWaalsContact C-N 3.31Å; V869-V871 PolarHBondContact O-N 2.73Å; V871-I873 VanDerWaalsContact C-N 3.35Å; V871-I873 PolarHBondContact O-N 3.09Å; V871-S874 WeakPolarHBondContact O-CB 3.45Å; V871-S874 PolarHBondContact O-N 3.42Å; V871-S874 VanDerWaalsContact O-N 3.16Å; V871-F875 HydrophobicContact CG1-CD2 4.04Å; V871-F875 HydrophobicContact CG1-CE2 3.86Å; V871-F875 WeakPolarHBondContact O-CD2 3.34Å; V871-F875 PolarHBondContact O-N 3Å; V871-F875 VanDerWaalsContact O-N 3.11Å
872A83.1Confident79Confident0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-59.6-42.7176.500000112.3F836 A839 C840 L867 P868 V869 S874 F875 L876F836-A872 HydrophobicContact CD1-CB 4.2Å; A839-A872 HydrophobicContact CB-CB 4.32Å; C840-A872 WeakPolarHBondContact SG-CB 3.45Å; L867-A872 HydrophobicContact CD2-CB 3.57Å; L867-A872 HydrophobicContact CG-CB 4.04Å; P868-A872 PolarHBondContact O-N 3.49Å; P868-A872 VanDerWaalsContact O-N 3.12Å; V869-A872 PolarHBondContact O-N 2.67Å; A872-S874 PolarHBondContact O-N 3.16Å; A872-F875 PolarHBondContact O-N 3.47Å; A872-L876 WeakPolarHBondContact O-CG 3.17Å; A872-L876 PolarHBondContact O-N 3.14Å
873I82.3Confident81Confident42 Ų4240.3 Ų40.322%0.21523%0.234CC..Hα-helixtrans-62.1-41.2174.4-69.8171.5000111.4V869 V871 F875 L876 I877V869-I873 HydrophobicContact CG1-CD1 3.8Å; V869-I873 HydrophobicContact CG1-CG1 4.26Å; V869-I873 WeakPolarHBondContact O-CG1 3.34Å; V869-I873 PolarHBondContact O-N 3.41Å; V871-I873 VanDerWaalsContact C-N 3.35Å; V871-I873 PolarHBondContact O-N 3.09Å; I873-F875 VanDerWaalsContact C-N 3.33Å; I873-F875 PolarHBondContact O-N 2.71Å; I873-L876 PolarHBondContact O-N 2.91Å; I873-L876 VanDerWaalsContact O-N 3.15Å; I873-I877 HydrophobicContact CG2-CD1 3.89Å; I873-I877 HydrophobicContact CG2-CG1 4.4Å; I873-I877 WeakPolarHBondContact O-CG1 3.42Å; I873-I877 PolarHBondContact O-N 3.08Å
874S85Confident82.7Confident66 Ų6640.6 Ų40.646%0.46223%0.234SC..Hα-helixtrans-58.8-43.3175.9-176.30000112.1K870 V871 A872 I877 R878K870-S874 PolarHBondContact O-N 3.04Å; K870-S874 VanDerWaalsContact O-N 3.16Å; V871-S874 WeakPolarHBondContact O-CB 3.45Å; V871-S874 PolarHBondContact O-N 3.42Å; V871-S874 VanDerWaalsContact O-N 3.16Å; A872-S874 PolarHBondContact O-N 3.16Å; S874-I877 PolarHBondContact O-N 3.39Å; S874-R878 WeakPolarHBondContact O-CG 3.45Å; S874-R878 PolarHBondContact O-N 3.4Å
875F89.3Confident84.2Confident13 Ų1338.2 Ų38.26%0.05722%0.216CC..Hα-helixtrans-64-41.1172.8-81.6-77.5000112.8L784 L787 L791 F836 V871 A872 I873 I877 R878 L879L784-F875 HydrophobicContact CB-CE2 4.46Å; L784-F875 HydrophobicContact CB-CZ 4.42Å; L784-F875 HydrophobicContact CD2-CD2 4.48Å; L784-F875 HydrophobicContact CD2-CE2 3.86Å; L784-F875 HydrophobicContact CD2-CZ 4.32Å; L787-F875 HydrophobicContact CB-CE1 4.36Å; L787-F875 HydrophobicContact CD2-CD1 3.9Å; L787-F875 HydrophobicContact CD2-CE1 3.86Å; L787-F875 HydrophobicContact CG-CD1 4.3Å; L787-F875 HydrophobicContact CG-CE1 3.93Å; L791-F875 HydrophobicContact CD1-CD1 3.77Å; L791-F875 HydrophobicContact CD1-CE1 4.05Å; F836-F875 HydrophobicContact CD1-CB 4.03Å; F836-F875 HydrophobicContact CD2-CB 4.38Å; F836-F875 HydrophobicContact CE1-CB 4.03Å; F836-F875 AromaticContact CE1-CD2 3.97Å; F836-F875 HydrophobicContact CE1-CD2 3.97Å; F836-F875 HydrophobicContact CE1-CG 4.03Å; F836-F875 HydrophobicContact CE2-CB 4.41Å; F836-F875 HydrophobicContact CG-CB 4.23Å; F836-F875 HydrophobicContact CZ-CB 4.25Å; F836-F875 HydrophobicContact CZ-CD1 4.42Å; F836-F875 HydrophobicContact CZ-CD2 4.32Å; F836-F875 HydrophobicContact CZ-CG 4.09Å; V871-F875 HydrophobicContact CG1-CD2 4.04Å; V871-F875 HydrophobicContact CG1-CE2 3.86Å; V871-F875 WeakPolarHBondContact O-CD2 3.34Å; V871-F875 PolarHBondContact O-N 3Å; V871-F875 VanDerWaalsContact O-N 3.11Å; A872-F875 PolarHBondContact O-N 3.47Å; I873-F875 VanDerWaalsContact C-N 3.33Å; I873-F875 PolarHBondContact O-N 2.71Å; F875-I877 VanDerWaalsContact C-N 3.35Å; F875-I877 PolarHBondContact O-N 3.39Å; F875-R878 PolarHBondContact O-N 3.32Å; F875-L879 WeakPolarHBondContact O-CB 3.49Å; F875-L879 VanDerWaalsContact O-CG 3.31Å; F875-L879 WeakPolarHBondContact O-CG 3.39Å; F875-L879 PolarHBondContact O-N 3.43Å
876L88.3Confident85.4Confident2 Ų237.7 Ų37.71%0.0121%0.214CC..Hα-helixtrans-62.1-39.6176.2-69.3174.6000112.6F836 I837 C840 A872 I873 L879 A880 L915 R918 V919F836-L876 HydrophobicContact CB-CD2 3.58Å; F836-L876 HydrophobicContact CB-CG 3.87Å; I837-L876 HydrophobicContact CG1-CD1 4.29Å; I837-L876 HydrophobicContact CG1-CD2 3.79Å; C840-L876 HydrophobicContact CB-CD1 4.41Å; C840-L876 VanDerWaalsContact SG-CD1 3.5Å; A872-L876 WeakPolarHBondContact O-CG 3.17Å; A872-L876 PolarHBondContact O-N 3.14Å; I873-L876 PolarHBondContact O-N 2.91Å; I873-L876 VanDerWaalsContact O-N 3.15Å; L876-L879 PolarHBondContact O-N 3.39Å; L876-A880 WeakPolarHBondContact O-CB 3.37Å; L876-A880 PolarHBondContact O-N 3.28Å; L876-L915 HydrophobicContact CB-CD1 4.03Å; L876-L915 HydrophobicContact CD2-CD1 3.61Å; L876-L915 HydrophobicContact CG-CD1 4.39Å; L876-R918 HydrophobicContact CD1-CB 4.42Å; L876-R918 HydrophobicContact CD1-CG 3.62Å; L876-V919 HydrophobicContact CB-CG2 4.33Å
877I87.8Confident86.4Confident54 Ų5435.5 Ų35.528%0.27719%0.191SC..Hα-helixtrans-62.7-43.2176.3-67.9165.5000110.7I873 S874 F875 A880 N881 F923I873-I877 HydrophobicContact CG2-CD1 3.89Å; I873-I877 HydrophobicContact CG2-CG1 4.4Å; I873-I877 WeakPolarHBondContact O-CG1 3.42Å; I873-I877 PolarHBondContact O-N 3.08Å; S874-I877 PolarHBondContact O-N 3.39Å; F875-I877 VanDerWaalsContact C-N 3.35Å; F875-I877 PolarHBondContact O-N 3.39Å; I877-A880 PolarHBondContact O-N 2.96Å; I877-N881 VanDerWaalsContact O-CG 3.22Å; I877-N881 PolarHBondContact O-N 3.1Å; I877-N881 PolarHBondContact O-ND2 2.98Å; I877-N881 PolarHBondContact O-OD1 2.85Å; I877-F923 HydrophobicContact CD1-CE2 4.16Å; I877-F923 HydrophobicContact CD1-CZ 4.27Å
878R91.9Very high87Confident36 Ų3636.8 Ų36.814%0.13620%0.196CC..Hα-helixtrans-62.5-47.1175-69177.769.5-170.35.1112S788 L791 E795 S874 F875 A880 N881 L882S788-R878 PolarHBondContact O-NH1 3.27Å; S788-R878 PolarHBondContact O-NH2 2.9Å; S788-R878 VanDerWaalsContact O-NH2 3.15Å; S788-R878 PolarHBondContact OG-NH1 3.19Å; L791-R878 VanDerWaalsContact C-NH2 3.33Å; L791-R878 VanDerWaalsContact CB-NH2 3.28Å; E795-R878 VanDerWaalsContact CD-NH2 3.31Å; E795-R878 IonicContact OE1-CZ 3.93Å; E795-R878 IonicContact OE1-NE 2.71Å; E795-R878 PolarHBondContact OE1-NE 3.31Å; E795-R878 IonicContact OE1-NH2 2.85Å; E795-R878 PolarHBondContact OE1-NH2 3.26Å; E795-R878 IonicContact OE2-CZ 3.11Å; E795-R878 IonicContact OE2-NE 3.5Å; E795-R878 PolarHBondContact OE2-NE 3.03Å; E795-R878 IonicContact OE2-NH2 2.72Å; E795-R878 PolarHBondContact OE2-NH2 3.42Å; S874-R878 WeakPolarHBondContact O-CG 3.45Å; S874-R878 PolarHBondContact O-N 3.4Å; F875-R878 PolarHBondContact O-N 3.32Å; R878-A880 VanDerWaalsContact C-N 3.28Å; R878-A880 PolarHBondContact O-N 2.84Å; R878-N881 PolarHBondContact O-N 3.39Å; R878-L882 WeakPolarHBondContact O-CG 3.38Å; R878-L882 PolarHBondContact O-N 2.86Å
879L92.1Very high87.5Confident0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-61.5-35176.3-69.7174.9000112.5L791 I829 L833 F836 F875 L876 L882 A883 L915L791-L879 HydrophobicContact CD1-CD2 4.33Å; L791-L879 HydrophobicContact CD2-CD2 3.95Å; I829-L879 HydrophobicContact CB-CD2 4.41Å; I829-L879 HydrophobicContact CG1-CD2 4.07Å; I829-L879 HydrophobicContact CG2-CD2 4.46Å; L833-L879 HydrophobicContact CB-CD1 4.23Å; F836-L879 HydrophobicContact CD2-CD1 4.12Å; F875-L879 WeakPolarHBondContact O-CB 3.49Å; F875-L879 VanDerWaalsContact O-CG 3.31Å; F875-L879 WeakPolarHBondContact O-CG 3.39Å; F875-L879 PolarHBondContact O-N 3.43Å; L876-L879 PolarHBondContact O-N 3.39Å; L879-L882 PolarHBondContact O-N 3.36Å; L879-A883 WeakPolarHBondContact O-CB 3.47Å; L879-A883 PolarHBondContact O-N 3.22Å; L879-L915 HydrophobicContact CB-CD2 4.36Å
880A88.7Confident88.2Confident1 Ų131.4 Ų31.41%0.00816%0.164CC..Hα-helixtrans-69-45.1176.100000111.7L876 I877 R878 L882 A883 D884 L915 V919L876-A880 WeakPolarHBondContact O-CB 3.37Å; L876-A880 PolarHBondContact O-N 3.28Å; I877-A880 PolarHBondContact O-N 2.96Å; R878-A880 VanDerWaalsContact C-N 3.28Å; R878-A880 PolarHBondContact O-N 2.84Å; A880-L882 VanDerWaalsContact C-N 3.27Å; A880-L882 PolarHBondContact O-N 3.11Å; A880-A883 PolarHBondContact O-N 2.88Å; A880-A883 VanDerWaalsContact O-N 3.13Å; A880-D884 VanDerWaalsContact O-CG 3.26Å; A880-D884 PolarHBondContact O-N 3.5Å; A880-L915 HydrophobicContact CB-CD1 4.42Å; A880-L915 HydrophobicContact CB-CD2 4.14Å; A880-L915 HydrophobicContact CB-CG 4.17Å; A880-V919 HydrophobicContact CB-CG2 4.21Å
881N89.5Confident88.5Confident80 Ų8026.7 Ų26.743%0.42816%0.16SC..Hα-helixtrans-61.7-35.5174.8-63.4-15.4000112.1I877 R878 V885 R933I877-N881 VanDerWaalsContact O-CG 3.22Å; I877-N881 PolarHBondContact O-N 3.1Å; I877-N881 PolarHBondContact O-ND2 2.98Å; I877-N881 PolarHBondContact O-OD1 2.85Å; R878-N881 PolarHBondContact O-N 3.39Å; N881-V885 PolarHBondContact O-N 3.39Å; N881-R933 PolarHBondContact OD1-NH2 3.31Å
882L92.9Very high88.5Confident6 Ų625.9 Ų25.93%0.03116%0.156CC..Hα-helixtrans-72-35.4173.6-73.3174.6000112.8L791 I794 E795 I798 I829 R878 L879 A880 V885 I886L791-L882 HydrophobicContact CD2-CD1 3.65Å; I794-L882 HydrophobicContact CG2-CD1 4.39Å; I794-L882 HydrophobicContact CG2-CD2 3.82Å; E795-L882 HydrophobicContact CG-CD1 4.33Å; E795-L882 HydrophobicContact CG-CD2 3.87Å; E795-L882 HydrophobicContact CG-CG 4.24Å; I798-L882 HydrophobicContact CD1-CD2 3.47Å; I798-L882 VanDerWaalsContact CD1-CD2 3.47Å; I829-L882 HydrophobicContact CD1-CB 3.92Å; I829-L882 HydrophobicContact CG1-CB 4.47Å; R878-L882 WeakPolarHBondContact O-CG 3.38Å; R878-L882 PolarHBondContact O-N 2.86Å; L879-L882 PolarHBondContact O-N 3.36Å; A880-L882 VanDerWaalsContact C-N 3.27Å; A880-L882 PolarHBondContact O-N 3.11Å; L882-V885 PolarHBondContact O-N 3.25Å; L882-I886 HydrophobicContact CD2-CD1 4.4Å; L882-I886 WeakPolarHBondContact O-CB 3.44Å; L882-I886 WeakPolarHBondContact O-CG1 3.42Å; L882-I886 PolarHBondContact O-N 2.94Å
883A90.2Very high88.5Confident1 Ų131.9 Ų31.91%0.00819%0.188CC..Iπ-helixtrans-65.4-41.2174.600000111.9L879 A880 V885 V887 F888 I912 L915L879-A883 WeakPolarHBondContact O-CB 3.47Å; L879-A883 PolarHBondContact O-N 3.22Å; A880-A883 PolarHBondContact O-N 2.88Å; A880-A883 VanDerWaalsContact O-N 3.13Å; A883-V885 PolarHBondContact O-N 3.06Å; A883-V887 HydrophobicContact CB-CB 4.35Å; A883-V887 HydrophobicContact CB-CG2 4.12Å; A883-V887 WeakPolarHBondContact O-CA 3.47Å; A883-V887 WeakPolarHBondContact O-CB 3.32Å; A883-V887 PolarHBondContact O-N 3.05Å; A883-F888 PolarHBondContact O-N 3.49Å; A883-F888 VanDerWaalsContact O-N 3.12Å; A883-I912 HydrophobicContact CB-CD1 3.7Å; A883-L915 HydrophobicContact CB-CD2 4.46Å
884D89.1Confident88.7Confident38 Ų3830.3 Ų30.320%0.20318%0.18CC..Iπ-helixtrans-56.9-40.1177.1-64.3-15.7000112.9A880 R933A880-D884 VanDerWaalsContact O-CG 3.26Å; A880-D884 PolarHBondContact O-N 3.5Å; D884-R933 VanDerWaalsContact CG-NE 3.26Å; D884-R933 WeakPolarHBondContact OD1-CD 3.34Å; D884-R933 WeakPolarHBondContact OD1-CG 3.38Å; D884-R933 IonicContact OD1-CZ 3.11Å; D884-R933 IonicContact OD1-NE 3.27Å; D884-R933 PolarHBondContact OD1-NE 2.93Å; D884-R933 IonicContact OD1-NH2 2.7Å; D884-R933 IonicContact OD2-CZ 3.05Å; D884-R933 IonicContact OD2-NE 2.69Å; D884-R933 PolarHBondContact OD2-NE 3.35Å; D884-R933 IonicContact OD2-NH2 3.25Å; D884-R933 PolarHBondContact OD2-NH2 3.13Å
885V90.2Very high88.7Confident33 Ų3328 Ų2820%0.217%0.165CC..Iπ-helixtrans-79.5-63.7179.3175.20000109.6I798 L809 I813 N881 L882 A883 G889I798-V885 HydrophobicContact CD1-CB 4.46Å; I798-V885 HydrophobicContact CD1-CG1 3.98Å; I798-V885 HydrophobicContact CG1-CG1 4.18Å; I798-V885 HydrophobicContact CG2-CG1 3.87Å; I798-V885 HydrophobicContact CG2-CG2 4.38Å; L809-V885 HydrophobicContact CD2-CG1 3.72Å; L809-V885 HydrophobicContact CD2-CG2 4.15Å; L809-V885 HydrophobicContact CG-CG1 4.13Å; I813-V885 HydrophobicContact CD1-CG1 3.73Å; I813-V885 VanDerWaalsContact CD1-O 3.22Å; I813-V885 WeakPolarHBondContact CD1-O 3.23Å; N881-V885 PolarHBondContact O-N 3.39Å; L882-V885 PolarHBondContact O-N 3.25Å; A883-V885 PolarHBondContact O-N 3.06Å; V885-G889 WeakPolarHBondContact O-CA 3.4Å; V885-G889 PolarHBondContact O-N 2.91Å
886I92.3Very high88.2Confident1 Ų133.8 Ų33.81%0.00520%0.196CC..Iπ-helixtrans-77.3-50.4-167.2-52.2-179.8000111.7I794 I798 V822 V826 I829 L882 T890I794-I886 HydrophobicContact CG2-CD1 3.93Å; I798-I886 HydrophobicContact CD1-CD1 3.9Å; I798-I886 HydrophobicContact CD1-CG1 3.82Å; V822-I886 HydrophobicContact CB-CG2 4.44Å; V822-I886 HydrophobicContact CG1-CG2 3.89Å; V826-I886 HydrophobicContact CG2-CG2 3.78Å; I829-I886 HydrophobicContact CD1-CD1 4.28Å; L882-I886 HydrophobicContact CD2-CD1 4.4Å; L882-I886 WeakPolarHBondContact O-CB 3.44Å; L882-I886 WeakPolarHBondContact O-CG1 3.42Å; L882-I886 PolarHBondContact O-N 2.94Å; I886-T890 VanDerWaalsContact O-CB 3.27Å; I886-T890 WeakPolarHBondContact O-CB 3.48Å; I886-T890 WeakPolarHBondContact O-CG2 3.4Å; I886-T890 PolarHBondContact O-N 2.98Å
887V90.8Very high87.9Confident1 Ų134.2 Ų34.21%0.00620%0.198CC..Iπ-helixtrans-75.6-43.3-169.5-178.20000111.3V826 I829 A883 F894 I908 M909 I912 R940V826-V887 HydrophobicContact CG2-CG2 4.15Å; I829-V887 HydrophobicContact CD1-CG2 4.42Å; A883-V887 HydrophobicContact CB-CB 4.35Å; A883-V887 HydrophobicContact CB-CG2 4.12Å; A883-V887 WeakPolarHBondContact O-CA 3.47Å; A883-V887 WeakPolarHBondContact O-CB 3.32Å; A883-V887 PolarHBondContact O-N 3.05Å; V887-F894 HydrophobicContact CG1-CE2 3.75Å; V887-F894 HydrophobicContact CG1-CZ 3.95Å; V887-I908 HydrophobicContact CG1-CG2 4.36Å; V887-M909 HydrophobicContact CG1-SD 4.38Å; V887-I912 HydrophobicContact CG1-CG1 4.14Å; V887-I912 HydrophobicContact CG2-CD1 4.47Å; V887-R940 PolarHBondContact O-NE 3.48Å
888F90.4Very high87.9Confident29 Ų2931.9 Ų31.913%0.12719%0.186CC..Hα-helixtrans-83.1-21.4175.1-56.3-37.3000113.2A883 M909 I912 Y932 R933 A936 A937A883-F888 PolarHBondContact O-N 3.49Å; A883-F888 VanDerWaalsContact O-N 3.12Å; F888-M909 HydrophobicContact CE1-CE 4Å; F888-I912 HydrophobicContact CE1-CG2 3.91Å; F888-I912 HydrophobicContact CE2-CG2 4.43Å; F888-I912 HydrophobicContact CZ-CG2 3.48Å; F888-I912 VanDerWaalsContact CZ-CG2 3.48Å; F888-Y932 HydrophobicContact CD2-CE1 4.39Å; F888-R933 HydrophobicContact CE2-CG 4.37Å; F888-A936 HydrophobicContact CD1-CB 3.87Å; F888-A936 HydrophobicContact CD2-CB 3.54Å; F888-A936 HydrophobicContact CE1-CB 3.78Å; F888-A936 HydrophobicContact CE2-CB 3.47Å; F888-A936 VanDerWaalsContact CE2-CB 3.47Å; F888-A936 HydrophobicContact CG-CB 3.76Å; F888-A936 HydrophobicContact CZ-CB 3.58Å; F888-A937 HydrophobicContact CZ-CB 4.44Å
889G86.9Confident87.4Confident7 Ų735.6 Ų35.67%0.07221%0.205CC..Hα-helixtrans-81.1-22.5175.200000114.5I810 N814 V885I810-G889 WeakPolarHBondContact CG1-O 3.42Å; N814-G889 PolarHBondContact ND2-O 3.5Å; V885-G889 WeakPolarHBondContact O-CA 3.4Å; V885-G889 PolarHBondContact O-N 2.91Å
890T90.2Very high86.7Confident5 Ų539.3 Ų39.33%0.03122%0.222CC..  trans-88.5132.5-178.6-168.20000113.4N814 V822 I886 C892 F894 R940N814-T890 WeakPolarHBondContact OD1-CA 3.43Å; V822-T890 HydrophobicContact CG1-CG2 4.03Å; V822-T890 WeakPolarHBondContact CG1-OG1 3.4Å; I886-T890 VanDerWaalsContact O-CB 3.27Å; I886-T890 WeakPolarHBondContact O-CB 3.48Å; I886-T890 WeakPolarHBondContact O-CG2 3.4Å; I886-T890 PolarHBondContact O-N 2.98Å; T890-C892 HydrophobicContact CG2-CB 4.2Å; T890-C892 WeakPolarHBondContact OG1-CB 3.25Å; T890-C892 PolarHBondContact OG1-N 3.47Å; T890-C892 VanDerWaalsContact OG1-N 3.15Å; T890-C892 PolarHBondContact OG1-SG 3.02Å; T890-F894 HydrophobicContact CG2-CE1 3.81Å; T890-F894 HydrophobicContact CG2-CZ 3.64Å; T890-R940 PolarHBondContact O-NH2 2.94Å
891A84Confident86Confident89 Ų8940.7 Ų40.774%0.73623%0.228SC*.  trans-81.53.9168.300000113.1N814 N893N814-A891 PolarHBondContact OD1-N 3.34Å; A891-N893 PolarHBondContact O-N 3.13Å
892C84Confident85.4Confident40 Ų4044.2 Ų44.227%0.2725%0.247SC..  trans-63.2130.4175.9-71.60000111.4T890 F894 R940T890-C892 HydrophobicContact CG2-CB 4.2Å; T890-C892 WeakPolarHBondContact OG1-CB 3.25Å; T890-C892 PolarHBondContact OG1-N 3.47Å; T890-C892 VanDerWaalsContact OG1-N 3.15Å; T890-C892 PolarHBondContact OG1-SG 3.02Å; C892-F894 HydrophobicContact CB-CE1 4.39Å; C892-R940 PolarHBondContact O-NH2 2.94Å
893N83.5Confident84.9Confident125 Ų12544.4 Ų44.467%0.66825%0.248SC*.  trans-67.7136.8165-171.8-23.3000109A891 A895A891-N893 PolarHBondContact O-N 3.13Å; N893-A895 WeakPolarHBondContact OD1-CB 3.42Å; N893-A895 PolarHBondContact OD1-N 3.28Å
894F86.2Confident84.5Confident10 Ų1048.1 Ų48.14%0.04427%0.272CS..  trans-98.4-2.9-177.8-64-34.9000114.4V826 V887 T890 C892 D896 L897 E898 I908 R940V826-F894 HydrophobicContact CG1-CD1 4.34Å; V826-F894 HydrophobicContact CG1-CE1 3.92Å; V826-F894 HydrophobicContact CG1-CZ 4.14Å; V826-F894 HydrophobicContact CG2-CE1 4.1Å; V826-F894 HydrophobicContact CG2-CZ 4.25Å; V887-F894 HydrophobicContact CG1-CE2 3.75Å; V887-F894 HydrophobicContact CG1-CZ 3.95Å; T890-F894 HydrophobicContact CG2-CE1 3.81Å; T890-F894 HydrophobicContact CG2-CZ 3.64Å; C892-F894 HydrophobicContact CB-CE1 4.39Å; F894-D896 VanDerWaalsContact C-N 3.31Å; F894-D896 PolarHBondContact O-N 3.43Å; F894-L897 WeakPolarHBondContact O-CA 3.42Å; F894-L897 VanDerWaalsContact O-CB 3.31Å; F894-L897 WeakPolarHBondContact O-CB 3.35Å; F894-L897 PolarHBondContact O-N 3.04Å; F894-E898 HydrophobicContact CB-CG 4.36Å; F894-E898 WeakPolarHBondContact O-CB 3.5Å; F894-E898 WeakPolarHBondContact O-CG 3.35Å; F894-E898 PolarHBondContact O-N 2.88Å; F894-I908 HydrophobicContact CB-CD1 3.68Å; F894-I908 HydrophobicContact CD1-CD1 4.09Å; F894-I908 HydrophobicContact CD2-CB 4.13Å; F894-I908 HydrophobicContact CD2-CD1 3.85Å; F894-I908 HydrophobicContact CD2-CG2 4.24Å; F894-I908 HydrophobicContact CE2-CD1 4.48Å; F894-I908 HydrophobicContact CE2-CG2 4.22Å; F894-I908 HydrophobicContact CG-CD1 3.62Å; F894-R940 VanDerWaalsContact CD2-NH1 3.34Å; F894-R940 VanDerWaalsContact CE2-NH2 3.33Å
895A83.7Confident84.2Confident17 Ų1749.4 Ų49.414%0.1428%0.279CS..Hα-helixtrans-54.2-43.1-176.700000113.3N893 L897 E898 H899N893-A895 WeakPolarHBondContact OD1-CB 3.42Å; N893-A895 PolarHBondContact OD1-N 3.28Å; A895-L897 PolarHBondContact O-N 2.84Å; A895-E898 PolarHBondContact O-N 2.89Å; A895-H899 WeakPolarHBondContact O-CB 3.45Å; A895-H899 PolarHBondContact O-CD2 3Å; A895-H899 PolarHBondContact O-N 3.4Å
896D80.6Confident83.9Confident134 Ų13447.9 Ų47.972%0.71727%0.27SS*.Hα-helixtrans-63.2-42.5177-65.6-34.3000112F894 E898 E900F894-D896 VanDerWaalsContact C-N 3.31Å; F894-D896 PolarHBondContact O-N 3.43Å; D896-E898 VanDerWaalsContact C-N 3.35Å; D896-E900 VanDerWaalsContact O-CB 3.31Å; D896-E900 WeakPolarHBondContact O-CB 3.24Å; D896-E900 PolarHBondContact O-N 3.05Å
897L81.7Confident83.7Confident11 Ų1147.9 Ų47.96%0.05827%0.27CS..Hα-helixtrans-63.7-42177.3-168.4163.2000110.9V826 H827 F894 A895 E900 K901 I908V826-L897 HydrophobicContact CB-CD1 4.05Å; V826-L897 HydrophobicContact CG1-CD1 3.6Å; H827-L897 WeakPolarHBondContact NE2-CG 3.46Å; F894-L897 WeakPolarHBondContact O-CA 3.42Å; F894-L897 VanDerWaalsContact O-CB 3.31Å; F894-L897 WeakPolarHBondContact O-CB 3.35Å; F894-L897 PolarHBondContact O-N 3.04Å; A895-L897 PolarHBondContact O-N 2.84Å; L897-E900 PolarHBondContact O-N 3.26Å; L897-K901 HydrophobicContact CD2-CD 3.63Å; L897-K901 HydrophobicContact CD2-CG 4.32Å; L897-K901 WeakPolarHBondContact O-CG 3.22Å; L897-K901 PolarHBondContact O-N 3.5Å; L897-I908 HydrophobicContact CB-CD1 4.45Å; L897-I908 HydrophobicContact CD1-CD1 3.88Å; L897-I908 HydrophobicContact CD2-CD1 3.5Å; L897-I908 VanDerWaalsContact CD2-CD1 3.5Å; L897-I908 HydrophobicContact CD2-CG1 4.29Å; L897-I908 HydrophobicContact CG-CD1 4.09Å
898E86.6Confident83.6Confident5 Ų547.9 Ų47.92%0.02327%0.27CS..Hα-helixtrans-68.9-46.1179.7-71.1171.8154.600110.9F894 A895 D896 E900 K901 N902 M903 N905 G906 G907 I908F894-E898 HydrophobicContact CB-CG 4.36Å; F894-E898 WeakPolarHBondContact O-CB 3.5Å; F894-E898 WeakPolarHBondContact O-CG 3.35Å; F894-E898 PolarHBondContact O-N 2.88Å; A895-E898 PolarHBondContact O-N 2.89Å; D896-E898 VanDerWaalsContact C-N 3.35Å; E898-E900 PolarHBondContact O-N 2.98Å; E898-K901 CarbonylContact O-C 3.55Å; E898-K901 PolarHBondContact O-N 3.2Å; E898-K901 VanDerWaalsContact O-N 3.09Å; E898-N902 PolarHBondContact O-N 3.19Å; E898-N902 VanDerWaalsContact O-N 3.15Å; E898-M903 HydrophobicContact CB-CB 3.97Å; E898-M903 HydrophobicContact CG-CB 4.33Å; E898-M903 WeakPolarHBondContact O-CB 3.41Å; E898-M903 PolarHBondContact O-N 2.82Å; E898-N905 VanDerWaalsContact OE2-CA 3.28Å; E898-N905 WeakPolarHBondContact OE2-CA 3.48Å; E898-G906 VanDerWaalsContact CD-N 3.3Å; E898-G906 VanDerWaalsContact OE1-CA 3.29Å; E898-G906 WeakPolarHBondContact OE1-CA 3.45Å; E898-G906 PolarHBondContact OE1-N 3.15Å; E898-G906 PolarHBondContact OE2-N 2.89Å; E898-G907 PolarHBondContact OE1-N 3.33Å; E898-I908 HydrophobicContact CG-CD1 4.16Å; E898-I908 HydrophobicContact CG-CG1 3.86Å; E898-I908 PolarHBondContact OE1-N 3.02Å
899H82.8Confident83.6Confident115 Ų11546.6 Ų46.653%0.53226%0.264SS..Hα-helixtrans-57.6-44.9172.4-77.6-48.9000112.4A895 K901 N902A895-H899 WeakPolarHBondContact O-CB 3.45Å; A895-H899 PolarHBondContact O-CD2 3Å; A895-H899 PolarHBondContact O-N 3.4Å; H899-K901 PolarHBondContact O-N 2.86Å; H899-N902 PolarHBondContact O-N 3.43Å
900E76.6Confident83.8Confident77 Ų7747.2 Ų47.236%0.3627%0.265SS..Hα-helixtrans-60.4-26.8177.8-170.1170.6-125.500112.7W739 R740 H827 D896 L897 E898W739-E900 HydrophobicContact CZ2-CG 4.1Å; W739-E900 WeakPolarHBondContact CZ2-OE2 3.22Å; R740-E900 IonicContact CZ-OE1 2.73Å; R740-E900 VanDerWaalsContact NH1-CD 3.32Å; R740-E900 IonicContact NH1-OE1 2.88Å; R740-E900 PolarHBondContact NH1-OE1 3.36Å; R740-E900 IonicContact NH1-OE2 2.73Å; R740-E900 PolarHBondContact NH1-OE2 3.35Å; R740-E900 VanDerWaalsContact NH2-CD 3.29Å; R740-E900 IonicContact NH2-OE1 3.25Å; R740-E900 PolarHBondContact NH2-OE1 3.46Å; H827-E900 IonicContact CE1-OE2 2.84Å; H827-E900 PolarHBondContact CE1-OE2 3.43Å; H827-E900 IonicContact NE2-OE2 2.8Å; H827-E900 PolarHBondContact NE2-OE2 2.99Å; D896-E900 VanDerWaalsContact O-CB 3.31Å; D896-E900 WeakPolarHBondContact O-CB 3.24Å; D896-E900 PolarHBondContact O-N 3.05Å; L897-E900 PolarHBondContact O-N 3.26Å; E898-E900 PolarHBondContact O-N 2.98Å
901K74.1Confident83.9Confident30 Ų3047 Ų4713%0.1326%0.263CS..THydrogen-bonded Turntrans-95.53.2176.6-65.9-173.969.9168.40114.6S830 L897 E898 H899 M903S830-K901 VanDerWaalsContact C-NZ 3.27Å; S830-K901 PolarHBondContact O-NZ 2.83Å; S830-K901 PolarHBondContact OG-NZ 2.82Å; L897-K901 HydrophobicContact CD2-CD 3.63Å; L897-K901 HydrophobicContact CD2-CG 4.32Å; L897-K901 WeakPolarHBondContact O-CG 3.22Å; L897-K901 PolarHBondContact O-N 3.5Å; E898-K901 CarbonylContact O-C 3.55Å; E898-K901 PolarHBondContact O-N 3.2Å; E898-K901 VanDerWaalsContact O-N 3.09Å; H899-K901 PolarHBondContact O-N 2.86Å; K901-M903 HydrophobicContact CB-CE 4.35Å; K901-M903 HydrophobicContact CB-CG 3.93Å; K901-M903 HydrophobicContact CB-SD 3.92Å; K901-M903 HydrophobicContact CD-CE 4.17Å; K901-M903 HydrophobicContact CD-SD 4.07Å; K901-M903 PolarHBondContact O-N 3.05Å
902N76.9Confident84.2Confident155 Ų15543 Ų4383%0.82923%0.229SC*.THydrogen-bonded Turntrans54.234.6-168.4-59.2-78.2000113.4E898 H899E898-N902 PolarHBondContact O-N 3.19Å; E898-N902 VanDerWaalsContact O-N 3.15Å; H899-N902 PolarHBondContact O-N 3.43Å
903M82.5Confident84.5Confident9 Ų941.1 Ų41.14%0.04422%0.217CC..  trans-90.1146.9171.6-67.4171.916700110.1E898 K901 L1153E898-M903 HydrophobicContact CB-CB 3.97Å; E898-M903 HydrophobicContact CG-CB 4.33Å; E898-M903 WeakPolarHBondContact O-CB 3.41Å; E898-M903 PolarHBondContact O-N 2.82Å; K901-M903 HydrophobicContact CB-CE 4.35Å; K901-M903 HydrophobicContact CB-CG 3.93Å; K901-M903 HydrophobicContact CB-SD 3.92Å; K901-M903 HydrophobicContact CD-CE 4.17Å; K901-M903 HydrophobicContact CD-SD 4.07Å; K901-M903 PolarHBondContact O-N 3.05Å; M903-L1153 HydrophobicContact CE-CD1 3.9Å; M903-L1153 HydrophobicContact CE-CD2 3.68Å; M903-L1153 HydrophobicContact CE-CG 4.34Å; M903-L1153 HydrophobicContact CG-CD2 4.01Å
904P82.2Confident84.9Confident79 Ų7935.3 Ų35.351%0.51319%0.185SC..  trans-71.3148.5165.2-1.216.2000110G906 G907 R910P904-G906 PolarHBondContact O-N 3.35Å; P904-G907 WeakPolarHBondContact O-CA 3.35Å; P904-G907 PolarHBondContact O-N 2.86Å; P904-R910 PolarHBondContact O-NH2 3.5Å
905N81.5Confident85.1Confident65 Ų6534.9 Ų34.935%0.34818%0.184SC..THydrogen-bonded Turntrans-42.1134.8176-6635.9000112.6E898 G907 R910E898-N905 VanDerWaalsContact OE2-CA 3.28Å; E898-N905 WeakPolarHBondContact OE2-CA 3.48Å; N905-G907 VanDerWaalsContact C-N 3.28Å; N905-G907 PolarHBondContact O-N 3.25Å; N905-R910 PolarHBondContact O-NH1 3.2Å
906G84.6Confident85.1Confident2 Ų234.2 Ų34.22%0.02118%0.178CC..THydrogen-bonded Turntrans74.711.8-174.200000114.6E898 P904 I908 M909 R910 Q947E898-G906 VanDerWaalsContact CD-N 3.3Å; E898-G906 VanDerWaalsContact OE1-CA 3.29Å; E898-G906 WeakPolarHBondContact OE1-CA 3.45Å; E898-G906 PolarHBondContact OE1-N 3.15Å; E898-G906 PolarHBondContact OE2-N 2.89Å; P904-G906 PolarHBondContact O-N 3.35Å; G906-I908 VanDerWaalsContact C-N 3.28Å; G906-I908 PolarHBondContact O-N 3.02Å; G906-M909 PolarHBondContact O-N 3.04Å; G906-M909 VanDerWaalsContact O-N 3.14Å; G906-R910 PolarHBondContact O-N 3.15Å; G906-Q947 PolarHBondContact O-NE2 3.05Å
907G87.3Confident85.4Confident0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-56-37.9174.700000113.6E898 P904 N905 R910 Q911E898-G907 PolarHBondContact OE1-N 3.33Å; P904-G907 WeakPolarHBondContact O-CA 3.35Å; P904-G907 PolarHBondContact O-N 2.86Å; N905-G907 VanDerWaalsContact C-N 3.28Å; N905-G907 PolarHBondContact O-N 3.25Å; G907-R910 PolarHBondContact O-N 2.87Å; G907-Q911 WeakPolarHBondContact O-CB 3.41Å; G907-Q911 WeakPolarHBondContact O-CG 3.49Å; G907-Q911 PolarHBondContact O-N 2.83Å
908I89.8Confident85.5Confident2 Ų227.9 Ų27.91%0.0114%0.143CC..Hα-helixtrans-66.4-41.5175.4-58.3180000110.2V826 V887 F894 L897 E898 G906 R910 Q911 I912V826-I908 HydrophobicContact CG1-CD1 3.69Å; V826-I908 HydrophobicContact CG1-CG2 4.37Å; V887-I908 HydrophobicContact CG1-CG2 4.36Å; F894-I908 HydrophobicContact CB-CD1 3.68Å; F894-I908 HydrophobicContact CD1-CD1 4.09Å; F894-I908 HydrophobicContact CD2-CB 4.13Å; F894-I908 HydrophobicContact CD2-CD1 3.85Å; F894-I908 HydrophobicContact CD2-CG2 4.24Å; F894-I908 HydrophobicContact CE2-CD1 4.48Å; F894-I908 HydrophobicContact CE2-CG2 4.22Å; F894-I908 HydrophobicContact CG-CD1 3.62Å; L897-I908 HydrophobicContact CB-CD1 4.45Å; L897-I908 HydrophobicContact CD1-CD1 3.88Å; L897-I908 HydrophobicContact CD2-CD1 3.5Å; L897-I908 VanDerWaalsContact CD2-CD1 3.5Å; L897-I908 HydrophobicContact CD2-CG1 4.29Å; L897-I908 HydrophobicContact CG-CD1 4.09Å; E898-I908 HydrophobicContact CG-CD1 4.16Å; E898-I908 HydrophobicContact CG-CG1 3.86Å; E898-I908 PolarHBondContact OE1-N 3.02Å; G906-I908 VanDerWaalsContact C-N 3.28Å; G906-I908 PolarHBondContact O-N 3.02Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.79Å; I908-Q911 CarbonylContact O-C 3.6Å; I908-Q911 WeakPolarHBondContact O-CA 3.45Å; I908-Q911 VanDerWaalsContact O-CB 3.26Å; I908-Q911 WeakPolarHBondContact O-CB 3.4Å; I908-Q911 PolarHBondContact O-N 3.18Å; I908-Q911 VanDerWaalsContact O-N 3.14Å; I908-I912 HydrophobicContact CG2-CG1 4.32Å; I908-I912 WeakPolarHBondContact O-CG1 3.28Å; I908-I912 PolarHBondContact O-N 3.1Å
909M90Very high84.9Confident1 Ų128.4 Ų28.41%0.00515%0.147CC..Hα-helixtrans-68.2-35.3179-62.9-55.5-67.100112.2V887 F888 G906 I912 L913 A937 R940 D941 L951V887-M909 HydrophobicContact CG1-SD 4.38Å; F888-M909 HydrophobicContact CE1-CE 4Å; G906-M909 PolarHBondContact O-N 3.04Å; G906-M909 VanDerWaalsContact O-N 3.14Å; M909-I912 PolarHBondContact O-N 3.47Å; M909-L913 WeakPolarHBondContact O-CB 3.13Å; M909-L913 PolarHBondContact O-N 2.75Å; M909-A937 WeakPolarHBondContact CE-O 3.32Å; M909-R940 HydrophobicContact CE-CB 3.57Å; M909-R940 HydrophobicContact CE-CG 4.29Å; M909-R940 HydrophobicContact SD-CB 4.47Å; M909-R940 WeakPolarHBondContact SD-CD 3.3Å; M909-D941 WeakPolarHBondContact CG-OD2 3.44Å; M909-L951 HydrophobicContact CB-CD1 3.84Å
910R91.4Very high84.3Confident20 Ų2023 Ų238%0.07512%0.122CC..Hα-helixtrans-62.2-42.2169-73.5-171.6-57.3-85.3-2.1111.7P904 N905 G906 G907 I908 L913 R914 F950 L951 L1146 E1149P904-R910 PolarHBondContact O-NH2 3.5Å; N905-R910 PolarHBondContact O-NH1 3.2Å; G906-R910 PolarHBondContact O-N 3.15Å; G907-R910 PolarHBondContact O-N 2.87Å; I908-R910 VanDerWaalsContact C-N 3.34Å; I908-R910 PolarHBondContact O-N 2.79Å; R910-L913 PolarHBondContact O-N 3.48Å; R910-R914 WeakPolarHBondContact O-CG 3.44Å; R910-R914 PolarHBondContact O-N 2.97Å; R910-F950 HydrophobicContact CG-CD1 4.3Å; R910-F950 HydrophobicContact CG-CE1 4.08Å; R910-L951 HydrophobicContact CB-CD2 4.48Å; R910-L951 HydrophobicContact CG-CD2 3.78Å; R910-L1146 HydrophobicContact CB-CD1 3.5Å; R910-L1146 HydrophobicContact CG-CD1 3.69Å; R910-E1149 WeakPolarHBondContact CB-OE2 3.19Å; R910-E1149 IonicContact CZ-OE1 2.64Å; R910-E1149 VanDerWaalsContact CZ-OE1 3.27Å; R910-E1149 VanDerWaalsContact NE-CD 3.31Å; R910-E1149 IonicContact NE-OE1 3.74Å; R910-E1149 PolarHBondContact NE-OE1 3.44Å; R910-E1149 IonicContact NE-OE2 3.82Å; R910-E1149 PolarHBondContact NE-OE2 2.85Å; R910-E1149 VanDerWaalsContact NE-OE2 3.11Å; R910-E1149 IonicContact NH2-OE1 3Å; R910-E1149 PolarHBondContact NH2-OE1 2.88Å
911Q91.6Very high83.9Confident2 Ų220.1 Ų20.11%0.00911%0.109CC..Hα-helixtrans-61.1-45.8172.5-78.7-171.2-40.300113.5S830 L833 D834 G907 I908 L913 R914 L915 L1153S830-Q911 VanDerWaalsContact CB-OE1 3.31Å; S830-Q911 PolarHBondContact O-NE2 3.13Å; S830-Q911 PolarHBondContact O-OE1 3.14Å; S830-Q911 PolarHBondContact OG-OE1 2.81Å; L833-Q911 HydrophobicContact CD1-CB 3.67Å; L833-Q911 HydrophobicContact CD1-CG 4.02Å; L833-Q911 WeakPolarHBondContact CD1-O 3.27Å; L833-Q911 HydrophobicContact CD2-CB 3.75Å; L833-Q911 HydrophobicContact CD2-CG 4.4Å; L833-Q911 HydrophobicContact CG-CB 4.25Å; D834-Q911 WeakPolarHBondContact OD2-CG 3.37Å; D834-Q911 PolarHBondContact OD2-NE2 2.81Å; G907-Q911 WeakPolarHBondContact O-CB 3.41Å; G907-Q911 WeakPolarHBondContact O-CG 3.49Å; G907-Q911 PolarHBondContact O-N 2.83Å; I908-Q911 CarbonylContact O-C 3.6Å; I908-Q911 WeakPolarHBondContact O-CA 3.45Å; I908-Q911 VanDerWaalsContact O-CB 3.26Å; I908-Q911 WeakPolarHBondContact O-CB 3.4Å; I908-Q911 PolarHBondContact O-N 3.18Å; I908-Q911 VanDerWaalsContact O-N 3.14Å; Q911-L913 VanDerWaalsContact C-N 3.33Å; Q911-L913 PolarHBondContact O-N 2.89Å; Q911-R914 WeakPolarHBondContact O-CB 3.31Å; Q911-R914 PolarHBondContact O-N 3.33Å; Q911-L915 PolarHBondContact O-N 3.04Å; Q911-L1153 HydrophobicContact CG-CD1 4.37Å
912I91.2Very high82.9Confident4 Ų421.8 Ų21.82%0.02112%0.123CC..Hα-helixtrans-66.3-35.9178.2-64.5-51.8000111.4I829 L833 A883 V887 F888 I908 M909 R914 L915 A916I829-I912 HydrophobicContact CG2-CD1 4.33Å; L833-I912 HydrophobicContact CD2-CD1 4.26Å; A883-I912 HydrophobicContact CB-CD1 3.7Å; V887-I912 HydrophobicContact CG1-CG1 4.14Å; V887-I912 HydrophobicContact CG2-CD1 4.47Å; F888-I912 HydrophobicContact CE1-CG2 3.91Å; F888-I912 HydrophobicContact CE2-CG2 4.43Å; F888-I912 HydrophobicContact CZ-CG2 3.48Å; F888-I912 VanDerWaalsContact CZ-CG2 3.48Å; I908-I912 HydrophobicContact CG2-CG1 4.32Å; I908-I912 WeakPolarHBondContact O-CG1 3.28Å; I908-I912 PolarHBondContact O-N 3.1Å; M909-I912 PolarHBondContact O-N 3.47Å; I912-R914 PolarHBondContact O-N 2.81Å; I912-L915 HydrophobicContact CD1-CD2 4.13Å; I912-L915 WeakPolarHBondContact O-CB 3.46Å; I912-L915 PolarHBondContact O-N 3.07Å; I912-A916 WeakPolarHBondContact O-CB 3.3Å; I912-A916 PolarHBondContact O-N 3.38Å
913L90.7Very high81.5Confident1 Ų119 Ų191%0.00510%0.104CC..Hα-helixtrans-61.1-44.4171.1-17857.7000111.4M909 R910 Q911 L915 A916 V917 L934 A937 L951 A954 T955 L1146M909-L913 WeakPolarHBondContact O-CB 3.13Å; M909-L913 PolarHBondContact O-N 2.75Å; R910-L913 PolarHBondContact O-N 3.48Å; Q911-L913 VanDerWaalsContact C-N 3.33Å; Q911-L913 PolarHBondContact O-N 2.89Å; L913-L915 VanDerWaalsContact C-N 3.28Å; L913-L915 PolarHBondContact O-N 3.16Å; L913-A916 PolarHBondContact O-N 2.69Å; L913-V917 HydrophobicContact CD1-CG2 4.23Å; L913-V917 HydrophobicContact CG-CG2 4.48Å; L913-V917 WeakPolarHBondContact O-CB 3.41Å; L913-V917 WeakPolarHBondContact O-CG2 3.3Å; L913-V917 PolarHBondContact O-N 3.32Å; L913-L934 HydrophobicContact CD1-CD2 3.68Å; L913-A937 HydrophobicContact CB-CB 4.37Å; L913-A937 HydrophobicContact CD1-CB 4.49Å; L913-L951 HydrophobicContact CB-CD2 4.16Å; L913-L951 HydrophobicContact CD2-CB 4.39Å; L913-L951 HydrophobicContact CD2-CD2 3.66Å; L913-A954 HydrophobicContact CD2-CB 4.03Å; L913-T955 WeakPolarHBondContact CD1-OG1 3.36Å; L913-L1146 HydrophobicContact CD2-CD2 3.81Å; L913-L1146 HydrophobicContact CG-CD2 4Å
914R91.1Very high79.8Confident2 Ų220 Ų201%0.00811%0.111CC..Hα-helixtrans-58.3-39.4173.6-70.5-170.9-80.4-80.85.7112.5D834 I837 L843 R910 Q911 I912 R918 L1146 E1149 G1150D834-R914 IonicContact OD1-CZ 3.15Å; D834-R914 IonicContact OD1-NE 3.27Å; D834-R914 PolarHBondContact OD1-NE 3.03Å; D834-R914 IonicContact OD1-NH2 3.28Å; D834-R914 IonicContact OD2-CZ 2.79Å; D834-R914 IonicContact OD2-NE 2.71Å; D834-R914 IonicContact OD2-NH2 2.67Å; D834-R914 PolarHBondContact OD2-NH2 3.4Å; I837-R914 HydrophobicContact CD1-CB 3.75Å; L843-R914 HydrophobicContact CD1-CB 3.93Å; L843-R914 HydrophobicContact CD1-CG 3.96Å; R910-R914 WeakPolarHBondContact O-CG 3.44Å; R910-R914 PolarHBondContact O-N 2.97Å; Q911-R914 WeakPolarHBondContact O-CB 3.31Å; Q911-R914 PolarHBondContact O-N 3.33Å; I912-R914 PolarHBondContact O-N 2.81Å; R914-R918 PolarHBondContact O-N 2.78Å; R914-L1146 VanDerWaalsContact CD-O 3.29Å; R914-L1146 WeakPolarHBondContact CD-O 3.47Å; R914-L1146 HydrophobicContact CG-CD1 4.39Å; R914-L1146 HydrophobicContact CG-CD2 4.09Å; R914-L1146 HydrophobicContact CG-CG 3.85Å; R914-L1146 PolarHBondContact NH1-O 2.88Å; R914-E1149 IonicContact CZ-OE2 2.93Å; R914-E1149 IonicContact NH1-OE2 3.73Å; R914-E1149 PolarHBondContact NH1-OE2 3.13Å; R914-E1149 IonicContact NH2-OE2 2.67Å; R914-E1149 PolarHBondContact NH2-OE2 3.08Å; R914-G1150 VanDerWaalsContact NE-CA 3.34Å
915L89.3Confident78.1Confident2 Ų220.4 Ų20.41%0.0111%0.109CC..Hα-helixtrans-65.9-50.8176.8177.561.3000111.9L876 L879 A880 A883 Q911 I912 L913 V917 R918 V919L876-L915 HydrophobicContact CB-CD1 4.03Å; L876-L915 HydrophobicContact CD2-CD1 3.61Å; L876-L915 HydrophobicContact CG-CD1 4.39Å; L879-L915 HydrophobicContact CB-CD2 4.36Å; A880-L915 HydrophobicContact CB-CD1 4.42Å; A880-L915 HydrophobicContact CB-CD2 4.14Å; A880-L915 HydrophobicContact CB-CG 4.17Å; A883-L915 HydrophobicContact CB-CD2 4.46Å; Q911-L915 PolarHBondContact O-N 3.04Å; I912-L915 HydrophobicContact CD1-CD2 4.13Å; I912-L915 WeakPolarHBondContact O-CB 3.46Å; I912-L915 PolarHBondContact O-N 3.07Å; L913-L915 VanDerWaalsContact C-N 3.28Å; L913-L915 PolarHBondContact O-N 3.16Å; L915-V917 VanDerWaalsContact C-N 3.31Å; L915-V917 PolarHBondContact O-N 3.44Å; L915-R918 PolarHBondContact O-N 3.25Å; L915-R918 VanDerWaalsContact O-N 3.08Å; L915-V919 HydrophobicContact CD1-CG2 4.12Å; L915-V919 WeakPolarHBondContact O-CG2 3.21Å; L915-V919 PolarHBondContact O-N 3.36Å
916A85Confident76.2Confident2 Ų223.6 Ų23.62%0.01712%0.122CC..Hα-helixtrans-58.1-43177.900000111.8I912 L913 S920 R933 L934I912-A916 WeakPolarHBondContact O-CB 3.3Å; I912-A916 PolarHBondContact O-N 3.38Å; L913-A916 PolarHBondContact O-N 2.69Å; A916-S920 VanDerWaalsContact O-CB 3.26Å; A916-S920 WeakPolarHBondContact O-CB 3.32Å; A916-S920 PolarHBondContact O-N 3.48Å; A916-S920 PolarHBondContact O-OG 3.06Å; A916-R933 HydrophobicContact CB-CB 3.83Å; A916-L934 HydrophobicContact CB-CD2 3.92Å; A916-L934 HydrophobicContact CB-CG 4.49Å
917V86Confident74.3Confident0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-57.9-51.5171.3169.70000110.8L843 L913 L915 V919 S920 L921 L934 F958 F1143L843-V917 HydrophobicContact CD1-CB 4.46Å; L843-V917 HydrophobicContact CD1-CG1 4.07Å; L843-V917 HydrophobicContact CD2-CB 4.38Å; L843-V917 HydrophobicContact CD2-CG1 3.68Å; L843-V917 HydrophobicContact CG-CG1 4.44Å; L913-V917 HydrophobicContact CD1-CG2 4.23Å; L913-V917 HydrophobicContact CG-CG2 4.48Å; L913-V917 WeakPolarHBondContact O-CB 3.41Å; L913-V917 WeakPolarHBondContact O-CG2 3.3Å; L913-V917 PolarHBondContact O-N 3.32Å; L915-V917 VanDerWaalsContact C-N 3.31Å; L915-V917 PolarHBondContact O-N 3.44Å; V917-V919 VanDerWaalsContact C-N 3.33Å; V917-V919 PolarHBondContact O-N 3.19Å; V917-S920 PolarHBondContact O-N 2.78Å; V917-L921 WeakPolarHBondContact O-CG 3.46Å; V917-L921 PolarHBondContact O-N 3.36Å; V917-L934 HydrophobicContact CG2-CD2 4.34Å; V917-F958 HydrophobicContact CB-CE1 4.22Å; V917-F958 HydrophobicContact CB-CE2 4.44Å; V917-F958 HydrophobicContact CB-CZ 4.16Å; V917-F958 HydrophobicContact CG1-CD2 3.93Å; V917-F958 HydrophobicContact CG1-CE1 4.29Å; V917-F958 HydrophobicContact CG1-CE2 3.65Å; V917-F958 HydrophobicContact CG1-CG 4.37Å; V917-F958 HydrophobicContact CG1-CZ 3.81Å; V917-F958 HydrophobicContact CG2-CD1 3.71Å; V917-F958 HydrophobicContact CG2-CD2 4.33Å; V917-F958 HydrophobicContact CG2-CE1 3.85Å; V917-F958 HydrophobicContact CG2-CE2 4.48Å; V917-F958 HydrophobicContact CG2-CG 3.94Å; V917-F958 HydrophobicContact CG2-CZ 4.22Å; V917-F1143 HydrophobicContact CG1-CE2 4.4Å; V917-F1143 HydrophobicContact CG1-CZ 4.08Å; V917-F1143 HydrophobicContact CG2-CE2 4.23Å
918R83.6Confident72.7Confident12 Ų1231.5 Ų31.55%0.04518%0.184CC..Hα-helixtrans-63.6-37.2-175.9-173.356.8-175.7103.4-16.8113.2I837 C840 L843 L846 L876 R914 L915 P922I837-R918 HydrophobicContact CG1-CB 4.31Å; I837-R918 HydrophobicContact CG1-CG 4.47Å; C840-R918 PolarHBondContact O-NH2 3.19Å; L843-R918 HydrophobicContact CD2-CB 3.72Å; L843-R918 HydrophobicContact CD2-CG 4.34Å; L846-R918 VanDerWaalsContact CD1-NE 3.29Å; L876-R918 HydrophobicContact CD1-CB 4.42Å; L876-R918 HydrophobicContact CD1-CG 3.62Å; R914-R918 PolarHBondContact O-N 2.78Å; L915-R918 PolarHBondContact O-N 3.25Å; L915-R918 VanDerWaalsContact O-N 3.08Å; R918-P922 WeakPolarHBondContact O-CD 3.28Å
919V75.1Confident71Confident17 Ų1732.6 Ų32.610%0.10319%0.19CC..Hα-helixtrans-75.2-31.1179.7174.20000111.7L876 A880 L915 V917 L921 P922L876-V919 HydrophobicContact CB-CG2 4.33Å; A880-V919 HydrophobicContact CB-CG2 4.21Å; L915-V919 HydrophobicContact CD1-CG2 4.12Å; L915-V919 WeakPolarHBondContact O-CG2 3.21Å; L915-V919 PolarHBondContact O-N 3.36Å; V917-V919 VanDerWaalsContact C-N 3.33Å; V917-V919 PolarHBondContact O-N 3.19Å; V919-L921 VanDerWaalsContact C-N 3.35Å; V919-L921 PolarHBondContact O-N 2.77Å; V919-P922 VanDerWaalsContact O-CD 3.27Å; V919-P922 WeakPolarHBondContact O-CD 3.41Å
920S70.8Confident69.9Low2 Ų234.2 Ų34.21%0.01420%0.199CC..Hα-helixtrans-73.4-22.1178.9-64.90000114.2A916 V917 D930A916-S920 VanDerWaalsContact O-CB 3.26Å; A916-S920 WeakPolarHBondContact O-CB 3.32Å; A916-S920 PolarHBondContact O-N 3.48Å; A916-S920 PolarHBondContact O-OG 3.06Å; V917-S920 PolarHBondContact O-N 2.78Å; S920-D930 PolarHBondContact OG-N 2.95Å
921L66.8Low69.3Low15 Ų1534.9 Ų34.98%0.07921%0.205CC..THydrogen-bonded Turntrans-65.7-50.5-176.9-71.3163.5000114.5L843 L846 L850 V917 V919 F923 S924 F958 L962L843-L921 HydrophobicContact CD2-CD1 4.32Å; L846-L921 HydrophobicContact CB-CD1 3.84Å; L846-L921 HydrophobicContact CD1-CD1 3.8Å; L846-L921 HydrophobicContact CG-CD1 4.45Å; L850-L921 HydrophobicContact CD1-CD2 3.35Å; L850-L921 HydrophobicContact CG-CD2 4.36Å; V917-L921 WeakPolarHBondContact O-CG 3.46Å; V917-L921 PolarHBondContact O-N 3.36Å; V919-L921 VanDerWaalsContact C-N 3.35Å; V919-L921 PolarHBondContact O-N 2.77Å; L921-F923 PolarHBondContact O-N 2.99Å; L921-S924 PolarHBondContact O-OG 2.69Å; L921-F958 HydrophobicContact CD2-CE2 4.06Å; L921-F958 HydrophobicContact CD2-CZ 4.48Å; L921-F958 HydrophobicContact CG-CE2 4.44Å; L921-L962 HydrophobicContact CD2-CD2 4.43Å
922P54Low68.9Low65 Ų6541.6 Ų41.642%0.42223%0.231SC..THydrogen-bonded Turntrans-75.5-24.4-170-16.933.2000115.1R918 V919R918-P922 WeakPolarHBondContact O-CD 3.28Å; V919-P922 VanDerWaalsContact O-CD 3.27Å; V919-P922 WeakPolarHBondContact O-CD 3.41Å
923F48.1Very low68.7Low97 Ų9742.4 Ų42.443%0.42523%0.234SC..THydrogen-bonded Turntrans-98.314.5-172.1-66.5-71.8000113.8I877 L921 D925 H926I877-F923 HydrophobicContact CD1-CE2 4.16Å; I877-F923 HydrophobicContact CD1-CZ 4.27Å; L921-F923 PolarHBondContact O-N 2.99Å; F923-D925 PolarHBondContact O-N 2.73Å; F923-H926 CarbonylContact O-C 3.31Å; F923-H926 PolarHBondContact O-N 2.92Å
924S46Very low68.6Low29 Ų2942.4 Ų42.420%0.20323%0.234CC..THydrogen-bonded Turntrans-68.2-11.3-168.845.50000114.6L921 R966L921-S924 PolarHBondContact O-OG 2.69Å; S924-R966 VanDerWaalsContact C-CZ 3.47Å; S924-R966 VanDerWaalsContact CB-NH2 3.25Å; S924-R966 VanDerWaalsContact O-CZ 3.22Å; S924-R966 PolarHBondContact O-NH1 3.04Å; S924-R966 PolarHBondContact O-NH2 3.39Å; S924-R966 PolarHBondContact OG-NH2 3.49Å
925D45.7Very low68.4Low89 Ų8945.8 Ų45.848%0.47625%0.249SC..THydrogen-bonded Turntrans-86-20167.6-80.910.2000114.2F923 R966F923-D925 PolarHBondContact O-N 2.73Å; D925-R966 IonicContact OD1-CZ 2.59Å; D925-R966 IonicContact OD1-NH1 3.2Å; D925-R966 PolarHBondContact OD1-NH1 2.75Å; D925-R966 IonicContact OD1-NH2 2.71Å; D925-R966 PolarHBondContact OD1-NH2 3.19Å
926H41.6Very low68.4Low132 Ų13246.6 Ų46.661%0.61126%0.255SS*.THydrogen-bonded Turntrans-111.761.3-176-68.9-28.7000111.6F923 G928F923-H926 CarbonylContact O-C 3.31Å; F923-H926 PolarHBondContact O-N 2.92Å; H926-G928 PolarHBondContact O-N 2.93Å
927S45Very low68.5Low121 Ų12146.5 Ų46.585%0.84626%0.255SS*.THydrogen-bonded Turntrans5311.4152.260.70000119
928G53.2Low68.7Low47 Ų4746.5 Ų46.549%0.48526%0.255SS..  trans-142.256.6-17000000112.3H926 D930H926-G928 PolarHBondContact O-N 2.93Å; G928-D930 PolarHBondContact O-N 3.06Å
929L55.3Low69Low25 Ų2547.9 Ų47.913%0.13126%0.26CS..  trans-59.2134.7158.2-159.394.3000107.4V931 L934 L962 V1075L929-V931 HydrophobicContact CB-CG2 4.35Å; L929-V931 HydrophobicContact CD2-CG2 4.29Å; L929-V931 PolarHBondContact O-N 3.35Å; L929-L934 HydrophobicContact CD2-CD1 4.1Å; L929-L962 HydrophobicContact CD1-CD1 3.63Å; L929-L962 HydrophobicContact CD2-CD1 3.9Å; L929-L962 HydrophobicContact CG-CD1 4.4Å; L929-V1075 HydrophobicContact CB-CG2 4.41Å; L929-V1075 HydrophobicContact CD2-CB 4.29Å; L929-V1075 HydrophobicContact CD2-CG1 3.56Å; L929-V1075 HydrophobicContact CD2-CG2 3.68Å
930D66.8Low69.5Low35 Ų3549.7 Ų49.719%0.18727%0.265CS..  trans-84.968.5-173.3-149-43.1000112.3S920 G928 Y932 R933 L934S920-D930 PolarHBondContact OG-N 2.95Å; G928-D930 PolarHBondContact O-N 3.06Å; D930-Y932 PolarHBondContact O-N 3.3Å; D930-R933 HydrophobicContact CB-CB 4.08Å; D930-R933 HydrophobicContact CB-CG 4.25Å; D930-R933 VanDerWaalsContact CG-CD 3.41Å; D930-R933 VanDerWaalsContact CG-CG 3.46Å; D930-R933 PolarHBondContact O-N 3.45Å; D930-R933 VanDerWaalsContact O-N 3.17Å; D930-R933 WeakPolarHBondContact OD1-CB 3.42Å; D930-R933 VanDerWaalsContact OD1-CG 3.3Å; D930-R933 WeakPolarHBondContact OD1-CG 3.35Å; D930-R933 PolarHBondContact OD1-N 2.93Å; D930-R933 WeakPolarHBondContact OD2-CD 3.4Å; D930-R933 IonicContact OD2-CZ 2.76Å; D930-R933 IonicContact OD2-NE 3.16Å; D930-R933 PolarHBondContact OD2-NE 2.94Å; D930-R933 IonicContact OD2-NH1 2.7Å; D930-R933 PolarHBondContact OD2-NH1 3.46Å; D930-L934 WeakPolarHBondContact O-CG 3.47Å; D930-L934 PolarHBondContact O-N 3.36Å
931V78.3Confident70.1Confident34 Ų3451.5 Ų51.521%0.20628%0.275CS..Hα-helixtrans-57.2-34.7177.3178.70000110.4L929 K935 P1074 L1078L929-V931 HydrophobicContact CB-CG2 4.35Å; L929-V931 HydrophobicContact CD2-CG2 4.29Å; L929-V931 PolarHBondContact O-N 3.35Å; V931-K935 VanDerWaalsContact O-CB 3.25Å; V931-K935 WeakPolarHBondContact O-CB 3.25Å; V931-K935 PolarHBondContact O-N 3.48Å; V931-P1074 WeakPolarHBondContact CG2-O 3.27Å; V931-L1078 HydrophobicContact CB-CD2 4.5Å; V931-L1078 HydrophobicContact CG1-CB 3.73Å; V931-L1078 HydrophobicContact CG1-CD2 3.74Å; V931-L1078 HydrophobicContact CG1-CG 4.27Å
932Y83.4Confident70.7Confident143 Ų14355.6 Ų55.656%0.56130%0.296SS*.Hα-helixtrans-63.1-50.7174.6174.3-99.4000111.4F888 D930 L934 K935 A936F888-Y932 HydrophobicContact CD2-CE1 4.39Å; D930-Y932 PolarHBondContact O-N 3.3Å; Y932-L934 PolarHBondContact O-N 3.36Å; Y932-K935 PolarHBondContact O-N 3.42Å; Y932-A936 WeakPolarHBondContact O-CB 3.23Å; Y932-A936 PolarHBondContact O-N 2.97Å
933R87.5Confident71.6Confident21 Ų2161.5 Ų61.58%0.07932%0.318CS..Hα-helixtrans-61.7-41.5177.4-73.9176.7-177.9141.1-8.3113N881 D884 F888 A916 D930 A937N881-R933 PolarHBondContact OD1-NH2 3.31Å; D884-R933 VanDerWaalsContact CG-NE 3.26Å; D884-R933 WeakPolarHBondContact OD1-CD 3.34Å; D884-R933 WeakPolarHBondContact OD1-CG 3.38Å; D884-R933 IonicContact OD1-CZ 3.11Å; D884-R933 IonicContact OD1-NE 3.27Å; D884-R933 PolarHBondContact OD1-NE 2.93Å; D884-R933 IonicContact OD1-NH2 2.7Å; D884-R933 IonicContact OD2-CZ 3.05Å; D884-R933 IonicContact OD2-NE 2.69Å; D884-R933 PolarHBondContact OD2-NE 3.35Å; D884-R933 IonicContact OD2-NH2 3.25Å; D884-R933 PolarHBondContact OD2-NH2 3.13Å; F888-R933 HydrophobicContact CE2-CG 4.37Å; A916-R933 HydrophobicContact CB-CB 3.83Å; D930-R933 HydrophobicContact CB-CB 4.08Å; D930-R933 HydrophobicContact CB-CG 4.25Å; D930-R933 VanDerWaalsContact CG-CD 3.41Å; D930-R933 VanDerWaalsContact CG-CG 3.46Å; D930-R933 PolarHBondContact O-N 3.45Å; D930-R933 VanDerWaalsContact O-N 3.17Å; D930-R933 WeakPolarHBondContact OD1-CB 3.42Å; D930-R933 VanDerWaalsContact OD1-CG 3.3Å; D930-R933 WeakPolarHBondContact OD1-CG 3.35Å; D930-R933 PolarHBondContact OD1-N 2.93Å; D930-R933 WeakPolarHBondContact OD2-CD 3.4Å; D930-R933 IonicContact OD2-CZ 2.76Å; D930-R933 IonicContact OD2-NE 3.16Å; D930-R933 PolarHBondContact OD2-NE 2.94Å; D930-R933 IonicContact OD2-NH1 2.7Å; D930-R933 PolarHBondContact OD2-NH1 3.46Å; R933-A937 VanDerWaalsContact O-CB 3.23Å; R933-A937 WeakPolarHBondContact O-CB 3.49Å; R933-A937 PolarHBondContact O-N 3.48Å
934L87.3Confident72.7Confident0 Ų060.4 Ų60.40%031%0.314CS..Hα-helixtrans-62.7-43.7175.8-67.5175000111.5L913 A916 V917 L929 D930 Y932 V938 T955 F958 I959 L1078L913-L934 HydrophobicContact CD1-CD2 3.68Å; A916-L934 HydrophobicContact CB-CD2 3.92Å; A916-L934 HydrophobicContact CB-CG 4.49Å; V917-L934 HydrophobicContact CG2-CD2 4.34Å; L929-L934 HydrophobicContact CD2-CD1 4.1Å; D930-L934 WeakPolarHBondContact O-CG 3.47Å; D930-L934 PolarHBondContact O-N 3.36Å; Y932-L934 PolarHBondContact O-N 3.36Å; L934-V938 WeakPolarHBondContact O-CG2 3.39Å; L934-V938 PolarHBondContact O-N 3.14Å; L934-T955 HydrophobicContact CB-CG2 4.2Å; L934-T955 HydrophobicContact CD2-CG2 4.45Å; L934-F958 HydrophobicContact CD1-CD1 4.21Å; L934-F958 HydrophobicContact CD1-CE1 4.11Å; L934-F958 HydrophobicContact CD2-CD1 4.2Å; L934-F958 HydrophobicContact CD2-CE1 4.27Å; L934-I959 HydrophobicContact CD1-CG1 4.43Å; L934-L1078 HydrophobicContact CB-CD2 3.79Å
935K88.9Confident74.1Confident74 Ų7462.5 Ų62.532%0.32233%0.328SS..Hα-helixtrans-63.6-54.4175.5-173.2171.6-177.3158.30111.5V931 Y932 A937 V938 Y939 L1078 E1081V931-K935 VanDerWaalsContact O-CB 3.25Å; V931-K935 WeakPolarHBondContact O-CB 3.25Å; V931-K935 PolarHBondContact O-N 3.48Å; Y932-K935 PolarHBondContact O-N 3.42Å; K935-A937 PolarHBondContact O-N 3.04Å; K935-V938 PolarHBondContact O-N 3.49Å; K935-Y939 HydrophobicContact CG-CD2 3.74Å; K935-Y939 HydrophobicContact CG-CE2 4.12Å; K935-Y939 VanDerWaalsContact O-CD2 3.29Å; K935-Y939 WeakPolarHBondContact O-CD2 3.34Å; K935-Y939 PolarHBondContact O-N 3.49Å; K935-L1078 HydrophobicContact CB-CD1 3.77Å; K935-L1078 HydrophobicContact CB-CD2 4.48Å; K935-L1078 HydrophobicContact CD-CD1 4.2Å; K935-L1078 HydrophobicContact CG-CD1 3.97Å; K935-E1081 WeakPolarHBondContact CE-OE1 3.44Å; K935-E1081 WeakPolarHBondContact CE-OE2 3.33Å; K935-E1081 IonicContact NZ-OE1 2.73Å; K935-E1081 PolarHBondContact NZ-OE1 2.7Å; K935-E1081 IonicContact NZ-OE2 2.67Å; K935-E1081 PolarHBondContact NZ-OE2 3.33Å
936A88.3Confident75.9Confident18 Ų1868.4 Ų68.415%0.14934%0.344CS..Hα-helixtrans-56.8-37.4179.300000111.9F888 Y932 V938 R940F888-A936 HydrophobicContact CD1-CB 3.87Å; F888-A936 HydrophobicContact CD2-CB 3.54Å; F888-A936 HydrophobicContact CE1-CB 3.78Å; F888-A936 HydrophobicContact CE2-CB 3.47Å; F888-A936 VanDerWaalsContact CE2-CB 3.47Å; F888-A936 HydrophobicContact CG-CB 3.76Å; F888-A936 HydrophobicContact CZ-CB 3.58Å; Y932-A936 WeakPolarHBondContact O-CB 3.23Å; Y932-A936 PolarHBondContact O-N 2.97Å; A936-V938 PolarHBondContact O-N 3.06Å; A936-R940 WeakPolarHBondContact O-CB 3.41Å; A936-R940 PolarHBondContact O-N 2.99Å; A936-R940 VanDerWaalsContact O-N 3.09Å
937A88.1Confident78Confident1 Ų163 Ų631%0.00832%0.319CS..Hα-helixtrans-61.8-42174.300000113.4F888 M909 L913 R933 K935 L951F888-A937 HydrophobicContact CZ-CB 4.44Å; M909-A937 WeakPolarHBondContact CE-O 3.32Å; L913-A937 HydrophobicContact CB-CB 4.37Å; L913-A937 HydrophobicContact CD1-CB 4.49Å; R933-A937 VanDerWaalsContact O-CB 3.23Å; R933-A937 WeakPolarHBondContact O-CB 3.49Å; R933-A937 PolarHBondContact O-N 3.48Å; K935-A937 PolarHBondContact O-N 3.04Å; A937-L951 WeakPolarHBondContact O-CD1 3.45Å
938V89Confident79.9Confident0 Ų057.3 Ų57.30%028%0.279CS..Hα-helixtrans-74.6-37.1179.9173.70000112.5L934 K935 A936 C948 L951 A952 T955 I1082 F1086L934-V938 WeakPolarHBondContact O-CG2 3.39Å; L934-V938 PolarHBondContact O-N 3.14Å; K935-V938 PolarHBondContact O-N 3.49Å; A936-V938 PolarHBondContact O-N 3.06Å; V938-C948 PolarHBondContact O-SG 3.09Å; V938-L951 HydrophobicContact CG2-CB 4.19Å; V938-A952 HydrophobicContact CG1-CB 3.95Å; V938-T955 HydrophobicContact CG2-CG2 4.23Å; V938-T955 WeakPolarHBondContact CG2-OG1 3.39Å; V938-I1082 HydrophobicContact CG2-CD1 4.42Å; V938-F1086 HydrophobicContact CG1-CE2 3.93Å; V938-F1086 HydrophobicContact CG1-CZ 4.13Å
939Y89.9Confident81.7Confident40 Ų4057.7 Ų57.716%0.15727%0.269CS..Hα-helixtrans-103.8-11.2-165.1-72.5-90.8000115.9K935 D941 I942 I1082 D1085 F1086K935-Y939 HydrophobicContact CG-CD2 3.74Å; K935-Y939 HydrophobicContact CG-CE2 4.12Å; K935-Y939 VanDerWaalsContact O-CD2 3.29Å; K935-Y939 WeakPolarHBondContact O-CD2 3.34Å; K935-Y939 PolarHBondContact O-N 3.49Å; Y939-D941 PolarHBondContact O-N 3.31Å; Y939-I942 HydrophobicContact CD1-CD1 4.1Å; Y939-I1082 HydrophobicContact CE2-CG1 4Å; Y939-D1085 VanDerWaalsContact CE1-OD2 3.29Å; Y939-D1085 WeakPolarHBondContact CE1-OD2 3.46Å; Y939-D1085 PolarHBondContact OH-OD2 3.27Å; Y939-F1086 HydrophobicContact CE1-CE2 4.21Å
940R86.2Confident83.3Confident56 Ų5658.1 Ų58.121%0.21127%0.269CS..THydrogen-bonded Turntrans-53.8-51.9-179.1-174.8-161.6-179.7-105.2-2.8112.6V887 T890 C892 F894 M909 A936V887-R940 PolarHBondContact O-NE 3.48Å; T890-R940 PolarHBondContact O-NH2 2.94Å; C892-R940 PolarHBondContact O-NH2 2.94Å; F894-R940 VanDerWaalsContact CD2-NH1 3.34Å; F894-R940 VanDerWaalsContact CE2-NH2 3.33Å; M909-R940 HydrophobicContact CE-CB 3.57Å; M909-R940 HydrophobicContact CE-CG 4.29Å; M909-R940 HydrophobicContact SD-CB 4.47Å; M909-R940 WeakPolarHBondContact SD-CD 3.3Å; A936-R940 WeakPolarHBondContact O-CB 3.41Å; A936-R940 PolarHBondContact O-N 2.99Å; A936-R940 VanDerWaalsContact O-N 3.09Å
941D82.1Confident84.5Confident40 Ų4056.5 Ų56.521%0.21426%0.261CS..THydrogen-bonded Turntrans-105.541.4-170.7-58.3-28.8000111.3M909 Y939 E943 E944 C948M909-D941 WeakPolarHBondContact CG-OD2 3.44Å; Y939-D941 PolarHBondContact O-N 3.31Å; D941-E943 PolarHBondContact O-N 3.22Å; D941-E944 PolarHBondContact O-N 2.84Å; D941-C948 VanDerWaalsContact C-SG 3.52Å; D941-C948 PolarHBondContact O-SG 2.92Å
942I80.3Confident85.1Confident100 Ų10054.9 Ų54.951%0.51325%0.251SS..THydrogen-bonded Turntrans-55.6-21.8-172.3-164169.4000114.7Y939 E944 C948Y939-I942 HydrophobicContact CD1-CD1 4.1Å; I942-E944 VanDerWaalsContact C-N 3.31Å; I942-E944 PolarHBondContact O-N 2.75Å; I942-C948 VanDerWaalsContact CA-SG 3.55Å
943E73.1Confident85.5Confident190 Ų19048.4 Ų48.489%0.88823%0.226SC*.THydrogen-bonded Turntrans-62.9-34.7173-57.5-172.7172.500112.1D941 S945D941-E943 PolarHBondContact O-N 3.22Å; E943-S945 PolarHBondContact O-N 2.88Å
944E71.5Confident85.6Confident73 Ų7347.4 Ų47.434%0.34122%0.222SC..SBendtrans-8167.1172.3-69.5-154.7159.800111.6D941 I942 R946 Q947 C948D941-E944 PolarHBondContact O-N 2.84Å; I942-E944 VanDerWaalsContact C-N 3.31Å; I942-E944 PolarHBondContact O-N 2.75Å; E944-R946 VanDerWaalsContact C-N 3.25Å; E944-R946 PolarHBondContact O-N 3.49Å; E944-Q947 HydrophobicContact CB-CB 4.02Å; E944-Q947 WeakPolarHBondContact O-CB 3.4Å; E944-Q947 PolarHBondContact O-N 2.95Å; E944-C948 PolarHBondContact O-N 3.37Å; E944-C948 VanDerWaalsContact O-N 3.14Å
945S74.9Confident85.7Confident73 Ų7347.4 Ų47.451%0.5122%0.222SC..Hα-helixtrans-41.4-42.9-17558.30000116E943 Q949E943-S945 PolarHBondContact O-N 2.88Å; S945-Q949 WeakPolarHBondContact O-CB 3.46Å; S945-Q949 WeakPolarHBondContact O-CG 3.48Å; S945-Q949 PolarHBondContact O-N 3.34Å
946R84.2Confident85.8Confident214 Ų21443.9 Ų43.981%0.80821%0.207SC*.Hα-helixtrans-68.2-37.3179.9-173.5178.1-177.8175.40.6113.1E944 F950E944-R946 VanDerWaalsContact C-N 3.25Å; E944-R946 PolarHBondContact O-N 3.49Å; R946-F950 PolarHBondContact O-N 2.99Å; R946-F950 VanDerWaalsContact O-N 3.15Å
947Q84.2Confident85.9Confident18 Ų1845 Ų458%0.08421%0.207CC..Hα-helixtrans-70.6-45.3178.3170.762.5500110.1G906 E944 Q949 F950 L951G906-Q947 PolarHBondContact O-NE2 3.05Å; E944-Q947 HydrophobicContact CB-CB 4.02Å; E944-Q947 WeakPolarHBondContact O-CB 3.4Å; E944-Q947 PolarHBondContact O-N 2.95Å; Q947-Q949 VanDerWaalsContact C-N 3.34Å; Q947-Q949 PolarHBondContact O-N 3.33Å; Q947-F950 PolarHBondContact O-N 2.88Å; Q947-F950 VanDerWaalsContact O-N 3.17Å; Q947-L951 HydrophobicContact CG-CD1 4.15Å; Q947-L951 WeakPolarHBondContact O-CG 3.3Å; Q947-L951 PolarHBondContact O-N 3.28Å
948C86.4Confident85.9Confident2 Ų245 Ų451%0.01421%0.207CC..Hα-helixtrans-63.3-37.9174.8-68.60000112.6V938 D941 I942 E944 F950 L951 A952 F1086V938-C948 PolarHBondContact O-SG 3.09Å; D941-C948 VanDerWaalsContact C-SG 3.52Å; D941-C948 PolarHBondContact O-SG 2.92Å; I942-C948 VanDerWaalsContact CA-SG 3.55Å; E944-C948 PolarHBondContact O-N 3.37Å; E944-C948 VanDerWaalsContact O-N 3.14Å; C948-F950 PolarHBondContact O-N 2.95Å; C948-L951 PolarHBondContact O-N 3.19Å; C948-A952 WeakPolarHBondContact O-CB 3.11Å; C948-A952 PolarHBondContact O-N 3.47Å; C948-F1086 HydrophobicContact CB-CE1 3.86Å; C948-F1086 HydrophobicContact CB-CZ 3.89Å
949Q89.3Confident85.8Confident55 Ų5545 Ų4526%0.25721%0.207SC..Hα-helixtrans-58.4-42.8171.3-78.3164.212.900112.7S945 Q947 L953 F1086 Y1089S945-Q949 WeakPolarHBondContact O-CB 3.46Å; S945-Q949 WeakPolarHBondContact O-CG 3.48Å; S945-Q949 PolarHBondContact O-N 3.34Å; Q947-Q949 VanDerWaalsContact C-N 3.34Å; Q947-Q949 PolarHBondContact O-N 3.33Å; Q949-L953 VanDerWaalsContact O-CB 3.28Å; Q949-L953 WeakPolarHBondContact O-CB 3.3Å; Q949-L953 PolarHBondContact O-N 3.19Å; Q949-F1086 HydrophobicContact CG-CD1 3.9Å; Q949-F1086 HydrophobicContact CG-CE1 4.29Å; Q949-Y1089 HydrophobicContact CB-CD1 3.92Å; Q949-Y1089 HydrophobicContact CB-CD2 4.1Å; Q949-Y1089 HydrophobicContact CB-CE1 3.78Å; Q949-Y1089 HydrophobicContact CB-CE2 3.98Å; Q949-Y1089 HydrophobicContact CB-CG 4.08Å; Q949-Y1089 HydrophobicContact CG-CD1 3.9Å; Q949-Y1089 HydrophobicContact CG-CD2 3.83Å; Q949-Y1089 HydrophobicContact CG-CE1 4.27Å; Q949-Y1089 HydrophobicContact CG-CE2 4.22Å; Q949-Y1089 HydrophobicContact CG-CG 3.66Å
950F90.3Very high85.7Confident33 Ų3343.3 Ų43.315%0.14520%0.202CC..Hα-helixtrans-66.4-47.2176.5178.7-90.5000112.1R910 R946 Q947 C948 L953 A954 A1142 E1145 L1146R910-F950 HydrophobicContact CG-CD1 4.3Å; R910-F950 HydrophobicContact CG-CE1 4.08Å; R946-F950 PolarHBondContact O-N 2.99Å; R946-F950 VanDerWaalsContact O-N 3.15Å; Q947-F950 PolarHBondContact O-N 2.88Å; Q947-F950 VanDerWaalsContact O-N 3.17Å; C948-F950 PolarHBondContact O-N 2.95Å; F950-L953 PolarHBondContact O-N 3.09Å; F950-A954 PolarHBondContact O-N 3.39Å; F950-A1142 HydrophobicContact CD2-CB 4.09Å; F950-A1142 HydrophobicContact CE2-CB 3.74Å; F950-A1142 HydrophobicContact CZ-CB 4.35Å; F950-A1142 VanDerWaalsContact CZ-O 3.29Å; F950-A1142 WeakPolarHBondContact CZ-O 3.39Å; F950-E1145 HydrophobicContact CZ-CB 4.44Å; F950-E1145 HydrophobicContact CZ-CG 4.45Å; F950-L1146 HydrophobicContact CE1-CB 4.28Å; F950-L1146 HydrophobicContact CE1-CD1 3.96Å; F950-L1146 HydrophobicContact CZ-CB 4.29Å
951L90.9Very high85.6Confident2 Ų241.5 Ų41.51%0.0120%0.197CC..Hα-helixtrans-64-41.3178.1-66.6172.8000111.8M909 R910 L913 A937 V938 Q947 C948 A954 T955M909-L951 HydrophobicContact CB-CD1 3.84Å; R910-L951 HydrophobicContact CB-CD2 4.48Å; R910-L951 HydrophobicContact CG-CD2 3.78Å; L913-L951 HydrophobicContact CB-CD2 4.16Å; L913-L951 HydrophobicContact CD2-CB 4.39Å; L913-L951 HydrophobicContact CD2-CD2 3.66Å; A937-L951 WeakPolarHBondContact O-CD1 3.45Å; V938-L951 HydrophobicContact CG2-CB 4.19Å; Q947-L951 HydrophobicContact CG-CD1 4.15Å; Q947-L951 WeakPolarHBondContact O-CG 3.3Å; Q947-L951 PolarHBondContact O-N 3.28Å; C948-L951 PolarHBondContact O-N 3.19Å; L951-A954 PolarHBondContact O-N 3.13Å; L951-T955 WeakPolarHBondContact O-CB 3.42Å; L951-T955 PolarHBondContact O-N 2.93Å; L951-T955 PolarHBondContact O-OG1 3.41Å
952A90.5Very high85.5Confident0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-58.8-47.4173.600000111.2V938 C948 T955 V956 I1082 F1086 F1090V938-A952 HydrophobicContact CG1-CB 3.95Å; C948-A952 WeakPolarHBondContact O-CB 3.11Å; C948-A952 PolarHBondContact O-N 3.47Å; A952-T955 PolarHBondContact O-N 3.18Å; A952-V956 WeakPolarHBondContact O-CB 3.31Å; A952-V956 WeakPolarHBondContact O-CG2 3.41Å; A952-V956 PolarHBondContact O-N 2.98Å; A952-I1082 HydrophobicContact CB-CG2 3.64Å; A952-F1086 HydrophobicContact CB-CD1 4.29Å; A952-F1086 HydrophobicContact CB-CD2 3.75Å; A952-F1086 HydrophobicContact CB-CE1 4.4Å; A952-F1086 HydrophobicContact CB-CE2 3.88Å; A952-F1086 HydrophobicContact CB-CG 3.97Å; A952-F1086 HydrophobicContact CB-CZ 4.21Å; A952-F1090 HydrophobicContact CB-CZ 4.11Å
953L92.5Very high85.6Confident6 Ų635.2 Ų35.23%0.03116%0.164CC..Hα-helixtrans-62.8-46.3178.8-177.267.4000112.6Q949 F950 T955 V956 Y957 Y1089 F1090 T1093 L1094 A1139 A1142Q949-L953 VanDerWaalsContact O-CB 3.28Å; Q949-L953 WeakPolarHBondContact O-CB 3.3Å; Q949-L953 PolarHBondContact O-N 3.19Å; F950-L953 PolarHBondContact O-N 3.09Å; L953-T955 VanDerWaalsContact C-N 3.35Å; L953-V956 PolarHBondContact O-N 3.48Å; L953-Y957 PolarHBondContact O-N 2.95Å; L953-Y1089 HydrophobicContact CB-CE1 4.26Å; L953-Y1089 HydrophobicContact CD2-CE1 4.44Å; L953-F1090 HydrophobicContact CB-CE1 4.1Å; L953-F1090 HydrophobicContact CD1-CD1 4.1Å; L953-F1090 HydrophobicContact CD1-CE1 3.69Å; L953-T1093 HydrophobicContact CD1-CG2 4.29Å; L953-T1093 HydrophobicContact CD2-CG2 4.1Å; L953-L1094 HydrophobicContact CD1-CD2 4.03Å; L953-A1139 HydrophobicContact CD1-CB 3.42Å; L953-A1139 VanDerWaalsContact CD1-CB 3.42Å; L953-A1139 HydrophobicContact CG-CB 3.86Å; L953-A1142 HydrophobicContact CD2-CB 3.75Å; L953-A1142 HydrophobicContact CG-CB 4.18Å
954A90.1Very high86Confident0 Ų027 Ų270%013%0.126CC..Hα-helixtrans-65.1-37.7175.600000112.2L913 F950 L951 Y957 F958 F1143 L1146L913-A954 HydrophobicContact CD2-CB 4.03Å; F950-A954 PolarHBondContact O-N 3.39Å; L951-A954 PolarHBondContact O-N 3.13Å; A954-Y957 PolarHBondContact O-N 3.32Å; A954-F958 PolarHBondContact O-N 3.35Å; A954-F1143 HydrophobicContact CB-CD2 4.24Å; A954-F1143 WeakPolarHBondContact O-CD2 3.27Å; A954-L1146 HydrophobicContact CB-CD2 4.23Å
955T90.1Very high86.3Confident0 Ų023.6 Ų23.60%011%0.111CC..Hα-helixtrans-68.4-43.6177.3-58.20000111.6L913 L934 V938 L951 A952 L953 Y957 F958 I959 I1082L913-T955 WeakPolarHBondContact CD1-OG1 3.36Å; L934-T955 HydrophobicContact CB-CG2 4.2Å; L934-T955 HydrophobicContact CD2-CG2 4.45Å; V938-T955 HydrophobicContact CG2-CG2 4.23Å; V938-T955 WeakPolarHBondContact CG2-OG1 3.39Å; L951-T955 WeakPolarHBondContact O-CB 3.42Å; L951-T955 PolarHBondContact O-N 2.93Å; L951-T955 PolarHBondContact O-OG1 3.41Å; A952-T955 PolarHBondContact O-N 3.18Å; L953-T955 VanDerWaalsContact C-N 3.35Å; T955-Y957 VanDerWaalsContact C-N 3.32Å; T955-Y957 PolarHBondContact O-N 3.15Å; T955-F958 PolarHBondContact O-N 3.33Å; T955-I959 HydrophobicContact CG2-CD1 3.74Å; T955-I959 HydrophobicContact CG2-CG1 4.33Å; T955-I959 WeakPolarHBondContact O-CB 3.32Å; T955-I959 VanDerWaalsContact O-CG1 3.31Å; T955-I959 WeakPolarHBondContact O-CG1 3.43Å; T955-I959 PolarHBondContact O-N 3.22Å; T955-I1082 HydrophobicContact CG2-CD1 3.78Å
956V90.3Very high86.2Confident0 Ų021.6 Ų21.60%09%0.092CC..Hα-helixtrans-59.1-42.2173.31590000111.1A952 L953 S960 F1079 I1082 I1083 F1090 L1135A952-V956 WeakPolarHBondContact O-CB 3.31Å; A952-V956 WeakPolarHBondContact O-CG2 3.41Å; A952-V956 PolarHBondContact O-N 2.98Å; L953-V956 PolarHBondContact O-N 3.48Å; V956-S960 VanDerWaalsContact O-CB 3.32Å; V956-S960 WeakPolarHBondContact O-CB 3.35Å; V956-S960 PolarHBondContact O-N 3Å; V956-S960 PolarHBondContact O-OG 3.43Å; V956-F1079 HydrophobicContact CB-CE2 4.45Å; V956-F1079 HydrophobicContact CG1-CE2 3.82Å; V956-F1079 HydrophobicContact CG1-CZ 4.32Å; V956-F1079 HydrophobicContact CG2-CE2 4.46Å; V956-I1082 HydrophobicContact CG2-CB 4.19Å; V956-I1082 HydrophobicContact CG2-CG2 3.58Å; V956-I1083 HydrophobicContact CG1-CD1 4.04Å; V956-I1083 HydrophobicContact CG2-CD1 4.07Å; V956-I1083 HydrophobicContact CG2-CG1 4.33Å; V956-F1090 HydrophobicContact CB-CZ 4.26Å; V956-F1090 HydrophobicContact CG2-CE1 4.47Å; V956-F1090 HydrophobicContact CG2-CE2 4.21Å; V956-F1090 HydrophobicContact CG2-CZ 3.74Å; V956-L1135 HydrophobicContact CG1-CD2 4Å
957Y89.9Confident85.9Confident42 Ų4213.2 Ų13.217%0.1656%0.061CC..Hα-helixtrans-60.8-50.7173.6-176.7-106.1000112L953 A954 T955 I959 S960 V961 L1135 A1139 F1143L953-Y957 PolarHBondContact O-N 2.95Å; A954-Y957 PolarHBondContact O-N 3.32Å; T955-Y957 VanDerWaalsContact C-N 3.32Å; T955-Y957 PolarHBondContact O-N 3.15Å; Y957-I959 PolarHBondContact O-N 3Å; Y957-S960 WeakPolarHBondContact O-CB 3.44Å; Y957-S960 PolarHBondContact O-N 3.11Å; Y957-V961 HydrophobicContact CD1-CG2 4.32Å; Y957-V961 HydrophobicContact CE1-CG2 3.91Å; Y957-V961 HydrophobicContact CE2-CG2 4.1Å; Y957-V961 WeakPolarHBondContact O-CG2 3.22Å; Y957-V961 PolarHBondContact O-N 2.98Å; Y957-L1135 WeakPolarHBondContact CD2-O 3.28Å; Y957-A1139 HydrophobicContact CD2-CB 4.12Å; Y957-A1139 HydrophobicContact CG-CB 4.29Å; Y957-F1143 HydrophobicContact CD1-CB 3.48Å; Y957-F1143 VanDerWaalsContact CD1-CB 3.48Å; Y957-F1143 HydrophobicContact CD1-CD1 4.12Å; Y957-F1143 HydrophobicContact CD1-CD2 4.06Å; Y957-F1143 AromaticContact CD1-CG 3.59Å; Y957-F1143 HydrophobicContact CD1-CG 3.59Å; Y957-F1143 HydrophobicContact CE1-CB 4.07Å; Y957-F1143 HydrophobicContact CE1-CD1 4.18Å; Y957-F1143 HydrophobicContact CE1-CG 4.11Å; Y957-F1143 HydrophobicContact CG-CB 4.2Å
958F88Confident85.4Confident0 Ų017.7 Ų17.70%08%0.077CC..Hα-helixtrans-59.1-47.4179.9174.8-123.2000112.5L847 V917 L921 L934 A954 T955 S960 V961 L962 F1143L847-F958 HydrophobicContact CD2-CD2 3.93Å; L847-F958 HydrophobicContact CD2-CE2 4.1Å; V917-F958 HydrophobicContact CB-CE1 4.22Å; V917-F958 HydrophobicContact CB-CE2 4.44Å; V917-F958 HydrophobicContact CB-CZ 4.16Å; V917-F958 HydrophobicContact CG1-CD2 3.93Å; V917-F958 HydrophobicContact CG1-CE1 4.29Å; V917-F958 HydrophobicContact CG1-CE2 3.65Å; V917-F958 HydrophobicContact CG1-CG 4.37Å; V917-F958 HydrophobicContact CG1-CZ 3.81Å; V917-F958 HydrophobicContact CG2-CD1 3.71Å; V917-F958 HydrophobicContact CG2-CD2 4.33Å; V917-F958 HydrophobicContact CG2-CE1 3.85Å; V917-F958 HydrophobicContact CG2-CE2 4.48Å; V917-F958 HydrophobicContact CG2-CG 3.94Å; V917-F958 HydrophobicContact CG2-CZ 4.22Å; L921-F958 HydrophobicContact CD2-CE2 4.06Å; L921-F958 HydrophobicContact CD2-CZ 4.48Å; L921-F958 HydrophobicContact CG-CE2 4.44Å; L934-F958 HydrophobicContact CD1-CD1 4.21Å; L934-F958 HydrophobicContact CD1-CE1 4.11Å; L934-F958 HydrophobicContact CD2-CD1 4.2Å; L934-F958 HydrophobicContact CD2-CE1 4.27Å; A954-F958 PolarHBondContact O-N 3.35Å; T955-F958 PolarHBondContact O-N 3.33Å; F958-S960 VanDerWaalsContact C-N 3.33Å; F958-S960 PolarHBondContact O-N 2.71Å; F958-V961 PolarHBondContact O-N 2.69Å; F958-L962 HydrophobicContact CD1-CD1 3.99Å; F958-L962 HydrophobicContact CD2-CD1 4.24Å; F958-L962 HydrophobicContact CD2-CG 4.24Å; F958-L962 HydrophobicContact CE1-CD1 3.49Å; F958-L962 VanDerWaalsContact CE1-CD1 3.49Å; F958-L962 HydrophobicContact CE1-CG 4.44Å; F958-L962 HydrophobicContact CE2-CD1 3.74Å; F958-L962 HydrophobicContact CE2-CD2 4.19Å; F958-L962 HydrophobicContact CE2-CG 3.81Å; F958-L962 HydrophobicContact CG-CD1 4.37Å; F958-L962 HydrophobicContact CZ-CD1 3.37Å; F958-L962 HydrophobicContact CZ-CD2 4.31Å; F958-L962 HydrophobicContact CZ-CG 3.96Å; F958-L962 WeakPolarHBondContact O-CG 3.47Å; F958-L962 PolarHBondContact O-N 2.84Å; F958-F1143 HydrophobicContact CB-CD2 4.33Å; F958-F1143 HydrophobicContact CB-CE2 3.97Å; F958-F1143 HydrophobicContact CG-CE2 4.5Å
959I87.4Confident84.6Confident0 Ų020.4 Ų20.40%09%0.092CC..Hα-helixtrans-62.5-41.2176.6-67.4171.4000110.6L934 T955 Y957 V961 L962 M963 V1075 L1078 F1079L934-I959 HydrophobicContact CD1-CG1 4.43Å; T955-I959 HydrophobicContact CG2-CD1 3.74Å; T955-I959 HydrophobicContact CG2-CG1 4.33Å; T955-I959 WeakPolarHBondContact O-CB 3.32Å; T955-I959 VanDerWaalsContact O-CG1 3.31Å; T955-I959 WeakPolarHBondContact O-CG1 3.43Å; T955-I959 PolarHBondContact O-N 3.22Å; Y957-I959 PolarHBondContact O-N 3Å; I959-V961 PolarHBondContact O-N 3.26Å; I959-L962 PolarHBondContact O-N 3.08Å; I959-M963 HydrophobicContact CG2-CG 4.01Å; I959-M963 HydrophobicContact CG2-SD 3.6Å; I959-M963 VanDerWaalsContact CG2-SD 3.6Å; I959-M963 WeakPolarHBondContact O-CB 3.4Å; I959-M963 VanDerWaalsContact O-CG 3.26Å; I959-M963 WeakPolarHBondContact O-CG 3.41Å; I959-M963 PolarHBondContact O-N 3.48Å; I959-V1075 HydrophobicContact CB-CG1 4.19Å; I959-V1075 HydrophobicContact CD1-CG1 4.03Å; I959-V1075 HydrophobicContact CG1-CG1 3.74Å; I959-V1075 HydrophobicContact CG2-CB 4.34Å; I959-V1075 HydrophobicContact CG2-CG1 3.5Å; I959-L1078 HydrophobicContact CD1-CD2 3.89Å; I959-L1078 HydrophobicContact CD1-CG 4.11Å; I959-F1079 HydrophobicContact CB-CD2 4.17Å; I959-F1079 HydrophobicContact CG2-CB 3.97Å; I959-F1079 HydrophobicContact CG2-CD2 3.67Å; I959-F1079 HydrophobicContact CG2-CG 4.24Å
960S87.2Confident83.6Confident6 Ų619.2 Ų19.24%0.0429%0.087CC..Hα-helixtrans-59.4-46.8176.3-57.80000111.7V956 Y957 F958 M963 V964 F1079V956-S960 VanDerWaalsContact O-CB 3.32Å; V956-S960 WeakPolarHBondContact O-CB 3.35Å; V956-S960 PolarHBondContact O-N 3Å; V956-S960 PolarHBondContact O-OG 3.43Å; Y957-S960 WeakPolarHBondContact O-CB 3.44Å; Y957-S960 PolarHBondContact O-N 3.11Å; F958-S960 VanDerWaalsContact C-N 3.33Å; F958-S960 PolarHBondContact O-N 2.71Å; S960-M963 PolarHBondContact O-N 2.93Å; S960-V964 WeakPolarHBondContact O-CB 3.39Å; S960-V964 VanDerWaalsContact O-CG2 3.3Å; S960-V964 WeakPolarHBondContact O-CG2 3.48Å; S960-V964 PolarHBondContact O-N 3.29Å; S960-F1079 WeakPolarHBondContact OG-CE2 3.45Å
961V84.8Confident82.6Confident18 Ų1821.5 Ų21.511%0.10910%0.1CC..Hα-helixtrans-61.5-45.5177.6171.50000110.8L847 T851 Y957 F958 I959 S965L847-V961 HydrophobicContact CD2-CG1 3.88Å; T851-V961 HydrophobicContact CG2-CG1 3.77Å; Y957-V961 HydrophobicContact CD1-CG2 4.32Å; Y957-V961 HydrophobicContact CE1-CG2 3.91Å; Y957-V961 HydrophobicContact CE2-CG2 4.1Å; Y957-V961 WeakPolarHBondContact O-CG2 3.22Å; Y957-V961 PolarHBondContact O-N 2.98Å; F958-V961 PolarHBondContact O-N 2.69Å; I959-V961 PolarHBondContact O-N 3.26Å; V961-S965 WeakPolarHBondContact O-CB 3.23Å; V961-S965 PolarHBondContact O-N 2.85Å
962L79.2Confident81.3Confident6 Ų628.8 Ų28.83%0.03113%0.134CC..Hα-helixtrans-61.3-46.4175.8-77.2173.6000112.7L850 L921 L929 F958 I959 S965 R966L850-L962 HydrophobicContact CD1-CD2 3.83Å; L921-L962 HydrophobicContact CD2-CD2 4.43Å; L929-L962 HydrophobicContact CD1-CD1 3.63Å; L929-L962 HydrophobicContact CD2-CD1 3.9Å; L929-L962 HydrophobicContact CG-CD1 4.4Å; F958-L962 HydrophobicContact CD1-CD1 3.99Å; F958-L962 HydrophobicContact CD2-CD1 4.24Å; F958-L962 HydrophobicContact CD2-CG 4.24Å; F958-L962 HydrophobicContact CE1-CD1 3.49Å; F958-L962 VanDerWaalsContact CE1-CD1 3.49Å; F958-L962 HydrophobicContact CE1-CG 4.44Å; F958-L962 HydrophobicContact CE2-CD1 3.74Å; F958-L962 HydrophobicContact CE2-CD2 4.19Å; F958-L962 HydrophobicContact CE2-CG 3.81Å; F958-L962 HydrophobicContact CG-CD1 4.37Å; F958-L962 HydrophobicContact CZ-CD1 3.37Å; F958-L962 HydrophobicContact CZ-CD2 4.31Å; F958-L962 HydrophobicContact CZ-CG 3.96Å; F958-L962 WeakPolarHBondContact O-CG 3.47Å; F958-L962 PolarHBondContact O-N 2.84Å; I959-L962 PolarHBondContact O-N 3.08Å; L962-S965 PolarHBondContact O-N 3.16Å; L962-R966 VanDerWaalsContact O-CB 3.25Å; L962-R966 WeakPolarHBondContact O-CB 3.46Å; L962-R966 VanDerWaalsContact O-CG 3.28Å; L962-R966 WeakPolarHBondContact O-CG 3.37Å; L962-R966 PolarHBondContact O-N 3.47Å
963M82.3Confident79.5Confident1 Ų133.3 Ų33.31%0.00516%0.163CC..Hα-helixtrans-66.2-40.9-178-71.9-179.776.800111.6I959 S960 Y967 L1072 A1076 F1079 V1119 L1122 V1123 L1126I959-M963 HydrophobicContact CG2-CG 4.01Å; I959-M963 HydrophobicContact CG2-SD 3.6Å; I959-M963 VanDerWaalsContact CG2-SD 3.6Å; I959-M963 WeakPolarHBondContact O-CB 3.4Å; I959-M963 VanDerWaalsContact O-CG 3.26Å; I959-M963 WeakPolarHBondContact O-CG 3.41Å; I959-M963 PolarHBondContact O-N 3.48Å; S960-M963 PolarHBondContact O-N 2.93Å; M963-Y967 WeakPolarHBondContact O-CB 3.42Å; M963-Y967 PolarHBondContact O-N 3.26Å; M963-L1072 HydrophobicContact CB-CD2 3.87Å; M963-L1072 HydrophobicContact CE-CB 4.45Å; M963-L1072 HydrophobicContact CE-CD2 4.41Å; M963-L1072 HydrophobicContact CG-CD2 3.92Å; M963-A1076 HydrophobicContact CE-CB 3.84Å; M963-F1079 HydrophobicContact SD-CB 4.48Å; M963-V1119 HydrophobicContact CE-CG1 3.95Å; M963-L1122 HydrophobicContact CE-CD2 3.97Å; M963-L1122 HydrophobicContact CE-CG 4.36Å; M963-V1123 HydrophobicContact CB-CG2 4.05Å; M963-V1123 HydrophobicContact CE-CG2 3.82Å; M963-L1126 HydrophobicContact CB-CD1 4.28Å; M963-L1126 HydrophobicContact SD-CD1 4.27Å
964V82.9Confident77.2Confident17 Ų1736.4 Ų36.410%0.10318%0.184CC..Hα-helixtrans-68.7-42.2175.7171.90000111.4S960 Y967 R968 V1123 L1126S960-V964 WeakPolarHBondContact O-CB 3.39Å; S960-V964 VanDerWaalsContact O-CG2 3.3Å; S960-V964 WeakPolarHBondContact O-CG2 3.48Å; S960-V964 PolarHBondContact O-N 3.29Å; V964-Y967 PolarHBondContact O-N 2.98Å; V964-R968 WeakPolarHBondContact O-CG 3.06Å; V964-R968 PolarHBondContact O-N 3.15Å; V964-V1123 HydrophobicContact CG2-CG1 4.3Å; V964-L1126 HydrophobicContact CG2-CB 3.86Å
965S76.4Confident75Confident3 Ų342.9 Ų42.92%0.02123%0.229CC..Hα-helixtrans-59-55.5174.41670000111.1L850 V961 L962 Y967 R968 D969L850-S965 WeakPolarHBondContact CD2-OG 3.21Å; L850-S965 WeakPolarHBondContact O-CB 3.33Å; L850-S965 PolarHBondContact O-OG 3.35Å; L850-S965 VanDerWaalsContact O-OG 3.04Å; V961-S965 WeakPolarHBondContact O-CB 3.23Å; V961-S965 PolarHBondContact O-N 2.85Å; L962-S965 PolarHBondContact O-N 3.16Å; S965-Y967 VanDerWaalsContact C-N 3.27Å; S965-Y967 PolarHBondContact O-N 3.32Å; S965-R968 WeakPolarHBondContact O-CA 3.25Å; S965-R968 WeakPolarHBondContact O-CB 3.36Å; S965-R968 PolarHBondContact O-N 3.2Å; S965-D969 VanDerWaalsContact O-CG 3.31Å; S965-D969 PolarHBondContact O-N 3.19Å
966R74Confident72.5Confident30 Ų3045.6 Ų45.611%0.11325%0.248CC..Hα-helixtrans-59.2-35.8178.5-75.8-81.2154.5-175.3-8.8113.2S924 D925 L962 I970 L1072S924-R966 VanDerWaalsContact C-CZ 3.47Å; S924-R966 VanDerWaalsContact CB-NH2 3.25Å; S924-R966 VanDerWaalsContact O-CZ 3.22Å; S924-R966 PolarHBondContact O-NH1 3.04Å; S924-R966 PolarHBondContact O-NH2 3.39Å; S924-R966 PolarHBondContact OG-NH2 3.49Å; D925-R966 IonicContact OD1-CZ 2.59Å; D925-R966 IonicContact OD1-NH1 3.2Å; D925-R966 PolarHBondContact OD1-NH1 2.75Å; D925-R966 IonicContact OD1-NH2 2.71Å; D925-R966 PolarHBondContact OD1-NH2 3.19Å; L962-R966 VanDerWaalsContact O-CB 3.25Å; L962-R966 WeakPolarHBondContact O-CB 3.46Å; L962-R966 VanDerWaalsContact O-CG 3.28Å; L962-R966 WeakPolarHBondContact O-CG 3.37Å; L962-R966 PolarHBondContact O-N 3.47Å; R966-I970 WeakPolarHBondContact O-CB 3.44Å; R966-I970 WeakPolarHBondContact O-CD1 3.3Å; R966-I970 VanDerWaalsContact O-CG1 3.24Å; R966-I970 WeakPolarHBondContact O-CG1 3.25Å; R966-I970 PolarHBondContact O-N 3.05Å; R966-L1072 HydrophobicContact CB-CD2 4.12Å
967Y78Confident70Confident38 Ų3851 Ų5115%0.14928%0.283CS..Hα-helixtrans-67.6-39.9174.7179.4-101.5000112.3M963 V964 S965 L971 L1068 V1120 V1123M963-Y967 WeakPolarHBondContact O-CB 3.42Å; M963-Y967 PolarHBondContact O-N 3.26Å; V964-Y967 PolarHBondContact O-N 2.98Å; S965-Y967 VanDerWaalsContact C-N 3.27Å; S965-Y967 PolarHBondContact O-N 3.32Å; Y967-L971 HydrophobicContact CD1-CD1 3.73Å; Y967-L971 HydrophobicContact CD2-CD1 4.41Å; Y967-L971 HydrophobicContact CE1-CD1 3.32Å; Y967-L971 HydrophobicContact CE2-CD1 4.02Å; Y967-L971 HydrophobicContact CG-CD1 4.26Å; Y967-L971 VanDerWaalsContact CZ-CD1 3.47Å; Y967-L971 WeakPolarHBondContact O-CG 3.26Å; Y967-L971 PolarHBondContact O-N 3.27Å; Y967-L1068 HydrophobicContact CD2-CD1 4.06Å; Y967-L1068 HydrophobicContact CD2-CD2 3.58Å; Y967-L1068 HydrophobicContact CD2-CG 4.46Å; Y967-L1068 HydrophobicContact CE2-CD1 3.89Å; Y967-L1068 HydrophobicContact CE2-CD2 4.26Å; Y967-L1068 HydrophobicContact CG-CD2 4.37Å; Y967-V1120 HydrophobicContact CE2-CG1 4.04Å; Y967-V1123 HydrophobicContact CD1-CG1 3.76Å; Y967-V1123 HydrophobicContact CD2-CB 4.16Å; Y967-V1123 HydrophobicContact CD2-CG1 3.94Å; Y967-V1123 HydrophobicContact CE1-CG1 4.42Å; Y967-V1123 HydrophobicContact CG-CB 4.21Å; Y967-V1123 HydrophobicContact CG-CG1 3.48Å; Y967-V1123 VanDerWaalsContact CG-CG1 3.48Å
968R74Confident67.3Low112 Ų11250 Ų5042%0.42328%0.283SS..Hα-helixtrans-64.7-51.2172.5-73.8176.9176.1-172.3-1.7111.5V964 S965 I970 L971 E972V964-R968 WeakPolarHBondContact O-CG 3.06Å; V964-R968 PolarHBondContact O-N 3.15Å; S965-R968 WeakPolarHBondContact O-CA 3.25Å; S965-R968 WeakPolarHBondContact O-CB 3.36Å; S965-R968 PolarHBondContact O-N 3.2Å; R968-I970 PolarHBondContact O-N 3.04Å; R968-I970 VanDerWaalsContact O-N 3.1Å; R968-L971 PolarHBondContact O-N 3.32Å; R968-E972 PolarHBondContact O-N 3.21Å
969D68Low64.9Low60 Ų6055.8 Ų55.832%0.32132%0.32SS..Hα-helixtrans-57.4-29.9-178.8-61.9-24.8000113.3S965 P973S965-D969 VanDerWaalsContact O-CG 3.31Å; S965-D969 PolarHBondContact O-N 3.19Å; D969-P973 WeakPolarHBondContact O-CA 3.33Å
970I68.6Low62.5Low29 Ų2963 Ų6315%0.14935%0.351CS..Hα-helixtrans-84.8-27.5179.1-67.5167.9000112.5R966 R968 L1064 R1067 L1068 A1071R966-I970 WeakPolarHBondContact O-CB 3.44Å; R966-I970 WeakPolarHBondContact O-CD1 3.3Å; R966-I970 VanDerWaalsContact O-CG1 3.24Å; R966-I970 WeakPolarHBondContact O-CG1 3.25Å; R966-I970 PolarHBondContact O-N 3.05Å; R968-I970 PolarHBondContact O-N 3.04Å; R968-I970 VanDerWaalsContact O-N 3.1Å; I970-L1064 HydrophobicContact CG2-CD2 4.4Å; I970-L1064 HydrophobicContact CG2-CG 4.16Å; I970-R1067 HydrophobicContact CG2-CB 4.17Å; I970-L1068 HydrophobicContact CB-CD2 3.8Å; I970-L1068 HydrophobicContact CB-CG 4.49Å; I970-L1068 HydrophobicContact CD1-CD2 3.98Å; I970-L1068 HydrophobicContact CG1-CD2 4.48Å; I970-L1068 HydrophobicContact CG2-CD2 3.67Å; I970-L1068 HydrophobicContact CG2-CG 3.8Å; I970-A1071 HydrophobicContact CD1-CB 3.53Å
971L69Low59.9Low81 Ų8166.9 Ų66.942%0.42437%0.369SS..Hα-helixtrans-83.2-45.8175.4-79.1168.7000112.4Y967 R968 P973 L1064Y967-L971 HydrophobicContact CD1-CD1 3.73Å; Y967-L971 HydrophobicContact CD2-CD1 4.41Å; Y967-L971 HydrophobicContact CE1-CD1 3.32Å; Y967-L971 HydrophobicContact CE2-CD1 4.02Å; Y967-L971 HydrophobicContact CG-CD1 4.26Å; Y967-L971 VanDerWaalsContact CZ-CD1 3.47Å; Y967-L971 WeakPolarHBondContact O-CG 3.26Å; Y967-L971 PolarHBondContact O-N 3.27Å; R968-L971 PolarHBondContact O-N 3.32Å; L971-P973 VanDerWaalsContact C-CD 3.48Å; L971-P973 WeakPolarHBondContact O-CD 3.34Å; L971-L1064 HydrophobicContact CD2-CD2 3.7Å; L971-L1064 HydrophobicContact CG-CD2 4.42Å
972E63.7Low57Low155 Ų15573.1 Ų73.172%0.72440%0.402SS*.SBendtrans-121.572.9-177.1-67.2-179.4177.800108.6R968R968-E972 PolarHBondContact O-N 3.21Å
973P53Low54.6Low95 Ų9578.2 Ų78.262%0.61743%0.433SS*.  trans-59.7128.717625-33.9000109.6D969 L971D969-P973 WeakPolarHBondContact O-CA 3.33Å; L971-P973 VanDerWaalsContact C-CD 3.48Å; L971-P973 WeakPolarHBondContact O-CD 3.34Å
974P43.9Very low51.7Low71 Ų7182 Ų8246%0.46147%0.472SS..  trans-61.1141.5-172.221.3-32.4000112.2S976P974-S976 PolarHBondContact O-N 3.5Å
975S45.3Very low49Very low136 Ų13690.1 Ų90.195%0.95151%0.511SS*.SBendtrans-61.7-14.5-172.8-48.30000115.1
976S36.8Very low46.5Very low58 Ų5895.1 Ų95.141%0.40655%0.553SS.*SBendtrans-138.8143.6178510000109.6P974 S978P974-S976 PolarHBondContact O-N 3.5Å; S976-S978 PolarHBondContact O-N 2.8Å; S976-S978 VanDerWaalsContact O-N 3.17Å
977P37.4Very low44Very low112 Ų11297.7 Ų97.773%0.72759%0.589SS**  trans-63120.4173.326.5-32.8000108.9
978S32.5Very low41.5Very low23 Ų23100.5 Ų100.516%0.16161%0.614CS.*  trans-60.1150.4175.264.80000109.8S976 F980 H981S976-S978 PolarHBondContact O-N 2.8Å; S976-S978 VanDerWaalsContact O-N 3.17Å; S978-F980 PolarHBondContact O-N 3.29Å; S978-H981 PolarHBondContact O-N 3.45Å
979P38.5Very low39Very low120 Ų120102.4 Ų102.478%0.77963%0.633SS**THydrogen-bonded Turntrans-59-12.4177.6-25.935.3000114.4
980F37.1Very low36.8Very low151 Ų151109.5 Ų109.566%0.66266%0.655SS**THydrogen-bonded Turntrans-91.7-5.9175.2-65.7-80.1000114.1I859 S978I859-F980 HydrophobicContact CD1-CE2 4.16Å; I859-F980 HydrophobicContact CD1-CZ 4.03Å; S978-F980 PolarHBondContact O-N 3.29Å
981H32.7Very low34.6Very low88 Ų88115.4 Ų115.441%0.40769%0.687SS.*  trans-121.961.6-177.3-69.71.4000111.7S978S978-H981 PolarHBondContact O-N 3.45Å
982N23.8Very low32.5Very low149 Ų149120.5 Ų120.580%0.79771%0.709SS**  trans-103.675.9177.3-166.53.2000112.2
983T27.7Very low30.5Very low114 Ų114118.7 Ų118.770%0.69971%0.708SS**  trans-142.567.4161.245.20000111.8M985T983-M985 PolarHBondContact O-N 3.35Å
984G23.3Very low29.1Very low79 Ų79120.9 Ų120.981%0.81471%0.714SS**  trans-70.470.1161.600000112
985M24.6Very low28Very low188 Ų188127 Ų12793%0.92673%0.734SS**  trans-14360.2167.5-77.1-148.1173.600111.6T983T983-M985 PolarHBondContact O-N 3.35Å
986A23.9Very low26.9Very low108 Ų108131.8 Ų131.889%0.89373%0.731SS**  trans-124.692.5165.200000108.4
987G22.7Very low26.2Very low85 Ų85136.8 Ų136.888%0.87675%0.748SS**  trans153.234.5-179.700000118.2
988S24.1Very low25.4Very low96 Ų96140.6 Ų140.667%0.67176%0.755SS**SBendtrans-144.1132.7162.9580000112W990S988-W990 PolarHBondContact O-N 3.29Å
989N22.2Very low24.8Very low153 Ų153147.2 Ų147.282%0.81878%0.781SS**  trans-46.4128.1-178.2-70.2-18.6000113.4
990W22.8Very low23.9Very low209 Ų209147.4 Ų147.479%0.79278%0.776SS**  trans-12555.5154.4-70.893.9000110.2S988 V993S988-W990 PolarHBondContact O-N 3.29Å; W990-V993 HydrophobicContact CE3-CG2 3.83Å; W990-V993 HydrophobicContact CZ3-CG2 3.5Å; W990-V993 VanDerWaalsContact CZ3-CG2 3.5Å
991D22.6Very low23.2Very low153 Ų153150.8 Ų150.882%0.81879%0.786SS**  trans-82.4135.9142-89.7-41.5000107.2
992Q22.9Very low22.7Very low188 Ų188154.8 Ų154.888%0.87980%0.798SS**  trans71.972.4-170.4-54-172.85.100117.3
993V22.9Very low22.7Very low117 Ų117155.9 Ų155.971%0.70980%0.803SS**  -127.3131.2122.1170.80000109.4W990W990-V993 HydrophobicContact CE3-CG2 3.83Å; W990-V993 HydrophobicContact CZ3-CG2 3.5Å; W990-V993 VanDerWaalsContact CZ3-CG2 3.5Å
994D22.8Very low22.4Very low140 Ų140155.2 Ų155.275%0.74980%0.798SS**  trans-74167.4-169.4-127.5-42.7000114.7R996D994-R996 PolarHBondContact O-N 3.18Å
995K21.9Very low22.4Very low200 Ų200159 Ų15987%0.8779%0.794SS**  trans-51.598.4173.4-65.2166.3179.51700112.5
996R21.6Very low22.3Very low237 Ų237153.7 Ų153.789%0.89479%0.788SS**  trans-131.6101.9153.2-71.7-167.3177.61791110.5D994D994-R996 PolarHBondContact O-N 3.18Å
997E21.4Very low22.3Very low162 Ų162159.3 Ų159.376%0.75779%0.786SS**  trans21.3117.8159.6-62.2-177.7166.300118.6K999E997-K999 PolarHBondContact O-N 3.28Å
998H21.3Very low22.3Very low193 Ų193160.1 Ų160.189%0.89477%0.774SS**  trans-59.191.7164.3-67.819.1000111.1
999K20.7Very low22.2Very low161 Ų161162 Ų16270%0.779%0.786SS**  trans-92.7104.7159.1-78.1-177.7178.3172.60108.4E997 Y1001E997-K999 PolarHBondContact O-N 3.28Å; K999-Y1001 PolarHBondContact O-N 3.31Å
1000N20Very low22.3Very low124 Ų124158.8 Ų158.866%0.66378%0.78SS**  trans-46.6113.3167.5-77-39000109.2Y1002N1000-Y1002 HydrophobicContact CB-CD2 3.6Å; N1000-Y1002 HydrophobicContact CB-CE2 3.58Å; N1000-Y1002 PolarHBondContact O-N 2.86Å
1001Y20.9Very low22.3Very low223 Ų223153.5 Ų153.588%0.87578%0.775SS**  trans-73.769.6165.7-80.3-89.1000109.1K999 I1003K999-Y1001 PolarHBondContact O-N 3.31Å; Y1001-I1003 PolarHBondContact O-N 2.9Å
1002Y22.2Very low22.3Very low172 Ų172156.7 Ų156.768%0.67578%0.777SS**  trans-55.7125.7152.3-75.1-79.3000107.1N1000 T1004N1000-Y1002 HydrophobicContact CB-CD2 3.6Å; N1000-Y1002 HydrophobicContact CB-CE2 3.58Å; N1000-Y1002 PolarHBondContact O-N 2.86Å; Y1002-T1004 PolarHBondContact O-N 3.1Å; Y1002-T1004 PolarHBondContact O-OG1 3.09Å
1003I23.2Very low22.4Very low172 Ų172156.1 Ų156.188%0.88278%0.779SS**  trans-74.972.8173-57.6177000107.4Y1001Y1001-I1003 PolarHBondContact O-N 2.9Å
1004T21.8Very low22.4Very low99 Ų99155.3 Ų155.361%0.60778%0.778SS**  trans-93.3111.5171.345.80000109.2Y1002Y1002-T1004 PolarHBondContact O-N 3.1Å; Y1002-T1004 PolarHBondContact O-OG1 3.09Å
1005H24.3Very low22.4Very low159 Ų159154.4 Ų154.474%0.73678%0.783SS**  trans77.2131.2168.2-41.6-20.7000113.9
1006G22.4Very low22.4Very low77 Ų77148.5 Ų148.579%0.79478%0.779SS**  cis98.722.225.700000112.6
1007W23.1Very low22.5Very low226 Ų226142.5 Ų142.586%0.85677%0.773SS**  trans-10996.7167.4-76.177.8000110.4C1009W1007-C1009 PolarHBondContact O-N 2.86Å
1008T22.8Very low22.6Very low102 Ų102141.9 Ų141.963%0.62678%0.775SS**  trans1.7106.5158.648.30000117.7A1010T1008-A1010 PolarHBondContact O-N 3.45Å
1009C23.3Very low22.6Very low135 Ų135142.6 Ų142.691%0.91278%0.775SS**  trans-71.393.7162.4-174.40000110W1007W1007-C1009 PolarHBondContact O-N 2.86Å
1010A23.1Very low22.7Very low85 Ų85140 Ų14070%0.70278%0.778SS**  trans-147.559.3178.200000111.6T1008T1008-A1010 PolarHBondContact O-N 3.45Å
1011S23.9Very low22.8Very low98 Ų98142.6 Ų142.669%0.68579%0.786SS**  trans-117.897.6174.855.90000111.1
1012Y22.1Very low22.8Very low220 Ų220137.4 Ų137.486%0.86378%0.782SS**  trans31.988.1149.7-67.2-89.2000118S1014Y1012-S1014 PolarHBondContact O-N 3.4Å
1013I23.9Very low22.8Very low177 Ų177137.1 Ų137.191%0.90879%0.791SS**  trans-80.590.7152-60.5175.4000106.8
1014S22.7Very low22.9Very low99 Ų99133 Ų13369%0.69278%0.782SS**  trans-78.1129.4167.155.20000109.6Y1012 G1016Y1012-S1014 PolarHBondContact O-N 3.4Å; S1014-G1016 PolarHBondContact O-N 2.84Å
1015S23.4Very low23Very low121 Ų121133 Ų13385%0.84679%0.792SS**  trans-54105.8177.751.10000113.2
1016G22.6Very low22.9Very low76 Ų76134.1 Ų134.178%0.78480%0.798SS**  trans-98.6103.5157.600000108.3S1014S1014-G1016 PolarHBondContact O-N 2.84Å
1017S23.3Very low22.9Very low111 Ų111136.5 Ų136.578%0.77680%0.802SS**  trans-72.9135.6-17653.40000112.3K1019S1017-K1019 PolarHBondContact O-N 3.13Å
1018D22.5Very low23Very low150 Ų150130.2 Ų130.280%0.80280%0.798SS**  trans-52.7133169.6-62.1-69.5000112.5
1019K23.2Very low23Very low207 Ų207131.8 Ų131.890%0.981%0.807SS**  trans-132.986.1149.8-82.5-157171.7-167.30109.6S1017S1017-K1019 PolarHBondContact O-N 3.13Å
1020S21.9Very low23Very low108 Ų108134.3 Ų134.376%0.75581%0.806SS**  trans-75119.7165.6510000111
1021E22Very low23Very low177 Ų177140 Ų14083%0.82782%0.815SS**  trans-156.884.4158.6-105.9166-15000105.8
1022S21.8Very low22.9Very low114 Ų114138.7 Ų138.780%0.79782%0.816SS**  5982.888.874.90000114.3
1023I21.9Very low23Very low167 Ų167135.9 Ų135.986%0.85682%0.816SS**  trans-122.3113.7156.1-63-180000107.6
1024A24.4Very low23.1Very low84 Ų84137.2 Ų137.269%0.69482%0.815SS**  trans-67.3127.6167.400000108.5
1025A23.6Very low23.3Very low99 Ų99137.5 Ų137.582%0.81882%0.815SS**  63.480.678.100000113.2
1026E22.4Very low23.6Very low183 Ų183139.4 Ų139.486%0.85582%0.816SS**  trans-126.1145.3164-82.9-164.7147.500111.9
1027S22.3Very low23.8Very low128 Ų128142.9 Ų142.990%0.89581%0.812SS**  trans59.695.1165.563.90000118.3
1028A25Very low23.9Very low93 Ų93146.2 Ų146.277%0.76981%0.807SS**  trans-112.8140.515800000110.2
1029V24.4Very low24.2Very low135 Ų135146.6 Ų146.682%0.81881%0.809SS**  trans62.1106.1153.8-176.70000119.2
1030Q22Very low24.5Very low189 Ų189140.6 Ų140.688%0.88380%0.797SS**  trans-138.3112140.5-72.1-167.1-1.500107.4
1031K23.6Very low24.9Very low205 Ų205143.7 Ų143.789%0.89180%0.8SS**  71.6125.792.5-82.9-167.3174.3-174.60115.3
1032G22.6Very low25.4Very low69 Ų69141.7 Ų141.771%0.71180%0.795SS**  trans148.891.1171.800000110.1
1033D23.3Very low26Very low161 Ų161144.2 Ų144.286%0.86179%0.794SS**  53105.988.1-77.4-16.3000114.3
1034K26.2Very low26.5Very low205 Ų205144.4 Ų144.489%0.89180%0.796SS**  178.1161.7107.5-94.2-173.1176.6178.90113.1
1035P27.8Very low27.3Very low105 Ų105143.6 Ų143.668%0.68279%0.79SS**  trans-122.3176.5-149.143.4-31.9000115.7E1037P1035-E1037 PolarHBondContact O-N 3.44Å
1036D29.2Very low27.9Very low161 Ų161146 Ų14686%0.86178%0.784SS**  trans2.6103.4153-60.8-44000119
1037E26.9Very low28.8Very low150 Ų150144.3 Ų144.370%0.70178%0.781SS**  trans-157.8135154.3-91-164.1169.600104.5P1035P1035-E1037 PolarHBondContact O-N 3.44Å
1038R26Very low29.6Very low180 Ų180145.3 Ų145.368%0.67977%0.769SS**  cis-168.315221.6-105.5166.2-147.3-135.1-4.7109.2
1039L27.3Very low30.3Very low159 Ų159145.6 Ų145.683%0.83276%0.757SS**  trans61.7140.7138.8-59.7170.1000119.5
1040A30.9Very low31.4Very low80 Ų80143.7 Ų143.766%0.66175%0.745SS**  cis-163.7-178.6-6.300000111.6
1041E29.8Very low32.4Very low173 Ų173141 Ų14181%0.80873%0.733SS**  trans88.187.4158.7-64.5179.8-167.500119.6
1042N32.2Very low33.2Very low135 Ų135140.3 Ų140.372%0.72273%0.725SS**  73.689.5122.7-61-13.2000120.2
1043H33.7Very low33.9Very low168 Ų168144.2 Ų144.278%0.77872%0.722SS**  21.2101.9116.1-64-82000117.9
1044D34.2Very low35Very low170 Ų170140.3 Ų140.391%0.90970%0.701SS**  -17549.9126.8-95.8-11000111.8
1045A40Very low36Very low67 Ų67133.2 Ų133.255%0.55468%0.678SS**  trans-135.112-178.100000114.8D1047 K1048A1045-D1047 VanDerWaalsContact C-N 3.29Å; A1045-D1047 PolarHBondContact O-N 2.83Å; A1045-K1048 PolarHBondContact O-N 2.89Å
1046Q36.8Very low37Very low149 Ų149134.6 Ų134.670%0.69667%0.673SS**Hα-helixtrans-61.5-35.8-173.7-151.778.2-10.300112.4K1048 L1049Q1046-K1048 VanDerWaalsContact C-N 3.29Å; Q1046-K1048 PolarHBondContact O-N 2.88Å; Q1046-L1049 PolarHBondContact O-N 2.97Å
1047D40.3Very low37.9Very low149 Ų149131.1 Ų131.180%0.79765%0.654SS**Hα-helixtrans-69.8-20.7177.6-73.6-26.6000113.9A1045A1045-D1047 VanDerWaalsContact C-N 3.29Å; A1045-D1047 PolarHBondContact O-N 2.83Å
1048K38.8Very low39.2Very low149 Ų149132.2 Ų132.265%0.64865%0.652SS**Hα-helixtrans-84.8-11173.5-74.5-174.5175.6176.90113.7A1045 Q1046 R1052A1045-K1048 PolarHBondContact O-N 2.89Å; Q1046-K1048 VanDerWaalsContact C-N 3.29Å; Q1046-K1048 PolarHBondContact O-N 2.88Å; K1048-R1052 PolarHBondContact O-N 3.25Å
1049L41.3Very low40.5Very low99 Ų99129.6 Ų129.652%0.51865%0.648SS.*Hα-helixtrans-77.9-29.4178.3-159.671.6000112.4Q1046 R1052 K1053Q1046-L1049 PolarHBondContact O-N 2.97Å; L1049-R1052 PolarHBondContact O-N 2.83Å; L1049-K1053 PolarHBondContact O-N 3.04Å
1050V46.4Very low41.6Very low94 Ų94129.9 Ų129.957%0.5764%0.638SS**Hα-helixtrans-67.1-41.9170.8179.70000110.2K1053 N1054V1050-K1053 PolarHBondContact O-N 3.2Å; V1050-N1054 WeakPolarHBondContact O-CB 3.39Å; V1050-N1054 PolarHBondContact O-N 3.33Å; V1050-N1054 PolarHBondContact O-ND2 3.11Å
1051E43.5Very low42.9Very low134 Ų134132.1 Ų132.163%0.62663%0.634SS**Hα-helixtrans-63.7-40.1171-71.2-160.5130.800112.6N1054 S1055E1051-N1054 CarbonylContact O-C 3.54Å; E1051-N1054 PolarHBondContact O-N 3.31Å; E1051-S1055 WeakPolarHBondContact O-CB 3.44Å; E1051-S1055 PolarHBondContact O-N 3.19Å
1052R39.7Very low44.4Very low190 Ų190126.7 Ų126.772%0.71762%0.619SS**Hα-helixtrans-68.4-36175.6-92.5-174.5171.5178.4-1.9114K1048 L1049 N1054 S1055 F1056K1048-R1052 PolarHBondContact O-N 3.25Å; L1049-R1052 PolarHBondContact O-N 2.83Å; R1052-N1054 VanDerWaalsContact C-N 3.32Å; R1052-S1055 PolarHBondContact O-N 3.49Å; R1052-F1056 WeakPolarHBondContact O-CB 3.34Å; R1052-F1056 PolarHBondContact O-N 3.3Å
1053K38.3Very low46Very low151 Ų151125.5 Ų125.566%0.65761%0.613SS**Hα-helixtrans-64.2-39.4169.7-95.4-176.9174.1177.50111.3L1049 V1050 S1055 N1057L1049-K1053 PolarHBondContact O-N 3.04Å; V1050-K1053 PolarHBondContact O-N 3.2Å; K1053-S1055 VanDerWaalsContact C-N 3.33Å; K1053-N1057 VanDerWaalsContact O-CB 3.26Å; K1053-N1057 WeakPolarHBondContact O-CB 3.38Å; K1053-N1057 VanDerWaalsContact O-CG 3.27Å; K1053-N1057 PolarHBondContact O-N 3.26Å; K1053-N1057 PolarHBondContact O-ND2 3.48Å
1054N46Very low47.5Very low78 Ų78119.8 Ų119.842%0.41759%0.587SS.*Hα-helixtrans-69.4-28.8173.5-71.4-21.9000112.9V1050 E1051 R1052 R1058V1050-N1054 WeakPolarHBondContact O-CB 3.39Å; V1050-N1054 PolarHBondContact O-N 3.33Å; V1050-N1054 PolarHBondContact O-ND2 3.11Å; E1051-N1054 CarbonylContact O-C 3.54Å; E1051-N1054 PolarHBondContact O-N 3.31Å; R1052-N1054 VanDerWaalsContact C-N 3.32Å; N1054-R1058 VanDerWaalsContact O-CB 3.31Å; N1054-R1058 WeakPolarHBondContact O-CB 3.42Å; N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.39Å; N1054-R1058 PolarHBondContact O-N 3.37Å
1055S46.2Very low49.1Very low57 Ų57114.1 Ų114.140%0.39956%0.559SS.*Hα-helixtrans-74.3-46.2174.1-165.70000111.6E1051 R1052 K1053 N1057 R1058 E1059E1051-S1055 WeakPolarHBondContact O-CB 3.44Å; E1051-S1055 PolarHBondContact O-N 3.19Å; R1052-S1055 PolarHBondContact O-N 3.49Å; K1053-S1055 VanDerWaalsContact C-N 3.33Å; S1055-N1057 VanDerWaalsContact C-N 3.33Å; S1055-N1057 PolarHBondContact O-N 3.48Å; S1055-R1058 CarbonylContact O-C 3.59Å; S1055-R1058 WeakPolarHBondContact O-CA 3.26Å; S1055-R1058 WeakPolarHBondContact O-CB 3.37Å; S1055-R1058 PolarHBondContact O-N 3.26Å; S1055-R1058 VanDerWaalsContact O-N 3.1Å; S1055-E1059 PolarHBondContact O-N 2.8Å
1056F49.3Very low50.4Low134 Ų134113 Ų11359%0.58855%0.55SS*.Hα-helixtrans-66.2-37177-166.1-96.8000111.4R1052 R1060R1052-F1056 WeakPolarHBondContact O-CB 3.34Å; R1052-F1056 PolarHBondContact O-N 3.3Å; F1056-R1060 WeakPolarHBondContact O-CB 3.5Å; F1056-R1060 PolarHBondContact O-N 3.33Å
1057N49.3Very low52Low87 Ų87113.7 Ų113.747%0.46555%0.546SS..Hα-helixtrans-66.1-37.9169.8-75.8-20.1000112K1053 S1055 Q1061K1053-N1057 VanDerWaalsContact O-CB 3.26Å; K1053-N1057 WeakPolarHBondContact O-CB 3.38Å; K1053-N1057 VanDerWaalsContact O-CG 3.27Å; K1053-N1057 PolarHBondContact O-N 3.26Å; K1053-N1057 PolarHBondContact O-ND2 3.48Å; S1055-N1057 VanDerWaalsContact C-N 3.33Å; S1055-N1057 PolarHBondContact O-N 3.48Å; N1057-Q1061 VanDerWaalsContact O-CB 3.22Å; N1057-Q1061 WeakPolarHBondContact O-CB 3.48Å; N1057-Q1061 WeakPolarHBondContact O-CG 3.24Å; N1057-Q1061 PolarHBondContact O-N 3.41Å
1058R53.5Low53.4Low174 Ų174106.9 Ų106.966%0.65751%0.51SS*.Hα-helixtrans-67.1-42.2173.4-85.1-173.8-121.6-173-0.2113N1054 S1055 Q1061 A1062N1054-R1058 VanDerWaalsContact O-CB 3.31Å; N1054-R1058 WeakPolarHBondContact O-CB 3.42Å; N1054-R1058 VanDerWaalsContact O-CG 3.28Å; N1054-R1058 WeakPolarHBondContact O-CG 3.39Å; N1054-R1058 PolarHBondContact O-N 3.37Å; S1055-R1058 CarbonylContact O-C 3.59Å; S1055-R1058 WeakPolarHBondContact O-CA 3.26Å; S1055-R1058 WeakPolarHBondContact O-CB 3.37Å; S1055-R1058 PolarHBondContact O-N 3.26Å; S1055-R1058 VanDerWaalsContact O-N 3.1Å; R1058-Q1061 PolarHBondContact O-N 3.12Å; R1058-A1062 WeakPolarHBondContact O-CB 3.41Å; R1058-A1062 PolarHBondContact O-N 2.89Å
1059E52.3Low54.9Low125 Ų125105.6 Ų105.658%0.58450%0.501SS*.Hα-helixtrans-65.3-43.9174.9-77.4-178.4145.500111S1055 A1062 L1063S1055-E1059 PolarHBondContact O-N 2.8Å; E1059-A1062 PolarHBondContact O-N 2.81Å; E1059-L1063 VanDerWaalsContact O-CB 3.27Å; E1059-L1063 WeakPolarHBondContact O-CB 3.32Å; E1059-L1063 PolarHBondContact O-N 3.01Å
1060R51.4Low56.2Low164 Ų164107 Ų10762%0.61951%0.509SS*.Hα-helixtrans-62.9-42.8174.7-170173.2179.5165.30111.2F1056 L1064F1056-R1060 WeakPolarHBondContact O-CB 3.5Å; F1056-R1060 PolarHBondContact O-N 3.33Å; R1060-L1064 VanDerWaalsContact O-CB 3.23Å; R1060-L1064 WeakPolarHBondContact O-CB 3.28Å; R1060-L1064 PolarHBondContact O-N 3.02Å
1061Q57.4Low57.3Low127 Ų127104 Ų10459%0.59349%0.494SS*.Hα-helixtrans-64.6-40.9173.5-79.9175.3-27.900112.5N1057 R1058 L1064 T1065N1057-Q1061 VanDerWaalsContact O-CB 3.22Å; N1057-Q1061 WeakPolarHBondContact O-CB 3.48Å; N1057-Q1061 WeakPolarHBondContact O-CG 3.24Å; N1057-Q1061 PolarHBondContact O-N 3.41Å; R1058-Q1061 PolarHBondContact O-N 3.12Å; Q1061-L1064 PolarHBondContact O-N 3.46Å; Q1061-T1065 WeakPolarHBondContact O-CB 3.17Å; Q1061-T1065 PolarHBondContact O-N 2.9Å; Q1061-T1065 PolarHBondContact O-OG1 3.21Å
1062A61.8Low58.8Low60 Ų6097.7 Ų97.750%0.49646%0.464SS..Hα-helixtrans-66.5-45.1178.100000111.2R1058 E1059 T1065 A1066R1058-A1062 WeakPolarHBondContact O-CB 3.41Å; R1058-A1062 PolarHBondContact O-N 2.89Å; E1059-A1062 PolarHBondContact O-N 2.81Å; A1062-T1065 PolarHBondContact O-N 3.29Å; A1062-A1066 VanDerWaalsContact O-CB 3.27Å; A1062-A1066 WeakPolarHBondContact O-CB 3.45Å; A1062-A1066 PolarHBondContact O-N 3.24Å
1063L66.6Low60.5Low110 Ų11091.9 Ų91.958%0.57645%0.447SS*.Hα-helixtrans-62.2-45.1174.4-179.664.3000111.3E1059 A1066 R1067E1059-L1063 VanDerWaalsContact O-CB 3.27Å; E1059-L1063 WeakPolarHBondContact O-CB 3.32Å; E1059-L1063 PolarHBondContact O-N 3.01Å; L1063-A1066 PolarHBondContact O-N 2.96Å; L1063-R1067 HydrophobicContact CD1-CG 4.46Å; L1063-R1067 WeakPolarHBondContact O-CG 3.39Å; L1063-R1067 PolarHBondContact O-N 3.03Å
1064L63.7Low62.2Low48 Ų4887.2 Ų87.225%0.25143%0.433SS..Hα-helixtrans-67-40.2179.4-149.1124.9000111.1I970 L971 R1060 Q1061 R1067 L1068I970-L1064 HydrophobicContact CG2-CD2 4.4Å; I970-L1064 HydrophobicContact CG2-CG 4.16Å; L971-L1064 HydrophobicContact CD2-CD2 3.7Å; L971-L1064 HydrophobicContact CG-CD2 4.42Å; R1060-L1064 VanDerWaalsContact O-CB 3.23Å; R1060-L1064 WeakPolarHBondContact O-CB 3.28Å; R1060-L1064 PolarHBondContact O-N 3.02Å; Q1061-L1064 PolarHBondContact O-N 3.46Å; L1064-R1067 PolarHBondContact O-N 3.28Å; L1064-L1068 HydrophobicContact CD2-CD1 3.98Å; L1064-L1068 HydrophobicContact CD2-CG 4.45Å; L1064-L1068 WeakPolarHBondContact O-CB 3.45Å; L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.32Å; L1064-L1068 PolarHBondContact O-N 3.34Å
1065T67.8Low63.8Low51 Ų5184 Ų8431%0.31342%0.416SS..Hα-helixtrans-64.7-39.2173.9-56.30000111.8Q1061 A1062 R1069Q1061-T1065 WeakPolarHBondContact O-CB 3.17Å; Q1061-T1065 PolarHBondContact O-N 2.9Å; Q1061-T1065 PolarHBondContact O-OG1 3.21Å; A1062-T1065 PolarHBondContact O-N 3.29Å; T1065-R1069 WeakPolarHBondContact O-CB 3.28Å; T1065-R1069 WeakPolarHBondContact O-CG 3.2Å; T1065-R1069 PolarHBondContact O-N 3.13Å
1066A68.7Low65.5Low44 Ų4481.3 Ų81.336%0.36440%0.397SS..Hα-helixtrans-67.8-41.4175.800000112A1062 L1063 R1069 N1070A1062-A1066 VanDerWaalsContact O-CB 3.27Å; A1062-A1066 WeakPolarHBondContact O-CB 3.45Å; A1062-A1066 PolarHBondContact O-N 3.24Å; L1063-A1066 PolarHBondContact O-N 2.96Å; A1066-R1069 PolarHBondContact O-N 3Å; A1066-N1070 WeakPolarHBondContact O-CB 3.32Å; A1066-N1070 PolarHBondContact O-N 2.86Å; A1066-N1070 PolarHBondContact O-OD1 3.03Å
1067R69.6Low67.2Low163 Ų16378.6 Ų78.662%0.61539%0.393SS*.Hα-helixtrans-64.4-43.2173.7-69.3-178.898.7-176.55.9111.6I970 L1063 L1064 N1070 A1071I970-R1067 HydrophobicContact CG2-CB 4.17Å; L1063-R1067 HydrophobicContact CD1-CG 4.46Å; L1063-R1067 WeakPolarHBondContact O-CG 3.39Å; L1063-R1067 PolarHBondContact O-N 3.03Å; L1064-R1067 PolarHBondContact O-N 3.28Å; R1067-N1070 PolarHBondContact O-N 3.33Å; R1067-A1071 VanDerWaalsContact O-CB 3.31Å; R1067-A1071 WeakPolarHBondContact O-CB 3.37Å; R1067-A1071 PolarHBondContact O-N 2.82Å
1068L69.3Low69Low6 Ų674.6 Ų74.63%0.03137%0.371CS..Hα-helixtrans-60.3-48.5174.7-77.2176.5000111.9Y967 I970 L1064 A1071 L1072 V1120Y967-L1068 HydrophobicContact CD2-CD1 4.06Å; Y967-L1068 HydrophobicContact CD2-CD2 3.58Å; Y967-L1068 HydrophobicContact CD2-CG 4.46Å; Y967-L1068 HydrophobicContact CE2-CD1 3.89Å; Y967-L1068 HydrophobicContact CE2-CD2 4.26Å; Y967-L1068 HydrophobicContact CG-CD2 4.37Å; I970-L1068 HydrophobicContact CB-CD2 3.8Å; I970-L1068 HydrophobicContact CB-CG 4.49Å; I970-L1068 HydrophobicContact CD1-CD2 3.98Å; I970-L1068 HydrophobicContact CG1-CD2 4.48Å; I970-L1068 HydrophobicContact CG2-CD2 3.67Å; I970-L1068 HydrophobicContact CG2-CG 3.8Å; L1064-L1068 HydrophobicContact CD2-CD1 3.98Å; L1064-L1068 HydrophobicContact CD2-CG 4.45Å; L1064-L1068 WeakPolarHBondContact O-CB 3.45Å; L1064-L1068 VanDerWaalsContact O-CG 3.26Å; L1064-L1068 WeakPolarHBondContact O-CG 3.32Å; L1064-L1068 PolarHBondContact O-N 3.34Å; L1068-A1071 PolarHBondContact O-N 3.21Å; L1068-L1072 HydrophobicContact CB-CD1 4.42Å; L1068-L1072 HydrophobicContact CD2-CD1 4.26Å; L1068-L1072 VanDerWaalsContact O-CB 3.27Å; L1068-L1072 WeakPolarHBondContact O-CB 3.48Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.31Å; L1068-L1072 WeakPolarHBondContact O-CG 3.33Å; L1068-L1072 PolarHBondContact O-N 2.88Å; L1068-V1120 HydrophobicContact CB-CG2 4.24Å; L1068-V1120 HydrophobicContact CD1-CG2 4Å
1069R70.6Confident70.7Confident122 Ų12266.3 Ų66.346%0.4634%0.34SS..Hα-helixtrans-58.7-55.1174.8-77.7-178.3-173.8177.80.8111.2T1065 A1066 A1071 L1072 D1073T1065-R1069 WeakPolarHBondContact O-CB 3.28Å; T1065-R1069 WeakPolarHBondContact O-CG 3.2Å; T1065-R1069 PolarHBondContact O-N 3.13Å; A1066-R1069 PolarHBondContact O-N 3Å; R1069-A1071 PolarHBondContact O-N 2.79Å; R1069-A1071 VanDerWaalsContact O-N 3.08Å; R1069-L1072 PolarHBondContact O-N 2.81Å; R1069-D1073 WeakPolarHBondContact O-CB 3.5Å; R1069-D1073 PolarHBondContact O-N 3.45Å
1070N70Confident72.5Confident128 Ų12861.3 Ų61.368%0.68432%0.316SS*.Hα-helixtrans-58.1-30.1-178.9-69.3-0.6000113.7A1066 R1067A1066-N1070 WeakPolarHBondContact O-CB 3.32Å; A1066-N1070 PolarHBondContact O-N 2.86Å; A1066-N1070 PolarHBondContact O-OD1 3.03Å; R1067-N1070 PolarHBondContact O-N 3.33Å
1071A68.9Low74.2Confident31 Ų3156.7 Ų56.726%0.25630%0.301SS..Hα-helixtrans-83.3-25.9177.700000114.4I970 R1067 L1068 R1069I970-A1071 HydrophobicContact CD1-CB 3.53Å; R1067-A1071 VanDerWaalsContact O-CB 3.31Å; R1067-A1071 WeakPolarHBondContact O-CB 3.37Å; R1067-A1071 PolarHBondContact O-N 2.82Å; L1068-A1071 PolarHBondContact O-N 3.21Å; R1069-A1071 PolarHBondContact O-N 2.79Å; R1069-A1071 VanDerWaalsContact O-N 3.08Å
1072L75.3Confident75.8Confident1 Ų150.6 Ų50.61%0.00527%0.273CS..Hα-helixtrans-109.9-28.8-171.4-61168.7000113.4M963 R966 L1068 R1069 P1074 V1075 A1076 V1119 V1123M963-L1072 HydrophobicContact CB-CD2 3.87Å; M963-L1072 HydrophobicContact CE-CB 4.45Å; M963-L1072 HydrophobicContact CE-CD2 4.41Å; M963-L1072 HydrophobicContact CG-CD2 3.92Å; R966-L1072 HydrophobicContact CB-CD2 4.12Å; L1068-L1072 HydrophobicContact CB-CD1 4.42Å; L1068-L1072 HydrophobicContact CD2-CD1 4.26Å; L1068-L1072 VanDerWaalsContact O-CB 3.27Å; L1068-L1072 WeakPolarHBondContact O-CB 3.48Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.31Å; L1068-L1072 WeakPolarHBondContact O-CG 3.33Å; L1068-L1072 PolarHBondContact O-N 2.88Å; R1069-L1072 PolarHBondContact O-N 2.81Å; L1072-P1074 VanDerWaalsContact C-N 3.32Å; L1072-V1075 PolarHBondContact O-N 3.35Å; L1072-A1076 WeakPolarHBondContact O-CB 3.41Å; L1072-A1076 PolarHBondContact O-N 2.99Å; L1072-V1119 HydrophobicContact CB-CG1 3.44Å; L1072-V1119 VanDerWaalsContact CB-CG1 3.44Å; L1072-V1119 HydrophobicContact CD1-CG1 4.13Å; L1072-V1119 HydrophobicContact CG-CG1 4.42Å; L1072-V1123 HydrophobicContact CD1-CG2 3.77Å; L1072-V1123 HydrophobicContact CD2-CG2 4.27Å
1073D73.8Confident77.1Confident68 Ų6847.9 Ų47.936%0.36425%0.25SC..THydrogen-bonded Turntrans-57.6-28.7178.6-74.1-3.7000114.5R1069 V1075 P1077 V1119R1069-D1073 WeakPolarHBondContact O-CB 3.5Å; R1069-D1073 PolarHBondContact O-N 3.45Å; D1073-V1075 VanDerWaalsContact C-N 3.28Å; D1073-V1075 PolarHBondContact O-N 3.38Å; D1073-P1077 WeakPolarHBondContact O-CD 3.49Å; D1073-P1077 VanDerWaalsContact O-CG 3.3Å; D1073-P1077 WeakPolarHBondContact O-CG 3.16Å; D1073-V1119 WeakPolarHBondContact OD1-CG2 3.39Å
1074P74.6Confident78Confident54 Ų5444.4 Ų44.435%0.35124%0.235SC..THydrogen-bonded Turntrans-63.7-34.1172.4-24.635.5000112.9V931 L1072V931-P1074 WeakPolarHBondContact CG2-O 3.27Å; L1072-P1074 VanDerWaalsContact C-N 3.32Å
1075V78.8Confident79.2Confident10 Ų1046.3 Ų46.36%0.06125%0.246CC..THydrogen-bonded Turntrans-105-31.4-166.3-149.40000112.6L929 I959 L1072 D1073 P1077 L1078 F1079L929-V1075 HydrophobicContact CB-CG2 4.41Å; L929-V1075 HydrophobicContact CD2-CB 4.29Å; L929-V1075 HydrophobicContact CD2-CG1 3.56Å; L929-V1075 HydrophobicContact CD2-CG2 3.68Å; I959-V1075 HydrophobicContact CB-CG1 4.19Å; I959-V1075 HydrophobicContact CD1-CG1 4.03Å; I959-V1075 HydrophobicContact CG1-CG1 3.74Å; I959-V1075 HydrophobicContact CG2-CB 4.34Å; I959-V1075 HydrophobicContact CG2-CG1 3.5Å; L1072-V1075 PolarHBondContact O-N 3.35Å; D1073-V1075 VanDerWaalsContact C-N 3.28Å; D1073-V1075 PolarHBondContact O-N 3.38Å; V1075-P1077 VanDerWaalsContact C-CD 3.47Å; V1075-L1078 PolarHBondContact O-N 2.84Å; V1075-F1079 PolarHBondContact O-N 3.1Å
1076A82.7Confident80.2Confident1 Ų144.9 Ų44.91%0.00824%0.235CC..Hα-helixtrans-57-37.6178.900000114.2M963 L1072 F1079 R1080 V1119 L1122M963-A1076 HydrophobicContact CE-CB 3.84Å; L1072-A1076 WeakPolarHBondContact O-CB 3.41Å; L1072-A1076 PolarHBondContact O-N 2.99Å; A1076-F1079 WeakPolarHBondContact O-CB 3.46Å; A1076-F1079 PolarHBondContact O-N 3.42Å; A1076-R1080 VanDerWaalsContact O-CG 3.26Å; A1076-R1080 WeakPolarHBondContact O-CG 3.42Å; A1076-R1080 PolarHBondContact O-N 3.43Å; A1076-V1119 HydrophobicContact CB-CB 4.43Å; A1076-V1119 HydrophobicContact CB-CG1 3.69Å; A1076-V1119 HydrophobicContact CB-CG2 3.82Å; A1076-L1122 HydrophobicContact CB-CD2 4.21Å
1077P85.7Confident81Confident76 Ų7644.5 Ų44.549%0.49423%0.226SC..Hα-helixtrans-60.6-47.2174.6-25.235.6000112.5D1073 V1075 F1079 R1080 E1081D1073-P1077 WeakPolarHBondContact O-CD 3.49Å; D1073-P1077 VanDerWaalsContact O-CG 3.3Å; D1073-P1077 WeakPolarHBondContact O-CG 3.16Å; V1075-P1077 VanDerWaalsContact C-CD 3.47Å; P1077-F1079 VanDerWaalsContact C-N 3.33Å; P1077-F1079 PolarHBondContact O-N 3.46Å; P1077-R1080 PolarHBondContact O-N 2.96Å; P1077-E1081 WeakPolarHBondContact O-CB 3.39Å; P1077-E1081 PolarHBondContact O-N 3.3Å
1078L86.7Confident81.8Confident3 Ų340.5 Ų40.52%0.01622%0.223CC..Hα-helixtrans-64.2-38.7177.5178.963.5000111.7V931 L934 K935 I959 V1075 E1081 I1082V931-L1078 HydrophobicContact CB-CD2 4.5Å; V931-L1078 HydrophobicContact CG1-CB 3.73Å; V931-L1078 HydrophobicContact CG1-CD2 3.74Å; V931-L1078 HydrophobicContact CG1-CG 4.27Å; L934-L1078 HydrophobicContact CB-CD2 3.79Å; K935-L1078 HydrophobicContact CB-CD1 3.77Å; K935-L1078 HydrophobicContact CB-CD2 4.48Å; K935-L1078 HydrophobicContact CD-CD1 4.2Å; K935-L1078 HydrophobicContact CG-CD1 3.97Å; I959-L1078 HydrophobicContact CD1-CD2 3.89Å; I959-L1078 HydrophobicContact CD1-CG 4.11Å; V1075-L1078 PolarHBondContact O-N 2.84Å; L1078-E1081 PolarHBondContact O-N 3.13Å; L1078-I1082 HydrophobicContact CD1-CD1 3.75Å; L1078-I1082 HydrophobicContact CD1-CG1 3.97Å; L1078-I1082 HydrophobicContact CD2-CD1 4.39Å; L1078-I1082 HydrophobicContact CG-CD1 3.78Å; L1078-I1082 HydrophobicContact CG-CG1 4.37Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.23Å; L1078-I1082 PolarHBondContact O-N 3.45Å
1079F88.9Confident82.6Confident0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-58-50.3173.8-173.5-90.7000111.6V956 I959 S960 M963 V1075 A1076 P1077 I1083 L1112 L1122 L1126V956-F1079 HydrophobicContact CB-CE2 4.45Å; V956-F1079 HydrophobicContact CG1-CE2 3.82Å; V956-F1079 HydrophobicContact CG1-CZ 4.32Å; V956-F1079 HydrophobicContact CG2-CE2 4.46Å; I959-F1079 HydrophobicContact CB-CD2 4.17Å; I959-F1079 HydrophobicContact CG2-CB 3.97Å; I959-F1079 HydrophobicContact CG2-CD2 3.67Å; I959-F1079 HydrophobicContact CG2-CG 4.24Å; S960-F1079 WeakPolarHBondContact OG-CE2 3.45Å; M963-F1079 HydrophobicContact SD-CB 4.48Å; V1075-F1079 PolarHBondContact O-N 3.1Å; A1076-F1079 WeakPolarHBondContact O-CB 3.46Å; A1076-F1079 PolarHBondContact O-N 3.42Å; P1077-F1079 VanDerWaalsContact C-N 3.33Å; P1077-F1079 PolarHBondContact O-N 3.46Å; F1079-I1083 HydrophobicContact CD1-CG1 4.07Å; F1079-I1083 HydrophobicContact CE1-CD1 4.37Å; F1079-I1083 HydrophobicContact CE1-CG1 3.7Å; F1079-I1083 HydrophobicContact CZ-CD1 4.16Å; F1079-I1083 HydrophobicContact CZ-CG1 3.93Å; F1079-I1083 WeakPolarHBondContact O-CB 3.47Å; F1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; F1079-I1083 PolarHBondContact O-N 2.94Å; F1079-L1112 HydrophobicContact CE1-CD2 3.82Å; F1079-L1112 HydrophobicContact CZ-CD2 4.5Å; F1079-L1122 HydrophobicContact CD1-CD1 4.13Å; F1079-L1122 HydrophobicContact CD1-CD2 4.05Å; F1079-L1122 HydrophobicContact CE1-CD1 3.89Å; F1079-L1126 HydrophobicContact CE2-CD2 4.29Å; F1079-L1126 HydrophobicContact CZ-CD1 4.49Å; F1079-L1126 HydrophobicContact CZ-CD2 3.79Å
1080R89.5Confident83.5Confident20 Ų2037 Ų378%0.07521%0.209CC..Hα-helixtrans-65-38.4180-68.2-179.6162.4156.4-3.6112.2A1076 P1077 S1084 T1111 L1112 N1114 P1115 V1117 L1122A1076-R1080 VanDerWaalsContact O-CG 3.26Å; A1076-R1080 WeakPolarHBondContact O-CG 3.42Å; A1076-R1080 PolarHBondContact O-N 3.43Å; P1077-R1080 PolarHBondContact O-N 2.96Å; R1080-S1084 VanDerWaalsContact O-CB 3.29Å; R1080-S1084 WeakPolarHBondContact O-CB 3.49Å; R1080-S1084 PolarHBondContact O-N 3.47Å; R1080-T1111 PolarHBondContact NH2-O 3Å; R1080-L1112 WeakPolarHBondContact CG-O 3.4Å; R1080-N1114 VanDerWaalsContact CZ-O 3.29Å; R1080-N1114 PolarHBondContact NH1-O 2.71Å; R1080-P1115 PolarHBondContact NH1-O 2.91Å; R1080-P1115 VanDerWaalsContact NH1-O 3.14Å; R1080-V1117 PolarHBondContact NH1-O 3.35Å; R1080-V1117 PolarHBondContact NH2-O 2.96Å; R1080-L1122 HydrophobicContact CG-CD2 4.25Å
1081E88.9Confident84.3Confident67 Ų6732.7 Ų32.731%0.31319%0.185SC..Hα-helixtrans-61.3-56.3175.7-171.4174.9-165.200110.9K935 P1077 L1078 I1083 S1084 D1085K935-E1081 WeakPolarHBondContact CE-OE1 3.44Å; K935-E1081 WeakPolarHBondContact CE-OE2 3.33Å; K935-E1081 IonicContact NZ-OE1 2.73Å; K935-E1081 PolarHBondContact NZ-OE1 2.7Å; K935-E1081 IonicContact NZ-OE2 2.67Å; K935-E1081 PolarHBondContact NZ-OE2 3.33Å; P1077-E1081 WeakPolarHBondContact O-CB 3.39Å; P1077-E1081 PolarHBondContact O-N 3.3Å; L1078-E1081 PolarHBondContact O-N 3.13Å; E1081-I1083 VanDerWaalsContact C-N 3.34Å; E1081-I1083 PolarHBondContact O-N 3.25Å; E1081-S1084 WeakPolarHBondContact O-CB 3.32Å; E1081-S1084 PolarHBondContact O-N 3.09Å; E1081-D1085 PolarHBondContact O-N 2.91Å
1082I89.7Confident85.1Confident0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-59.3-43.6179.3-65.1169000111.2V938 Y939 A952 T955 V956 L1078 S1084 D1085 F1086 F1090V938-I1082 HydrophobicContact CG2-CD1 4.42Å; Y939-I1082 HydrophobicContact CE2-CG1 4Å; A952-I1082 HydrophobicContact CB-CG2 3.64Å; T955-I1082 HydrophobicContact CG2-CD1 3.78Å; V956-I1082 HydrophobicContact CG2-CB 4.19Å; V956-I1082 HydrophobicContact CG2-CG2 3.58Å; L1078-I1082 HydrophobicContact CD1-CD1 3.75Å; L1078-I1082 HydrophobicContact CD1-CG1 3.97Å; L1078-I1082 HydrophobicContact CD2-CD1 4.39Å; L1078-I1082 HydrophobicContact CG-CD1 3.78Å; L1078-I1082 HydrophobicContact CG-CG1 4.37Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.23Å; L1078-I1082 PolarHBondContact O-N 3.45Å; I1082-S1084 VanDerWaalsContact C-N 3.3Å; I1082-S1084 PolarHBondContact O-N 3.49Å; I1082-D1085 PolarHBondContact O-N 2.82Å; I1082-F1086 HydrophobicContact CG2-CD2 4.02Å; I1082-F1086 WeakPolarHBondContact O-CD2 3.35Å; I1082-F1086 PolarHBondContact O-N 2.98Å; I1082-F1090 HydrophobicContact CG2-CE2 3.94Å; I1082-F1090 HydrophobicContact CG2-CZ 4.06Å; I1082-F1090 WeakPolarHBondContact O-CE2 3.26Å
1083I88.5Confident85.6Confident2 Ų239.5 Ų39.51%0.0121%0.211CC..Hα-helixtrans-63.4-34.9177.2-69.2-71.1000112.1V956 F1079 E1081 Q1087 F1090 M1103 L1112V956-I1083 HydrophobicContact CG1-CD1 4.04Å; V956-I1083 HydrophobicContact CG2-CD1 4.07Å; V956-I1083 HydrophobicContact CG2-CG1 4.33Å; F1079-I1083 HydrophobicContact CD1-CG1 4.07Å; F1079-I1083 HydrophobicContact CE1-CD1 4.37Å; F1079-I1083 HydrophobicContact CE1-CG1 3.7Å; F1079-I1083 HydrophobicContact CZ-CD1 4.16Å; F1079-I1083 HydrophobicContact CZ-CG1 3.93Å; F1079-I1083 WeakPolarHBondContact O-CB 3.47Å; F1079-I1083 WeakPolarHBondContact O-CG1 3.42Å; F1079-I1083 PolarHBondContact O-N 2.94Å; E1081-I1083 VanDerWaalsContact C-N 3.34Å; E1081-I1083 PolarHBondContact O-N 3.25Å; I1083-Q1087 VanDerWaalsContact O-CA 3.25Å; I1083-Q1087 WeakPolarHBondContact O-CA 3.39Å; I1083-Q1087 WeakPolarHBondContact O-CB 3.24Å; I1083-Q1087 PolarHBondContact O-N 3.23Å; I1083-F1090 HydrophobicContact CD1-CD2 3.84Å; I1083-F1090 HydrophobicContact CD1-CE2 3.94Å; I1083-F1090 HydrophobicContact CD1-CG 4.27Å; I1083-F1090 HydrophobicContact CD1-CZ 4.48Å; I1083-M1103 HydrophobicContact CD1-CE 4.08Å; I1083-M1103 HydrophobicContact CG2-CE 3.84Å; I1083-L1112 HydrophobicContact CG2-CB 4.1Å; I1083-L1112 HydrophobicContact CG2-CD1 4.46Å
1084S87.3Confident86.3Confident38 Ų3836.3 Ų36.327%0.26619%0.194SC..Hα-helixtrans-72.7-44.8177.6-177.50000112.3R1080 E1081 I1082 Q1087 R1113R1080-S1084 VanDerWaalsContact O-CB 3.29Å; R1080-S1084 WeakPolarHBondContact O-CB 3.49Å; R1080-S1084 PolarHBondContact O-N 3.47Å; E1081-S1084 WeakPolarHBondContact O-CB 3.32Å; E1081-S1084 PolarHBondContact O-N 3.09Å; I1082-S1084 VanDerWaalsContact C-N 3.3Å; I1082-S1084 PolarHBondContact O-N 3.49Å; S1084-Q1087 WeakPolarHBondContact O-CB 3.17Å; S1084-R1113 PolarHBondContact OG-NE 3.24Å; S1084-R1113 PolarHBondContact OG-NH2 2.93Å
1085D88.4Confident86.8Confident88 Ų8835.7 Ų35.747%0.47119%0.188SC..Hα-helixtrans-72.5-38.8-174.5-66-13000112Y939 E1081 I1082Y939-D1085 VanDerWaalsContact CE1-OD2 3.29Å; Y939-D1085 WeakPolarHBondContact CE1-OD2 3.46Å; Y939-D1085 PolarHBondContact OH-OD2 3.27Å; E1081-D1085 PolarHBondContact O-N 2.91Å; I1082-D1085 PolarHBondContact O-N 2.82Å
1086F89Confident86.8Confident20 Ų2035.2 Ų35.29%0.08819%0.185CC..THydrogen-bonded Turntrans-99.619.5178.6-60.6-90.6000112.6V938 Y939 C948 Q949 A952 I1082 S1088 Y1089 F1090V938-F1086 HydrophobicContact CG1-CE2 3.93Å; V938-F1086 HydrophobicContact CG1-CZ 4.13Å; Y939-F1086 HydrophobicContact CE1-CE2 4.21Å; C948-F1086 HydrophobicContact CB-CE1 3.86Å; C948-F1086 HydrophobicContact CB-CZ 3.89Å; Q949-F1086 HydrophobicContact CG-CD1 3.9Å; Q949-F1086 HydrophobicContact CG-CE1 4.29Å; A952-F1086 HydrophobicContact CB-CD1 4.29Å; A952-F1086 HydrophobicContact CB-CD2 3.75Å; A952-F1086 HydrophobicContact CB-CE1 4.4Å; A952-F1086 HydrophobicContact CB-CE2 3.88Å; A952-F1086 HydrophobicContact CB-CG 3.97Å; A952-F1086 HydrophobicContact CB-CZ 4.21Å; I1082-F1086 HydrophobicContact CG2-CD2 4.02Å; I1082-F1086 WeakPolarHBondContact O-CD2 3.35Å; I1082-F1086 PolarHBondContact O-N 2.98Å; F1086-S1088 VanDerWaalsContact C-N 3.31Å; F1086-S1088 PolarHBondContact O-N 2.91Å; F1086-Y1089 WeakPolarHBondContact O-CB 3.44Å; F1086-Y1089 PolarHBondContact O-N 3.38Å; F1086-F1090 HydrophobicContact CB-CD2 3.81Å; F1086-F1090 HydrophobicContact CB-CE2 3.55Å; F1086-F1090 HydrophobicContact CB-CZ 4.29Å; F1086-F1090 WeakPolarHBondContact O-CD2 3.44Å; F1086-F1090 PolarHBondContact O-N 3.25Å
1087Q85.7Confident86.5Confident37 Ų3738.6 Ų38.617%0.17321%0.206CC..Hα-helixtrans-48.9-48.7-175.2-175.1-165.7-27.200112.7I1083 S1084 Y1089 F1090 Q1091 M1103I1083-Q1087 VanDerWaalsContact O-CA 3.25Å; I1083-Q1087 WeakPolarHBondContact O-CA 3.39Å; I1083-Q1087 WeakPolarHBondContact O-CB 3.24Å; I1083-Q1087 PolarHBondContact O-N 3.23Å; S1084-Q1087 WeakPolarHBondContact O-CB 3.17Å; Q1087-Y1089 PolarHBondContact O-N 3.46Å; Q1087-F1090 PolarHBondContact O-N 2.89Å; Q1087-F1090 VanDerWaalsContact O-N 3.17Å; Q1087-Q1091 HydrophobicContact CG-CG 4.23Å; Q1087-Q1091 WeakPolarHBondContact O-CG 3.35Å; Q1087-Q1091 PolarHBondContact O-N 2.88Å; Q1087-M1103 HydrophobicContact CG-SD 4.08Å
1088S84.6Confident86.2Confident79 Ų7943.1 Ų43.155%0.55222%0.22SC*.Hα-helixtrans-66.5-20.5-176.461.30000114.2F1086F1086-S1088 VanDerWaalsContact C-N 3.31Å; F1086-S1088 PolarHBondContact O-N 2.91Å
1089Y87.8Confident85.7Confident53 Ų5345 Ų4521%0.20824%0.24CC..Hα-helixtrans-86.7-44.5171.6171.6-104.3000110.9Q949 L953 F1086 Q1087 K1092 T1093Q949-Y1089 HydrophobicContact CB-CD1 3.92Å; Q949-Y1089 HydrophobicContact CB-CD2 4.1Å; Q949-Y1089 HydrophobicContact CB-CE1 3.78Å; Q949-Y1089 HydrophobicContact CB-CE2 3.98Å; Q949-Y1089 HydrophobicContact CB-CG 4.08Å; Q949-Y1089 HydrophobicContact CG-CD1 3.9Å; Q949-Y1089 HydrophobicContact CG-CD2 3.83Å; Q949-Y1089 HydrophobicContact CG-CE1 4.27Å; Q949-Y1089 HydrophobicContact CG-CE2 4.22Å; Q949-Y1089 HydrophobicContact CG-CG 3.66Å; L953-Y1089 HydrophobicContact CB-CE1 4.26Å; L953-Y1089 HydrophobicContact CD2-CE1 4.44Å; F1086-Y1089 WeakPolarHBondContact O-CB 3.44Å; F1086-Y1089 PolarHBondContact O-N 3.38Å; Q1087-Y1089 PolarHBondContact O-N 3.46Å; Y1089-K1092 PolarHBondContact O-N 2.98Å; Y1089-T1093 HydrophobicContact CE1-CG2 4.49Å; Y1089-T1093 WeakPolarHBondContact O-CB 3.49Å; Y1089-T1093 PolarHBondContact O-N 2.87Å; Y1089-T1093 VanDerWaalsContact O-N 3.16Å; Y1089-T1093 PolarHBondContact O-OG1 3.25Å
1090F89.3Confident85.4Confident0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-65.8-38.3178.9-71.7-52.6000113.6A952 L953 V956 I1082 I1083 F1086 Q1087 K1092 T1093 L1094 M1103A952-F1090 HydrophobicContact CB-CZ 4.11Å; L953-F1090 HydrophobicContact CB-CE1 4.1Å; L953-F1090 HydrophobicContact CD1-CD1 4.1Å; L953-F1090 HydrophobicContact CD1-CE1 3.69Å; V956-F1090 HydrophobicContact CB-CZ 4.26Å; V956-F1090 HydrophobicContact CG2-CE1 4.47Å; V956-F1090 HydrophobicContact CG2-CE2 4.21Å; V956-F1090 HydrophobicContact CG2-CZ 3.74Å; I1082-F1090 HydrophobicContact CG2-CE2 3.94Å; I1082-F1090 HydrophobicContact CG2-CZ 4.06Å; I1082-F1090 WeakPolarHBondContact O-CE2 3.26Å; I1083-F1090 HydrophobicContact CD1-CD2 3.84Å; I1083-F1090 HydrophobicContact CD1-CE2 3.94Å; I1083-F1090 HydrophobicContact CD1-CG 4.27Å; I1083-F1090 HydrophobicContact CD1-CZ 4.48Å; F1086-F1090 HydrophobicContact CB-CD2 3.81Å; F1086-F1090 HydrophobicContact CB-CE2 3.55Å; F1086-F1090 HydrophobicContact CB-CZ 4.29Å; F1086-F1090 WeakPolarHBondContact O-CD2 3.44Å; F1086-F1090 PolarHBondContact O-N 3.25Å; Q1087-F1090 PolarHBondContact O-N 2.89Å; Q1087-F1090 VanDerWaalsContact O-N 3.17Å; F1090-K1092 PolarHBondContact O-N 3.14Å; F1090-T1093 PolarHBondContact O-N 3.35Å; F1090-T1093 VanDerWaalsContact O-N 3.09Å; F1090-L1094 HydrophobicContact CB-CD1 4.18Å; F1090-L1094 HydrophobicContact CB-CG 4.46Å; F1090-L1094 HydrophobicContact CD1-CD1 3.84Å; F1090-L1094 HydrophobicContact CD1-CG 4.07Å; F1090-L1094 HydrophobicContact CG-CD1 4.24Å; F1090-L1094 WeakPolarHBondContact O-CB 3.42Å; F1090-L1094 PolarHBondContact O-N 3.35Å; F1090-M1103 HydrophobicContact CB-CE 3.6Å; F1090-M1103 HydrophobicContact CB-SD 4.11Å; F1090-M1103 HydrophobicContact CG-CE 4.44Å
1091Q85.5Confident85.1Confident38 Ų3851.3 Ų51.318%0.17827%0.271CS..Hα-helixtrans-54.1-36.6174.8-77.3174.2-6200112.5Q1087 L1095 E1101 M1103 N1104Q1087-Q1091 HydrophobicContact CG-CG 4.23Å; Q1087-Q1091 WeakPolarHBondContact O-CG 3.35Å; Q1087-Q1091 PolarHBondContact O-N 2.88Å; Q1091-L1095 WeakPolarHBondContact O-CD2 3.46Å; Q1091-E1101 WeakPolarHBondContact O-CG 3.33Å; Q1091-M1103 HydrophobicContact CG-CB 4.09Å; Q1091-M1103 HydrophobicContact CG-CG 4.08Å; Q1091-M1103 HydrophobicContact CG-SD 3.79Å; Q1091-N1104 PolarHBondContact NE2-OD1 3.39Å
1092K85.9Confident84.7Confident149 Ų14948.8 Ų48.865%0.64826%0.259SS*.Hα-helixtrans-88.1-15.9-179-61.9176.7-177175.80114Y1089 F1090Y1089-K1092 PolarHBondContact O-N 2.98Å; F1090-K1092 PolarHBondContact O-N 3.14Å
1093T87.1Confident84.4Confident27 Ų2748.8 Ų48.817%0.16626%0.259CS..Hα-helixtrans-109.8-41.2-170.1-54.10000112.2L953 Y1089 F1090 L1095 H1138L953-T1093 HydrophobicContact CD1-CG2 4.29Å; L953-T1093 HydrophobicContact CD2-CG2 4.1Å; Y1089-T1093 HydrophobicContact CE1-CG2 4.49Å; Y1089-T1093 WeakPolarHBondContact O-CB 3.49Å; Y1089-T1093 PolarHBondContact O-N 2.87Å; Y1089-T1093 VanDerWaalsContact O-N 3.16Å; Y1089-T1093 PolarHBondContact O-OG1 3.25Å; F1090-T1093 PolarHBondContact O-N 3.35Å; F1090-T1093 VanDerWaalsContact O-N 3.09Å; T1093-L1095 PolarHBondContact O-N 3.25Å; T1093-H1138 HydrophobicContact CG2-CB 4.41Å; T1093-H1138 WeakPolarHBondContact O-CB 3.46Å; T1093-H1138 PolarHBondContact O-CD2 3.11Å; T1093-H1138 PolarHBondContact O-ND1 3.3Å
1094L87.4Confident83.9Confident0 Ų052.4 Ų52.40%028%0.279CS..SBendtrans-87.381.2175.5-60.9-178.7000108.6L953 F1090 I1102 M1103 W1131 S1134 L1135 H1138 A1139L953-L1094 HydrophobicContact CD1-CD2 4.03Å; F1090-L1094 HydrophobicContact CB-CD1 4.18Å; F1090-L1094 HydrophobicContact CB-CG 4.46Å; F1090-L1094 HydrophobicContact CD1-CD1 3.84Å; F1090-L1094 HydrophobicContact CD1-CG 4.07Å; F1090-L1094 HydrophobicContact CG-CD1 4.24Å; F1090-L1094 WeakPolarHBondContact O-CB 3.42Å; F1090-L1094 PolarHBondContact O-N 3.35Å; L1094-I1102 VanDerWaalsContact O-CG1 3.22Å; L1094-I1102 WeakPolarHBondContact O-CG1 3.44Å; L1094-M1103 HydrophobicContact CD1-CE 4.41Å; L1094-W1131 HydrophobicContact CD1-CZ3 4.01Å; L1094-S1134 VanDerWaalsContact CA-OG 3.25Å; L1094-S1134 WeakPolarHBondContact CA-OG 3.42Å; L1094-L1135 HydrophobicContact CD1-CD2 4.15Å; L1094-L1135 HydrophobicContact CD2-CD2 4.08Å; L1094-H1138 HydrophobicContact CD2-CB 4.33Å; L1094-A1139 HydrophobicContact CD2-CB 4.25Å
1095L85.3Confident83.6Confident41 Ų4154.8 Ų54.822%0.21529%0.288CS..  trans-100.2146179.5-56.9179.6000111.2Q1091 T1093 Q1100 E1101 S1134Q1091-L1095 WeakPolarHBondContact O-CD2 3.46Å; T1093-L1095 PolarHBondContact O-N 3.25Å; L1095-Q1100 CarbonylContact C-O 3.48Å; L1095-Q1100 WeakPolarHBondContact CA-O 3.33Å; L1095-E1101 HydrophobicContact CD2-CB 4.42Å; L1095-E1101 HydrophobicContact CD2-CG 3.83Å; L1095-S1134 PolarHBondContact N-OG 3.25Å; L1095-S1134 VanDerWaalsContact O-CB 3.27Å; L1095-S1134 WeakPolarHBondContact O-CB 3.42Å; L1095-S1134 PolarHBondContact O-OG 3.37Å; L1095-S1134 VanDerWaalsContact O-OG 3.14Å
1096G80.1Confident83.1Confident1 Ų158.3 Ų58.31%0.0130%0.301CS..  trans-67.4179.5174.300000113.4H1098 G1099 Q1100G1096-H1098 PolarHBondContact O-N 3.45Å; G1096-H1098 VanDerWaalsContact O-N 3.11Å; G1096-G1099 PolarHBondContact O-N 2.99Å; G1096-Q1100 PolarHBondContact N-O 2.94Å
1097T75.8Confident82.7Confident72 Ų7265 Ų6544%0.44233%0.33SS..THydrogen-bonded Turntrans-55-31.2-177.145.50000114.2T1133T1097-T1133 HydrophobicContact CG2-CG2 4.01Å
1098H78.7Confident82.6Confident170 Ų17064 Ų6479%0.78733%0.327SS*.THydrogen-bonded Turntrans-103.512.4179.8-53.7-69.8000113.1G1096G1096-H1098 PolarHBondContact O-N 3.45Å; G1096-H1098 VanDerWaalsContact O-N 3.11Å
1099G76.5Confident82.4Confident43 Ų4361.8 Ų61.844%0.44331%0.309SS..SBendtrans83.18.6-178.900000114.7G1096G1096-G1099 PolarHBondContact O-N 2.99Å
1100Q82.5Confident82.1Confident67 Ų6763 Ų6331%0.31332%0.319SS..  trans-72.1142.6177.973-80.621.200112.4L1095 G1096 I1102 E1130L1095-Q1100 CarbonylContact C-O 3.48Å; L1095-Q1100 WeakPolarHBondContact CA-O 3.33Å; G1096-Q1100 PolarHBondContact N-O 2.94Å; Q1100-I1102 HydrophobicContact CG-CG2 4.09Å; Q1100-I1102 PolarHBondContact O-N 2.93Å; Q1100-E1130 PolarHBondContact NE2-OE1 3Å
1101E82.4Confident81.8Confident86 Ų8663.8 Ų63.840%0.40232%0.323SS..  trans-74.184.4177.1-60.4-170.7166.900110.8Q1091 L1095 M1103 N1104Q1091-E1101 WeakPolarHBondContact O-CG 3.33Å; L1095-E1101 HydrophobicContact CD2-CB 4.42Å; L1095-E1101 HydrophobicContact CD2-CG 3.83Å; E1101-M1103 PolarHBondContact O-N 2.98Å; E1101-N1104 PolarHBondContact O-N 3.45Å; E1101-N1104 PolarHBondContact OE2-ND2 2.89Å
1102I81.1Confident81.6Confident14 Ų1462 Ų627%0.07232%0.315CS..G310 helixtrans-60.3-17.4-176.254168.4000114.3L1094 Q1100 N1104 W1131L1094-I1102 VanDerWaalsContact O-CG1 3.22Å; L1094-I1102 WeakPolarHBondContact O-CG1 3.44Å; Q1100-I1102 HydrophobicContact CG-CG2 4.09Å; Q1100-I1102 PolarHBondContact O-N 2.93Å; I1102-N1104 VanDerWaalsContact C-N 3.34Å; I1102-W1131 HydrophobicContact CD1-CD2 3.87Å; I1102-W1131 HydrophobicContact CD1-CE3 4.29Å; I1102-W1131 HydrophobicContact CD1-CG 4.18Å; I1102-W1131 HydrophobicContact CD1-CH2 4.44Å; I1102-W1131 HydrophobicContact CD1-CZ2 4.02Å; I1102-W1131 HydrophobicContact CG1-CZ2 4.13Å
1103M82.6Confident81.3Confident0 Ų059.8 Ų59.80%030%0.303CS..G310 helixtrans-80.9-6.9175.9-169.4178.4-77.500113I1083 Q1087 F1090 Q1091 L1094 E1101 L1109 L1112 W1131I1083-M1103 HydrophobicContact CD1-CE 4.08Å; I1083-M1103 HydrophobicContact CG2-CE 3.84Å; Q1087-M1103 HydrophobicContact CG-SD 4.08Å; F1090-M1103 HydrophobicContact CB-CE 3.6Å; F1090-M1103 HydrophobicContact CB-SD 4.11Å; F1090-M1103 HydrophobicContact CG-CE 4.44Å; Q1091-M1103 HydrophobicContact CG-CB 4.09Å; Q1091-M1103 HydrophobicContact CG-CG 4.08Å; Q1091-M1103 HydrophobicContact CG-SD 3.79Å; L1094-M1103 HydrophobicContact CD1-CE 4.41Å; E1101-M1103 PolarHBondContact O-N 2.98Å; M1103-L1109 HydrophobicContact CG-CD2 3.98Å; M1103-L1109 WeakPolarHBondContact O-CD1 3.4Å; M1103-L1109 WeakPolarHBondContact O-CG 3.45Å; M1103-L1112 HydrophobicContact CE-CD1 4.16Å; M1103-L1112 HydrophobicContact CG-CD1 4.14Å; M1103-W1131 HydrophobicContact CB-CH2 4.49Å; M1103-W1131 HydrophobicContact CE-CH2 3.97Å
1104N79.7Confident81Confident78 Ų7861 Ų6142%0.41731%0.309SS..G310 helixtrans-83.7-7.7-179.1-72.9-10.9000114.9Q1091 E1101 I1102 H1106Q1091-N1104 PolarHBondContact NE2-OD1 3.39Å; E1101-N1104 PolarHBondContact O-N 3.45Å; E1101-N1104 PolarHBondContact OE2-ND2 2.89Å; I1102-N1104 VanDerWaalsContact C-N 3.34Å; N1104-H1106 PolarHBondContact O-N 3.21Å
1105D79.6Confident80.4Confident88 Ų8866.1 Ų66.147%0.47134%0.342SS..  trans-65123.5171.2177.2-15.8000109.7K1107 V1108 L1109D1105-K1107 PolarHBondContact O-N 3.49Å; D1105-K1107 VanDerWaalsContact OD1-CB 3.27Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.39Å; D1105-K1107 PolarHBondContact OD1-N 3Å; D1105-V1108 HydrophobicContact CB-CB 3.89Å; D1105-V1108 HydrophobicContact CB-CG2 3.72Å; D1105-V1108 WeakPolarHBondContact O-CB 3.26Å; D1105-V1108 PolarHBondContact O-N 2.94Å; D1105-V1108 VanDerWaalsContact O-N 3.08Å; D1105-L1109 PolarHBondContact O-N 2.69Å
1106H78.5Confident80Confident161 Ų16169 Ų6975%0.74537%0.365SS*.Hα-helixtrans-61.3-29.1-176.8-155.4-27.4000113N1104 N1110N1104-H1106 PolarHBondContact O-N 3.21Å; H1106-N1110 PolarHBondContact O-N 3.35Å; H1106-N1110 VanDerWaalsContact O-N 3.15Å
1107K81.2Confident79.9Confident160 Ų16069.9 Ų69.970%0.69637%0.37SS*.Hα-helixtrans-72.8-43.6174.8-166.2-179.2-176.3-176.10110.7D1105 N1110 T1111D1105-K1107 PolarHBondContact O-N 3.49Å; D1105-K1107 VanDerWaalsContact OD1-CB 3.27Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.39Å; D1105-K1107 PolarHBondContact OD1-N 3Å; K1107-N1110 WeakPolarHBondContact O-CB 3.15Å; K1107-N1110 PolarHBondContact O-N 3.35Å; K1107-T1111 PolarHBondContact O-N 2.86Å; K1107-T1111 PolarHBondContact O-OG1 3.3Å
1108V82.6Confident80.1Confident16 Ų1668 Ų6810%0.09736%0.36CS..Hα-helixtrans-60.8-46.7175.1170.60000110.8D1105 N1110 T1111 L1112 L1125 W1131D1105-V1108 HydrophobicContact CB-CB 3.89Å; D1105-V1108 HydrophobicContact CB-CG2 3.72Å; D1105-V1108 WeakPolarHBondContact O-CB 3.26Å; D1105-V1108 PolarHBondContact O-N 2.94Å; D1105-V1108 VanDerWaalsContact O-N 3.08Å; V1108-N1110 VanDerWaalsContact C-N 3.33Å; V1108-N1110 PolarHBondContact O-N 2.96Å; V1108-T1111 PolarHBondContact O-N 3.46Å; V1108-L1112 HydrophobicContact CG1-CD1 3.56Å; V1108-L1112 HydrophobicContact CG1-CG 4.26Å; V1108-L1112 WeakPolarHBondContact O-CB 3.28Å; V1108-L1112 VanDerWaalsContact O-CG 3.23Å; V1108-L1112 WeakPolarHBondContact O-CG 3.34Å; V1108-L1112 PolarHBondContact O-N 3.35Å; V1108-L1125 HydrophobicContact CG1-CD1 4.33Å; V1108-L1125 HydrophobicContact CG1-CD2 4.06Å; V1108-L1125 HydrophobicContact CG2-CD1 3.95Å; V1108-W1131 HydrophobicContact CG1-CZ2 3.57Å
1109L80Confident80Confident34 Ų3460.6 Ų60.618%0.17833%0.327CS..Hα-helixtrans-59.1-40.5173.9-78.7161.7000113M1103 D1105 L1112 R1113M1103-L1109 HydrophobicContact CG-CD2 3.98Å; M1103-L1109 WeakPolarHBondContact O-CD1 3.4Å; M1103-L1109 WeakPolarHBondContact O-CG 3.45Å; D1105-L1109 PolarHBondContact O-N 2.69Å; L1109-L1112 PolarHBondContact O-N 3.5Å; L1109-R1113 WeakPolarHBondContact O-CB 3.42Å; L1109-R1113 WeakPolarHBondContact O-CG 3.43Å; L1109-R1113 PolarHBondContact O-N 2.87Å
1110N81.4Confident80Confident79 Ų7959.7 Ų59.742%0.42231%0.313SS..Hα-helixtrans-62.8-47.9176.2-166.218.7000110.4H1106 K1107 V1108 L1112 R1113 N1114H1106-N1110 PolarHBondContact O-N 3.35Å; H1106-N1110 VanDerWaalsContact O-N 3.15Å; K1107-N1110 WeakPolarHBondContact O-CB 3.15Å; K1107-N1110 PolarHBondContact O-N 3.35Å; V1108-N1110 VanDerWaalsContact C-N 3.33Å; V1108-N1110 PolarHBondContact O-N 2.96Å; N1110-L1112 PolarHBondContact O-N 3.34Å; N1110-R1113 PolarHBondContact O-N 2.93Å; N1110-N1114 WeakPolarHBondContact O-CB 3.23Å; N1110-N1114 PolarHBondContact O-N 2.67Å; N1110-N1114 VanDerWaalsContact OD1-CB 3.23Å; N1110-N1114 WeakPolarHBondContact OD1-CB 3.36Å; N1110-N1114 PolarHBondContact OD1-ND2 3.06Å
1111T83.5Confident80Confident15 Ų1560.9 Ų60.99%0.09232%0.318CS..Hα-helixtrans-62.1-38.5177.4-58.30000113.6R1080 K1107 V1108 V1117 E1121 L1122 L1125R1080-T1111 PolarHBondContact NH2-O 3Å; K1107-T1111 PolarHBondContact O-N 2.86Å; K1107-T1111 PolarHBondContact O-OG1 3.3Å; V1108-T1111 PolarHBondContact O-N 3.46Å; T1111-V1117 HydrophobicContact CG2-CG1 4.09Å; T1111-E1121 HydrophobicContact CG2-CB 4.23Å; T1111-L1122 HydrophobicContact CG2-CB 4.24Å; T1111-L1122 HydrophobicContact CG2-CD1 4.44Å; T1111-L1125 HydrophobicContact CG2-CB 4.37Å; T1111-L1125 HydrophobicContact CG2-CD2 4.07Å
1112L82.7Confident80.1Confident0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-78.1-27.4-178.2-72.1172.2000114.5F1079 R1080 I1083 M1103 V1108 L1109 N1110 L1122 L1125 W1131F1079-L1112 HydrophobicContact CE1-CD2 3.82Å; F1079-L1112 HydrophobicContact CZ-CD2 4.5Å; R1080-L1112 WeakPolarHBondContact CG-O 3.4Å; I1083-L1112 HydrophobicContact CG2-CB 4.1Å; I1083-L1112 HydrophobicContact CG2-CD1 4.46Å; M1103-L1112 HydrophobicContact CE-CD1 4.16Å; M1103-L1112 HydrophobicContact CG-CD1 4.14Å; V1108-L1112 HydrophobicContact CG1-CD1 3.56Å; V1108-L1112 HydrophobicContact CG1-CG 4.26Å; V1108-L1112 WeakPolarHBondContact O-CB 3.28Å; V1108-L1112 VanDerWaalsContact O-CG 3.23Å; V1108-L1112 WeakPolarHBondContact O-CG 3.34Å; V1108-L1112 PolarHBondContact O-N 3.35Å; L1109-L1112 PolarHBondContact O-N 3.5Å; N1110-L1112 PolarHBondContact O-N 3.34Å; L1112-L1122 HydrophobicContact CD2-CD1 3.85Å; L1112-L1125 HydrophobicContact CD1-CD2 4.33Å; L1112-L1125 HydrophobicContact CD2-CD2 3.7Å; L1112-L1125 HydrophobicContact CG-CD2 3.71Å; L1112-W1131 HydrophobicContact CD1-CH2 3.62Å; L1112-W1131 HydrophobicContact CD1-CZ2 3.78Å; L1112-W1131 HydrophobicContact CD2-CH2 4.44Å
1113R78.4Confident80.1Confident103 Ų10356.1 Ų56.139%0.38930%0.296SS..Hα-helixtrans-110.3-38.5-174.8-59.3-173.979.2175.315.7113.6S1084 L1109 N1110 P1115S1084-R1113 PolarHBondContact OG-NE 3.24Å; S1084-R1113 PolarHBondContact OG-NH2 2.93Å; L1109-R1113 WeakPolarHBondContact O-CB 3.42Å; L1109-R1113 WeakPolarHBondContact O-CG 3.43Å; L1109-R1113 PolarHBondContact O-N 2.87Å; N1110-R1113 PolarHBondContact O-N 2.93Å; R1113-P1115 VanDerWaalsContact O-CD 3.26Å; R1113-P1115 WeakPolarHBondContact O-CD 3.38Å
1114N80.3Confident80.1Confident54 Ų5461 Ų6129%0.28932%0.32SS..  trans-75.8117.3-169.2-175.2-5.3000111.2R1080 N1110 S1116 V1117R1080-N1114 VanDerWaalsContact CZ-O 3.29Å; R1080-N1114 PolarHBondContact NH1-O 2.71Å; N1110-N1114 WeakPolarHBondContact O-CB 3.23Å; N1110-N1114 PolarHBondContact O-N 2.67Å; N1110-N1114 VanDerWaalsContact OD1-CB 3.23Å; N1110-N1114 WeakPolarHBondContact OD1-CB 3.36Å; N1110-N1114 PolarHBondContact OD1-ND2 3.06Å; N1114-S1116 PolarHBondContact ND2-OG 3.22Å; N1114-S1116 VanDerWaalsContact ND2-OG 3.16Å; N1114-S1116 PolarHBondContact O-N 3.11Å; N1114-S1116 WeakPolarHBondContact OD1-CB 3.33Å; N1114-S1116 PolarHBondContact OD1-N 2.93Å; N1114-S1116 PolarHBondContact OD1-OG 2.99Å; N1114-S1116 VanDerWaalsContact OD1-OG 3.05Å; N1114-V1117 HydrophobicContact CB-CG2 3.92Å; N1114-V1117 PolarHBondContact O-N 3.48Å; N1114-V1117 VanDerWaalsContact O-N 3.14Å
1115P75.2Confident80.4Confident107 Ų10758.6 Ų58.670%0.69531%0.306SS*.THydrogen-bonded Turntrans-60.3-27.4178.4-22.734.9000113.1R1080 R1113 V1117R1080-P1115 PolarHBondContact NH1-O 2.91Å; R1080-P1115 VanDerWaalsContact NH1-O 3.14Å; R1113-P1115 VanDerWaalsContact O-CD 3.26Å; R1113-P1115 WeakPolarHBondContact O-CD 3.38Å; P1115-V1117 VanDerWaalsContact C-N 3.26Å; P1115-V1117 PolarHBondContact O-N 2.93Å
1116S76.7Confident80.7Confident100 Ų10054.4 Ų54.470%0.69928%0.284SS*.THydrogen-bonded Turntrans-75.4-11.2-179.185.30000114N1114N1114-S1116 PolarHBondContact ND2-OG 3.22Å; N1114-S1116 VanDerWaalsContact ND2-OG 3.16Å; N1114-S1116 PolarHBondContact O-N 3.11Å; N1114-S1116 WeakPolarHBondContact OD1-CB 3.33Å; N1114-S1116 PolarHBondContact OD1-N 2.93Å; N1114-S1116 PolarHBondContact OD1-OG 2.99Å; N1114-S1116 VanDerWaalsContact OD1-OG 3.05Å
1117V79.2Confident80.9Confident20 Ų2048.8 Ų48.812%0.12126%0.262CS..SBendtrans-75.9139.7176.5173.50000109.8R1080 T1111 N1114 P1115 V1119 E1121R1080-V1117 PolarHBondContact NH1-O 3.35Å; R1080-V1117 PolarHBondContact NH2-O 2.96Å; T1111-V1117 HydrophobicContact CG2-CG1 4.09Å; N1114-V1117 HydrophobicContact CB-CG2 3.92Å; N1114-V1117 PolarHBondContact O-N 3.48Å; N1114-V1117 VanDerWaalsContact O-N 3.14Å; P1115-V1117 VanDerWaalsContact C-N 3.26Å; P1115-V1117 PolarHBondContact O-N 2.93Å; V1117-V1119 PolarHBondContact O-N 3.4Å; V1117-E1121 HydrophobicContact CG1-CB 4Å; V1117-E1121 WeakPolarHBondContact CG1-OE2 3.33Å
1118S78.7Confident81Confident34 Ų3443.4 Ų43.424%0.23825%0.245CC..  trans-50.1127.9175.7-179.70000112V1120 E1121 L1122S1118-V1120 PolarHBondContact O-N 2.97Å; S1118-V1120 WeakPolarHBondContact OG-CB 3.42Å; S1118-V1120 PolarHBondContact OG-N 3.5Å; S1118-E1121 WeakPolarHBondContact O-CB 2.98Å; S1118-E1121 PolarHBondContact O-N 3.45Å; S1118-L1122 PolarHBondContact O-N 3.27Å
1119V77.4Confident80.8Confident13 Ų1350.3 Ų50.38%0.07928%0.276CS..Hα-helixtrans-61.9-24.3173.4178.90000111.5M963 L1072 D1073 A1076 V1117 L1122 V1123M963-V1119 HydrophobicContact CE-CG1 3.95Å; L1072-V1119 HydrophobicContact CB-CG1 3.44Å; L1072-V1119 VanDerWaalsContact CB-CG1 3.44Å; L1072-V1119 HydrophobicContact CD1-CG1 4.13Å; L1072-V1119 HydrophobicContact CG-CG1 4.42Å; D1073-V1119 WeakPolarHBondContact OD1-CG2 3.39Å; A1076-V1119 HydrophobicContact CB-CB 4.43Å; A1076-V1119 HydrophobicContact CB-CG1 3.69Å; A1076-V1119 HydrophobicContact CB-CG2 3.82Å; V1117-V1119 PolarHBondContact O-N 3.4Å; V1119-L1122 WeakPolarHBondContact O-CB 3.28Å; V1119-L1122 PolarHBondContact O-N 3.05Å; V1119-V1123 PolarHBondContact O-N 2.73Å
1120V76.6Confident80.9Confident25 Ų2552.8 Ų52.815%0.15229%0.287CS..Hα-helixtrans-67-38.7171.7178.20000111.8Y967 L1068 S1118 L1122 V1123 M1124Y967-V1120 HydrophobicContact CE2-CG1 4.04Å; L1068-V1120 HydrophobicContact CB-CG2 4.24Å; L1068-V1120 HydrophobicContact CD1-CG2 4Å; S1118-V1120 PolarHBondContact O-N 2.97Å; S1118-V1120 WeakPolarHBondContact OG-CB 3.42Å; S1118-V1120 PolarHBondContact OG-N 3.5Å; V1120-L1122 VanDerWaalsContact C-N 3.32Å; V1120-V1123 PolarHBondContact O-N 2.94Å; V1120-M1124 WeakPolarHBondContact O-CG 3.39Å; V1120-M1124 PolarHBondContact O-N 3.21Å
1121E81.2Confident81.1Confident92 Ų9249.2 Ų49.243%0.4327%0.267SS..Hα-helixtrans-66.3-36.7174.5-72.9174.3-147.300111.7T1111 V1117 S1118 M1124 L1125T1111-E1121 HydrophobicContact CG2-CB 4.23Å; V1117-E1121 HydrophobicContact CG1-CB 4Å; V1117-E1121 WeakPolarHBondContact CG1-OE2 3.33Å; S1118-E1121 WeakPolarHBondContact O-CB 2.98Å; S1118-E1121 PolarHBondContact O-N 3.45Å; E1121-M1124 HydrophobicContact CB-CE 4.44Å; E1121-M1124 HydrophobicContact CG-CE 3.94Å; E1121-M1124 PolarHBondContact O-N 3.36Å; E1121-L1125 PolarHBondContact O-N 2.92Å
1122L84.8Confident81.1Confident0 Ų051.8 Ų51.80%028%0.278CS..Hα-helixtrans-61.1-42.9173.1178.260.5000111.5M963 A1076 F1079 R1080 T1111 L1112 S1118 V1119 V1120 L1125 L1126M963-L1122 HydrophobicContact CE-CD2 3.97Å; M963-L1122 HydrophobicContact CE-CG 4.36Å; A1076-L1122 HydrophobicContact CB-CD2 4.21Å; F1079-L1122 HydrophobicContact CD1-CD1 4.13Å; F1079-L1122 HydrophobicContact CD1-CD2 4.05Å; F1079-L1122 HydrophobicContact CE1-CD1 3.89Å; R1080-L1122 HydrophobicContact CG-CD2 4.25Å; T1111-L1122 HydrophobicContact CG2-CB 4.24Å; T1111-L1122 HydrophobicContact CG2-CD1 4.44Å; L1112-L1122 HydrophobicContact CD2-CD1 3.85Å; S1118-L1122 PolarHBondContact O-N 3.27Å; V1119-L1122 WeakPolarHBondContact O-CB 3.28Å; V1119-L1122 PolarHBondContact O-N 3.05Å; V1120-L1122 VanDerWaalsContact C-N 3.32Å; L1122-L1125 WeakPolarHBondContact O-CB 3.46Å; L1122-L1125 PolarHBondContact O-N 2.88Å; L1122-L1126 WeakPolarHBondContact O-CG 3.23Å; L1122-L1126 PolarHBondContact O-N 2.8Å
1123V82.9Confident81Confident0 Ų054.3 Ų54.30%029%0.294CS..Hα-helixtrans-72.6-35.6175.5-174.90000112.7M963 V964 Y967 L1072 V1119 V1120 L1125 L1126 C1127M963-V1123 HydrophobicContact CB-CG2 4.05Å; M963-V1123 HydrophobicContact CE-CG2 3.82Å; V964-V1123 HydrophobicContact CG2-CG1 4.3Å; Y967-V1123 HydrophobicContact CD1-CG1 3.76Å; Y967-V1123 HydrophobicContact CD2-CB 4.16Å; Y967-V1123 HydrophobicContact CD2-CG1 3.94Å; Y967-V1123 HydrophobicContact CE1-CG1 4.42Å; Y967-V1123 HydrophobicContact CG-CB 4.21Å; Y967-V1123 HydrophobicContact CG-CG1 3.48Å; Y967-V1123 VanDerWaalsContact CG-CG1 3.48Å; L1072-V1123 HydrophobicContact CD1-CG2 3.77Å; L1072-V1123 HydrophobicContact CD2-CG2 4.27Å; V1119-V1123 PolarHBondContact O-N 2.73Å; V1120-V1123 PolarHBondContact O-N 2.94Å; V1123-L1125 PolarHBondContact O-N 3.48Å; V1123-L1126 CarbonylContact O-C 3.56Å; V1123-L1126 PolarHBondContact O-N 3.15Å; V1123-L1126 VanDerWaalsContact O-N 3.13Å; V1123-C1127 WeakPolarHBondContact O-CB 3.45Å; V1123-C1127 PolarHBondContact O-N 3.44Å; V1123-C1127 PolarHBondContact O-SG 2.92Å; V1123-C1127 VanDerWaalsContact O-SG 3.37Å
1124M81.8Confident81.4Confident103 Ų10349.5 Ų49.551%0.50728%0.276SS..Hα-helixtrans-59-37.4171.6-72.1-165.5-56.800111.9V1120 E1121 C1127 S1128V1120-M1124 WeakPolarHBondContact O-CG 3.39Å; V1120-M1124 PolarHBondContact O-N 3.21Å; E1121-M1124 HydrophobicContact CB-CE 4.44Å; E1121-M1124 HydrophobicContact CG-CE 3.94Å; E1121-M1124 PolarHBondContact O-N 3.36Å; M1124-C1127 PolarHBondContact O-N 2.89Å; M1124-S1128 PolarHBondContact O-N 3.25Å
1125L85.5Confident81.7Confident26 Ų2647.3 Ų47.314%0.13626%0.264CS..Hα-helixtrans-64.5-46.5172.4-179.969.4000111.7V1108 T1111 L1112 E1121 L1122 V1123 C1127 S1128 W1131V1108-L1125 HydrophobicContact CG1-CD1 4.33Å; V1108-L1125 HydrophobicContact CG1-CD2 4.06Å; V1108-L1125 HydrophobicContact CG2-CD1 3.95Å; T1111-L1125 HydrophobicContact CG2-CB 4.37Å; T1111-L1125 HydrophobicContact CG2-CD2 4.07Å; L1112-L1125 HydrophobicContact CD1-CD2 4.33Å; L1112-L1125 HydrophobicContact CD2-CD2 3.7Å; L1112-L1125 HydrophobicContact CG-CD2 3.71Å; E1121-L1125 PolarHBondContact O-N 2.92Å; L1122-L1125 WeakPolarHBondContact O-CB 3.46Å; L1122-L1125 PolarHBondContact O-N 2.88Å; V1123-L1125 PolarHBondContact O-N 3.48Å; L1125-C1127 PolarHBondContact O-N 3.49Å; L1125-S1128 WeakPolarHBondContact O-CB 3.45Å; L1125-S1128 PolarHBondContact O-N 2.87Å; L1125-W1131 HydrophobicContact CD1-CG 4.33Å; L1125-W1131 HydrophobicContact CG-CD2 4.45Å; L1125-W1131 HydrophobicContact CG-CG 4.35Å; L1125-W1131 WeakPolarHBondContact O-CB 3.4Å
1126L85.3Confident82.1Confident1 Ų148.4 Ų48.41%0.00526%0.26CS..Hα-helixtrans-63.2-24.1175-66.7172.7000113.2M963 V964 F1079 L1122 V1123 Q1132 L1135M963-L1126 HydrophobicContact CB-CD1 4.28Å; M963-L1126 HydrophobicContact SD-CD1 4.27Å; V964-L1126 HydrophobicContact CG2-CB 3.86Å; F1079-L1126 HydrophobicContact CE2-CD2 4.29Å; F1079-L1126 HydrophobicContact CZ-CD1 4.49Å; F1079-L1126 HydrophobicContact CZ-CD2 3.79Å; L1122-L1126 WeakPolarHBondContact O-CG 3.23Å; L1122-L1126 PolarHBondContact O-N 2.8Å; V1123-L1126 CarbonylContact O-C 3.56Å; V1123-L1126 PolarHBondContact O-N 3.15Å; V1123-L1126 VanDerWaalsContact O-N 3.13Å; L1126-Q1132 WeakPolarHBondContact O-CG 3.27Å; L1126-L1135 HydrophobicContact CD2-CD1 3.63Å
1127C83.4Confident82.3Confident42 Ų4248.8 Ų48.828%0.28425%0.249SC..THydrogen-bonded Turntrans-83.5-7.1172-72.30000114V1123 M1124 L1125V1123-C1127 WeakPolarHBondContact O-CB 3.45Å; V1123-C1127 PolarHBondContact O-N 3.44Å; V1123-C1127 PolarHBondContact O-SG 2.92Å; V1123-C1127 VanDerWaalsContact O-SG 3.37Å; M1124-C1127 PolarHBondContact O-N 2.89Å; L1125-C1127 PolarHBondContact O-N 3.49Å
1128S83.9Confident82.5Confident47 Ų4750.3 Ų50.333%0.32926%0.255SS..SBendtrans-63.6136.4175178.70000110.7M1124 L1125 E1130 W1131 Q1132M1124-S1128 PolarHBondContact O-N 3.25Å; L1125-S1128 WeakPolarHBondContact O-CB 3.45Å; L1125-S1128 PolarHBondContact O-N 2.87Å; S1128-E1130 PolarHBondContact O-N 3.03Å; S1128-W1131 PolarHBondContact O-N 2.85Å; S1128-Q1132 PolarHBondContact O-N 3.23Å
1129Q78.4Confident82.8Confident161 Ų16148.7 Ų48.775%0.75224%0.244SC*.Hα-helixtrans-56.4-37.5-176.6-172.5176.41.700112.6T1133Q1129-T1133 WeakPolarHBondContact O-CB 3.23Å; Q1129-T1133 PolarHBondContact O-N 2.97Å; Q1129-T1133 PolarHBondContact O-OG1 3.1Å
1130E81.6Confident83.1Confident86 Ų8648.1 Ų48.140%0.40224%0.24SC..Hα-helixtrans-67.7-44.1175.8-64-163.814200112.2Q1100 S1128 T1133 S1134Q1100-E1130 PolarHBondContact NE2-OE1 3Å; S1128-E1130 PolarHBondContact O-N 3.03Å; E1130-T1133 PolarHBondContact O-N 3.34Å; E1130-S1134 WeakPolarHBondContact O-CB 3.35Å; E1130-S1134 PolarHBondContact O-N 3.42Å
1131W84.6Confident83.4Confident5 Ų552.3 Ų52.32%0.01926%0.261CS..Hα-helixtrans-68.3-42.8179.3-87.286.8000112.1L1094 I1102 M1103 V1108 L1112 L1125 S1128 T1133 S1134 L1135L1094-W1131 HydrophobicContact CD1-CZ3 4.01Å; I1102-W1131 HydrophobicContact CD1-CD2 3.87Å; I1102-W1131 HydrophobicContact CD1-CE3 4.29Å; I1102-W1131 HydrophobicContact CD1-CG 4.18Å; I1102-W1131 HydrophobicContact CD1-CH2 4.44Å; I1102-W1131 HydrophobicContact CD1-CZ2 4.02Å; I1102-W1131 HydrophobicContact CG1-CZ2 4.13Å; M1103-W1131 HydrophobicContact CB-CH2 4.49Å; M1103-W1131 HydrophobicContact CE-CH2 3.97Å; V1108-W1131 HydrophobicContact CG1-CZ2 3.57Å; L1112-W1131 HydrophobicContact CD1-CH2 3.62Å; L1112-W1131 HydrophobicContact CD1-CZ2 3.78Å; L1112-W1131 HydrophobicContact CD2-CH2 4.44Å; L1125-W1131 HydrophobicContact CD1-CG 4.33Å; L1125-W1131 HydrophobicContact CG-CD2 4.45Å; L1125-W1131 HydrophobicContact CG-CG 4.35Å; L1125-W1131 WeakPolarHBondContact O-CB 3.4Å; S1128-W1131 PolarHBondContact O-N 2.85Å; W1131-T1133 VanDerWaalsContact C-N 3.35Å; W1131-T1133 PolarHBondContact O-N 2.86Å; W1131-S1134 PolarHBondContact O-N 3.23Å; W1131-L1135 HydrophobicContact CE3-CD1 4.11Å; W1131-L1135 HydrophobicContact CE3-CG 4.26Å; W1131-L1135 VanDerWaalsContact O-CB 3.24Å; W1131-L1135 WeakPolarHBondContact O-CB 3.41Å; W1131-L1135 VanDerWaalsContact O-CG 3.29Å; W1131-L1135 WeakPolarHBondContact O-CG 3.44Å; W1131-L1135 PolarHBondContact O-N 3.38Å
1132Q83.7Confident83.6Confident68 Ų6848.2 Ų48.232%0.31824%0.243SC..Hα-helixtrans-59.2-46.7172.9-70.2-162.1-20.900111.3L1126 S1128 Q1136L1126-Q1132 WeakPolarHBondContact O-CG 3.27Å; S1128-Q1132 PolarHBondContact O-N 3.23Å; Q1132-Q1136 WeakPolarHBondContact O-CB 3.37Å; Q1132-Q1136 PolarHBondContact O-N 3.36Å
1133T81.8Confident83.8Confident54 Ų5448.3 Ų48.333%0.33124%0.244SC..Hα-helixtrans-63-45.3179.1-55.10000111.5T1097 Q1129 E1130 W1131 K1137T1097-T1133 HydrophobicContact CG2-CG2 4.01Å; Q1129-T1133 WeakPolarHBondContact O-CB 3.23Å; Q1129-T1133 PolarHBondContact O-N 2.97Å; Q1129-T1133 PolarHBondContact O-OG1 3.1Å; E1130-T1133 PolarHBondContact O-N 3.34Å; W1131-T1133 VanDerWaalsContact C-N 3.35Å; W1131-T1133 PolarHBondContact O-N 2.86Å; T1133-K1137 WeakPolarHBondContact O-CB 3.33Å; T1133-K1137 PolarHBondContact O-N 3.17Å
1134S86.1Confident83.8Confident2 Ų251.6 Ų51.61%0.01426%0.261CS..Hα-helixtrans-65-49.9178.8175.70000112.3L1094 L1095 E1130 W1131 Q1136 K1137 H1138L1094-S1134 VanDerWaalsContact CA-OG 3.25Å; L1094-S1134 WeakPolarHBondContact CA-OG 3.42Å; L1095-S1134 PolarHBondContact N-OG 3.25Å; L1095-S1134 VanDerWaalsContact O-CB 3.27Å; L1095-S1134 WeakPolarHBondContact O-CB 3.42Å; L1095-S1134 PolarHBondContact O-OG 3.37Å; L1095-S1134 VanDerWaalsContact O-OG 3.14Å; E1130-S1134 WeakPolarHBondContact O-CB 3.35Å; E1130-S1134 PolarHBondContact O-N 3.42Å; W1131-S1134 PolarHBondContact O-N 3.23Å; S1134-Q1136 PolarHBondContact O-N 2.71Å; S1134-K1137 PolarHBondContact O-N 2.81Å; S1134-H1138 WeakPolarHBondContact O-CB 3.35Å; S1134-H1138 PolarHBondContact O-N 2.53Å
1135L86.8Confident84.1Confident7 Ų752.6 Ų52.64%0.03726%0.264CS..Iπ-helixtrans-60.8-45.3178.4-74.8166.5000110.9V956 Y957 L1094 L1126 W1131 A1139 G1140V956-L1135 HydrophobicContact CG1-CD2 4Å; Y957-L1135 WeakPolarHBondContact CD2-O 3.28Å; L1094-L1135 HydrophobicContact CD1-CD2 4.15Å; L1094-L1135 HydrophobicContact CD2-CD2 4.08Å; L1126-L1135 HydrophobicContact CD2-CD1 3.63Å; W1131-L1135 HydrophobicContact CE3-CD1 4.11Å; W1131-L1135 HydrophobicContact CE3-CG 4.26Å; W1131-L1135 VanDerWaalsContact O-CB 3.24Å; W1131-L1135 WeakPolarHBondContact O-CB 3.41Å; W1131-L1135 VanDerWaalsContact O-CG 3.29Å; W1131-L1135 WeakPolarHBondContact O-CG 3.44Å; W1131-L1135 PolarHBondContact O-N 3.38Å; L1135-A1139 HydrophobicContact CD2-CB 4.26Å; L1135-A1139 CarbonylContact O-C 3.53Å; L1135-A1139 VanDerWaalsContact O-CA 3.3Å; L1135-A1139 WeakPolarHBondContact O-CA 3.46Å; L1135-A1139 VanDerWaalsContact O-CB 3.25Å; L1135-A1139 WeakPolarHBondContact O-CB 3.45Å; L1135-A1139 PolarHBondContact O-N 3.44Å; L1135-G1140 PolarHBondContact O-N 2.79Å
1136Q82.9Confident84.3Confident131 Ų13151.4 Ų51.461%0.61226%0.258SS*.Iπ-helixtrans-66.7-42.1178.5-168.5177.714.400112.5Q1132 S1134 G1140Q1132-Q1136 WeakPolarHBondContact O-CB 3.37Å; Q1132-Q1136 PolarHBondContact O-N 3.36Å; S1134-Q1136 PolarHBondContact O-N 2.71Å; Q1136-G1140 WeakPolarHBondContact O-CA 3.22Å; Q1136-G1140 PolarHBondContact O-N 3.03Å
1137K81.6Confident84.3Confident108 Ų10851.8 Ų51.847%0.4726%0.26SS..Iπ-helixtrans-70.2-39.8-178.5-177.6-177.5173.4-164.10113.3T1133 S1134 L1141T1133-K1137 WeakPolarHBondContact O-CB 3.33Å; T1133-K1137 PolarHBondContact O-N 3.17Å; S1134-K1137 PolarHBondContact O-N 2.81Å; K1137-L1141 WeakPolarHBondContact O-CD1 3.49Å; K1137-L1141 WeakPolarHBondContact O-CG 3.12Å
1138H83.5Confident84.5Confident52 Ų5252.9 Ų52.924%0.24126%0.263CS..Iπ-helixtrans-105.3-50.7-172.9-66.5-77.6000112.3T1093 L1094 S1134T1093-H1138 HydrophobicContact CG2-CB 4.41Å; T1093-H1138 WeakPolarHBondContact O-CB 3.46Å; T1093-H1138 PolarHBondContact O-CD2 3.11Å; T1093-H1138 PolarHBondContact O-ND1 3.3Å; L1094-H1138 HydrophobicContact CD2-CB 4.33Å; S1134-H1138 WeakPolarHBondContact O-CB 3.35Å; S1134-H1138 PolarHBondContact O-N 2.53Å
1139A84.8Confident84.6Confident0 Ų052.1 Ų52.10%025%0.254CS..Iπ-helixtrans-80.6-33.4-178.800000112.7L953 Y957 L1094 L1135 A1142 F1143L953-A1139 HydrophobicContact CD1-CB 3.42Å; L953-A1139 VanDerWaalsContact CD1-CB 3.42Å; L953-A1139 HydrophobicContact CG-CB 3.86Å; Y957-A1139 HydrophobicContact CD2-CB 4.12Å; Y957-A1139 HydrophobicContact CG-CB 4.29Å; L1094-A1139 HydrophobicContact CD2-CB 4.25Å; L1135-A1139 HydrophobicContact CD2-CB 4.26Å; L1135-A1139 CarbonylContact O-C 3.53Å; L1135-A1139 VanDerWaalsContact O-CA 3.3Å; L1135-A1139 WeakPolarHBondContact O-CA 3.46Å; L1135-A1139 VanDerWaalsContact O-CB 3.25Å; L1135-A1139 WeakPolarHBondContact O-CB 3.45Å; L1135-A1139 PolarHBondContact O-N 3.44Å; A1139-A1142 PolarHBondContact O-N 3.5Å; A1139-F1143 PolarHBondContact O-N 3.48Å
1140G83.3Confident84.9Confident1 Ų144.6 Ų44.61%0.0122%0.22CC..Hα-helixtrans-66.7-34.5174.300000112.9L1135 Q1136 F1143 I1144L1135-G1140 PolarHBondContact O-N 2.79Å; Q1136-G1140 WeakPolarHBondContact O-CA 3.22Å; Q1136-G1140 PolarHBondContact O-N 3.03Å; G1140-F1143 PolarHBondContact O-N 3.49Å; G1140-I1144 WeakPolarHBondContact O-CB 3.41Å; G1140-I1144 WeakPolarHBondContact O-CG1 3.19Å; G1140-I1144 PolarHBondContact O-N 3.13Å
1141L84.4Confident85.1Confident112 Ų11246.5 Ų46.559%0.58622%0.223SC*.Hα-helixtrans-63.2-48.8172-79.4-177.4000111.9K1137 F1143 I1144 E1145K1137-L1141 WeakPolarHBondContact O-CD1 3.49Å; K1137-L1141 WeakPolarHBondContact O-CG 3.12Å; L1141-F1143 VanDerWaalsContact C-N 3.26Å; L1141-F1143 PolarHBondContact O-N 3.07Å; L1141-I1144 PolarHBondContact O-N 2.91Å; L1141-I1144 VanDerWaalsContact O-N 3.12Å; L1141-E1145 WeakPolarHBondContact O-CB 3.49Å; L1141-E1145 PolarHBondContact O-N 2.95Å
1142A84.9Confident85.1Confident7 Ų752.2 Ų52.26%0.05825%0.253CS..Hα-helixtrans-59.3-38.917600000111.8F950 L953 A1139 E1145 L1146F950-A1142 HydrophobicContact CD2-CB 4.09Å; F950-A1142 HydrophobicContact CE2-CB 3.74Å; F950-A1142 HydrophobicContact CZ-CB 4.35Å; F950-A1142 VanDerWaalsContact CZ-O 3.29Å; F950-A1142 WeakPolarHBondContact CZ-O 3.39Å; L953-A1142 HydrophobicContact CD2-CB 3.75Å; L953-A1142 HydrophobicContact CG-CB 4.18Å; A1139-A1142 PolarHBondContact O-N 3.5Å; A1142-E1145 PolarHBondContact O-N 2.95Å; A1142-L1146 WeakPolarHBondContact O-CB 3.36Å; A1142-L1146 PolarHBondContact O-N 2.98Å
1143F88.6Confident85.1Confident2 Ų250.4 Ų50.41%0.00925%0.246CC..Hα-helixtrans-67.5-39.3174.3-169.9-82.8000113.1L843 L847 V917 A954 Y957 F958 A1139 G1140 L1141 L1146 V1147L843-F1143 HydrophobicContact CD1-CZ 4.48Å; L847-F1143 HydrophobicContact CD1-CD1 4.14Å; L847-F1143 HydrophobicContact CD1-CE1 3.15Å; L847-F1143 HydrophobicContact CD1-CZ 3.42Å; L847-F1143 VanDerWaalsContact CD1-CZ 3.42Å; V917-F1143 HydrophobicContact CG1-CE2 4.4Å; V917-F1143 HydrophobicContact CG1-CZ 4.08Å; V917-F1143 HydrophobicContact CG2-CE2 4.23Å; A954-F1143 HydrophobicContact CB-CD2 4.24Å; A954-F1143 WeakPolarHBondContact O-CD2 3.27Å; Y957-F1143 HydrophobicContact CD1-CB 3.48Å; Y957-F1143 VanDerWaalsContact CD1-CB 3.48Å; Y957-F1143 HydrophobicContact CD1-CD1 4.12Å; Y957-F1143 HydrophobicContact CD1-CD2 4.06Å; Y957-F1143 AromaticContact CD1-CG 3.59Å; Y957-F1143 HydrophobicContact CD1-CG 3.59Å; Y957-F1143 HydrophobicContact CE1-CB 4.07Å; Y957-F1143 HydrophobicContact CE1-CD1 4.18Å; Y957-F1143 HydrophobicContact CE1-CG 4.11Å; Y957-F1143 HydrophobicContact CG-CB 4.2Å; F958-F1143 HydrophobicContact CB-CD2 4.33Å; F958-F1143 HydrophobicContact CB-CE2 3.97Å; F958-F1143 HydrophobicContact CG-CE2 4.5Å; A1139-F1143 PolarHBondContact O-N 3.48Å; G1140-F1143 PolarHBondContact O-N 3.49Å; L1141-F1143 VanDerWaalsContact C-N 3.26Å; L1141-F1143 PolarHBondContact O-N 3.07Å; F1143-L1146 HydrophobicContact CD2-CD2 4.4Å; F1143-L1146 HydrophobicContact CE2-CD2 4.36Å; F1143-L1146 WeakPolarHBondContact O-CB 3.32Å; F1143-L1146 PolarHBondContact O-N 2.8Å; F1143-V1147 HydrophobicContact CD1-CG2 3.95Å; F1143-V1147 HydrophobicContact CE1-CG2 3.43Å; F1143-V1147 VanDerWaalsContact CE1-CG2 3.43Å; F1143-V1147 HydrophobicContact CZ-CG2 4.09Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.41Å; F1143-V1147 PolarHBondContact O-N 3.36Å
1144I83.7Confident85.1Confident69 Ų6947.9 Ų47.935%0.35423%0.23SC..Hα-helixtrans-67.3-39.3175.9-71.3166.5000111G1140 L1141 V1147 N1148G1140-I1144 WeakPolarHBondContact O-CB 3.41Å; G1140-I1144 WeakPolarHBondContact O-CG1 3.19Å; G1140-I1144 PolarHBondContact O-N 3.13Å; L1141-I1144 PolarHBondContact O-N 2.91Å; L1141-I1144 VanDerWaalsContact O-N 3.12Å; I1144-V1147 PolarHBondContact O-N 3.45Å; I1144-N1148 WeakPolarHBondContact O-CB 3.42Å; I1144-N1148 VanDerWaalsContact O-CG 3.3Å; I1144-N1148 PolarHBondContact O-N 3Å; I1144-N1148 PolarHBondContact O-ND2 2.97Å
1145E87.6Confident85Confident124 Ų12452 Ų5258%0.57925%0.249SC*.Hα-helixtrans-59.5-48.4172.3-175.4174.9-173.900110.9F950 L1141 A1142 V1147 N1148 E1149F950-E1145 HydrophobicContact CZ-CB 4.44Å; F950-E1145 HydrophobicContact CZ-CG 4.45Å; L1141-E1145 WeakPolarHBondContact O-CB 3.49Å; L1141-E1145 PolarHBondContact O-N 2.95Å; A1142-E1145 PolarHBondContact O-N 2.95Å; E1145-V1147 VanDerWaalsContact C-N 3.32Å; E1145-V1147 PolarHBondContact O-N 3.34Å; E1145-N1148 PolarHBondContact O-N 3.06Å; E1145-N1148 VanDerWaalsContact O-N 3.17Å; E1145-E1149 PolarHBondContact O-N 2.65Å
1146L89Confident84.6Confident1 Ų154.3 Ų54.31%0.00527%0.27CS..Hα-helixtrans-53.3-46.2172.8-176.281.3000111.6R910 L913 R914 F950 A954 A1142 F1143 G1150R910-L1146 HydrophobicContact CB-CD1 3.5Å; R910-L1146 HydrophobicContact CG-CD1 3.69Å; L913-L1146 HydrophobicContact CD2-CD2 3.81Å; L913-L1146 HydrophobicContact CG-CD2 4Å; R914-L1146 VanDerWaalsContact CD-O 3.29Å; R914-L1146 WeakPolarHBondContact CD-O 3.47Å; R914-L1146 HydrophobicContact CG-CD1 4.39Å; R914-L1146 HydrophobicContact CG-CD2 4.09Å; R914-L1146 HydrophobicContact CG-CG 3.85Å; R914-L1146 PolarHBondContact NH1-O 2.88Å; F950-L1146 HydrophobicContact CE1-CB 4.28Å; F950-L1146 HydrophobicContact CE1-CD1 3.96Å; F950-L1146 HydrophobicContact CZ-CB 4.29Å; A954-L1146 HydrophobicContact CB-CD2 4.23Å; A1142-L1146 WeakPolarHBondContact O-CB 3.36Å; A1142-L1146 PolarHBondContact O-N 2.98Å; F1143-L1146 HydrophobicContact CD2-CD2 4.4Å; F1143-L1146 HydrophobicContact CE2-CD2 4.36Å; F1143-L1146 WeakPolarHBondContact O-CB 3.32Å; F1143-L1146 PolarHBondContact O-N 2.8Å; L1146-G1150 PolarHBondContact O-N 2.97Å
1147V85.7Confident84.4Confident8 Ų849 Ų495%0.04825%0.246CC..Hα-helixtrans-67-41.2178.5173.20000112.1L843 L844 F1143 I1144 E1145 G1150 R1151L843-V1147 HydrophobicContact CB-CG1 4.39Å; L843-V1147 HydrophobicContact CB-CG2 3.86Å; L843-V1147 HydrophobicContact CD1-CG2 4.01Å; L844-V1147 HydrophobicContact CB-CG1 4.45Å; F1143-V1147 HydrophobicContact CD1-CG2 3.95Å; F1143-V1147 HydrophobicContact CE1-CG2 3.43Å; F1143-V1147 VanDerWaalsContact CE1-CG2 3.43Å; F1143-V1147 HydrophobicContact CZ-CG2 4.09Å; F1143-V1147 WeakPolarHBondContact O-CG2 3.41Å; F1143-V1147 PolarHBondContact O-N 3.36Å; I1144-V1147 PolarHBondContact O-N 3.45Å; E1145-V1147 VanDerWaalsContact C-N 3.32Å; E1145-V1147 PolarHBondContact O-N 3.34Å; V1147-G1150 PolarHBondContact O-N 3.09Å; V1147-R1151 PolarHBondContact O-N 3.41Å; V1147-R1151 VanDerWaalsContact O-N 3.16Å
1148N86.5Confident84.4Confident65 Ų6544.4 Ų44.435%0.34823%0.226SC..Hα-helixtrans-69.4-37.7-178.7-75.2-26.8000112.3I1144 E1145 G1150 R1151 L1152I1144-N1148 WeakPolarHBondContact O-CB 3.42Å; I1144-N1148 VanDerWaalsContact O-CG 3.3Å; I1144-N1148 PolarHBondContact O-N 3Å; I1144-N1148 PolarHBondContact O-ND2 2.97Å; E1145-N1148 PolarHBondContact O-N 3.06Å; E1145-N1148 VanDerWaalsContact O-N 3.17Å; N1148-G1150 VanDerWaalsContact C-N 3.33Å; N1148-G1150 PolarHBondContact O-N 3.16Å; N1148-R1151 PolarHBondContact O-N 3.35Å; N1148-L1152 WeakPolarHBondContact O-CG 3.29Å; N1148-L1152 PolarHBondContact O-N 3.44Å
1149E87.3Confident84.2Confident32 Ų3245.8 Ų45.815%0.1524%0.235CC..Hα-helixtrans-54.7-49.2171.4-173.9-165.5-145.700110.7R910 R914 E1145 R1151 L1152 L1153R910-E1149 WeakPolarHBondContact CB-OE2 3.19Å; R910-E1149 IonicContact CZ-OE1 2.64Å; R910-E1149 VanDerWaalsContact CZ-OE1 3.27Å; R910-E1149 VanDerWaalsContact NE-CD 3.31Å; R910-E1149 IonicContact NE-OE1 3.74Å; R910-E1149 PolarHBondContact NE-OE1 3.44Å; R910-E1149 IonicContact NE-OE2 3.82Å; R910-E1149 PolarHBondContact NE-OE2 2.85Å; R910-E1149 VanDerWaalsContact NE-OE2 3.11Å; R910-E1149 IonicContact NH2-OE1 3Å; R910-E1149 PolarHBondContact NH2-OE1 2.88Å; R914-E1149 IonicContact CZ-OE2 2.93Å; R914-E1149 IonicContact NH1-OE2 3.73Å; R914-E1149 PolarHBondContact NH1-OE2 3.13Å; R914-E1149 IonicContact NH2-OE2 2.67Å; R914-E1149 PolarHBondContact NH2-OE2 3.08Å; E1145-E1149 PolarHBondContact O-N 2.65Å; E1149-R1151 VanDerWaalsContact C-N 3.34Å; E1149-R1151 PolarHBondContact O-N 2.94Å; E1149-L1152 PolarHBondContact O-N 3.26Å; E1149-L1153 HydrophobicContact CG-CD1 3.94Å; E1149-L1153 VanDerWaalsContact O-CG 3.32Å; E1149-L1153 WeakPolarHBondContact O-CG 3.46Å; E1149-L1153 PolarHBondContact O-N 2.89Å
1150G85Confident83.9Confident2 Ų249 Ų492%0.02125%0.25CC..Hα-helixtrans-60.9-39.1177.800000113.6D834 R914 L1146 V1147 N1148 A1154D834-G1150 WeakPolarHBondContact CB-O 3.33Å; D834-G1150 VanDerWaalsContact CG-CA 3.5Å; D834-G1150 VanDerWaalsContact OD1-CA 3.3Å; D834-G1150 WeakPolarHBondContact OD1-CA 3.39Å; R914-G1150 VanDerWaalsContact NE-CA 3.34Å; L1146-G1150 PolarHBondContact O-N 2.97Å; V1147-G1150 PolarHBondContact O-N 3.09Å; N1148-G1150 VanDerWaalsContact C-N 3.33Å; N1148-G1150 PolarHBondContact O-N 3.16Å; G1150-A1154 WeakPolarHBondContact O-CB 3.38Å; G1150-A1154 PolarHBondContact O-N 3.14Å
1151R85.4Confident83.7Confident127 Ų12749.6 Ų49.648%0.47925%0.252SS..Hα-helixtrans-62-47.5173.6-69175.665.4178.91.9111.4V838 V1147 N1148 E1149 A1154 H1155V838-R1151 HydrophobicContact CG2-CG 4.41Å; V1147-R1151 PolarHBondContact O-N 3.41Å; V1147-R1151 VanDerWaalsContact O-N 3.16Å; N1148-R1151 PolarHBondContact O-N 3.35Å; E1149-R1151 VanDerWaalsContact C-N 3.34Å; E1149-R1151 PolarHBondContact O-N 2.94Å; R1151-A1154 PolarHBondContact O-N 3.27Å; R1151-H1155 PolarHBondContact O-CD2 2.96Å; R1151-H1155 PolarHBondContact O-N 3.45Å
1152L84.8Confident83.4Confident124 Ų12445 Ų4565%0.64923%0.229SC*.Hα-helixtrans-62.3-42.9-179.9-70.9168.8000111.7N1148 E1149 H1155 A1156N1148-L1152 WeakPolarHBondContact O-CG 3.29Å; N1148-L1152 PolarHBondContact O-N 3.44Å; E1149-L1152 PolarHBondContact O-N 3.26Å; L1152-H1155 PolarHBondContact O-N 2.78Å; L1152-A1156 WeakPolarHBondContact O-CB 3.42Å; L1152-A1156 PolarHBondContact O-N 3.17Å
1153L83Confident83Confident30 Ų3051.8 Ų51.816%0.15725%0.253CS..Hα-helixtrans-63.2-41.2177.1-70.6168.1000112.7M903 Q911 E1149 T1157M903-L1153 HydrophobicContact CE-CD1 3.9Å; M903-L1153 HydrophobicContact CE-CD2 3.68Å; M903-L1153 HydrophobicContact CE-CG 4.34Å; M903-L1153 HydrophobicContact CG-CD2 4.01Å; Q911-L1153 HydrophobicContact CG-CD1 4.37Å; E1149-L1153 HydrophobicContact CG-CD1 3.94Å; E1149-L1153 VanDerWaalsContact O-CG 3.32Å; E1149-L1153 WeakPolarHBondContact O-CG 3.46Å; E1149-L1153 PolarHBondContact O-N 2.89Å; L1153-T1157 WeakPolarHBondContact O-CB 3.42Å; L1153-T1157 PolarHBondContact O-N 3.09Å; L1153-T1157 PolarHBondContact O-OG1 3.34Å
1154A82.5Confident82.3Confident1 Ų153.1 Ų53.11%0.00826%0.262CS..Hα-helixtrans-61.6-47172.900000111.5D834 N835 V838 G1150 R1151 T1157 R1158D834-A1154 HydrophobicContact CB-CB 4.24Å; N835-A1154 PolarHBondContact OD1-O 3.01Å; V838-A1154 HydrophobicContact CG2-CB 3.97Å; G1150-A1154 WeakPolarHBondContact O-CB 3.38Å; G1150-A1154 PolarHBondContact O-N 3.14Å; R1151-A1154 PolarHBondContact O-N 3.27Å; A1154-T1157 PolarHBondContact O-N 3.34Å; A1154-R1158 WeakPolarHBondContact O-CD 3.09Å; A1154-R1158 VanDerWaalsContact O-CG 3.23Å; A1154-R1158 WeakPolarHBondContact O-CG 3.3Å; A1154-R1158 PolarHBondContact O-N 2.86Å
1155H82.6Confident81.7Confident88 Ų8849.9 Ų49.941%0.40725%0.245SC..Hα-helixtrans-60.9-48.8176.6-83.6-77.8000112.5R1151 L1152 T1157 R1158 D1159R1151-H1155 PolarHBondContact O-CD2 2.96Å; R1151-H1155 PolarHBondContact O-N 3.45Å; L1152-H1155 PolarHBondContact O-N 2.78Å; H1155-T1157 VanDerWaalsContact C-N 3.31Å; H1155-T1157 PolarHBondContact O-N 3.46Å; H1155-R1158 WeakPolarHBondContact O-CB 3.28Å; H1155-R1158 PolarHBondContact O-N 3.35Å; H1155-D1159 PolarHBondContact O-N 3.5Å
1156A80.1Confident80.8Confident57 Ų5746 Ų4647%0.47123%0.228SC..Hα-helixtrans-60.1-40179.300000112.5L1152 D1159 H1160L1152-A1156 WeakPolarHBondContact O-CB 3.42Å; L1152-A1156 PolarHBondContact O-N 3.17Å; A1156-D1159 PolarHBondContact O-N 3.22Å; A1156-H1160 WeakPolarHBondContact O-CB 3.4Å; A1156-H1160 PolarHBondContact O-N 3.18Å
1157T78Confident79.7Confident18 Ų1852.9 Ų52.911%0.1126%0.26CS..Hα-helixtrans-60.6-49.1174.6-63.20000111.7Q831 N835 L1153 A1154 H1155 D1159 H1160 L1161Q831-T1157 HydrophobicContact CG-CG2 4.06Å; Q831-T1157 VanDerWaalsContact NE2-CG2 3.32Å; Q831-T1157 PolarHBondContact NE2-OG1 3.27Å; N835-T1157 WeakPolarHBondContact ND2-CG2 3.48Å; L1153-T1157 WeakPolarHBondContact O-CB 3.42Å; L1153-T1157 PolarHBondContact O-N 3.09Å; L1153-T1157 PolarHBondContact O-OG1 3.34Å; A1154-T1157 PolarHBondContact O-N 3.34Å; H1155-T1157 VanDerWaalsContact C-N 3.31Å; H1155-T1157 PolarHBondContact O-N 3.46Å; T1157-D1159 PolarHBondContact O-N 3.44Å; T1157-H1160 PolarHBondContact O-N 3.29Å; T1157-L1161 HydrophobicContact CG2-CD1 4.35Å; T1157-L1161 WeakPolarHBondContact O-CG 3.39Å; T1157-L1161 PolarHBondContact O-N 3.23Å
1158R80.8Confident78.5Confident12 Ų1253.3 Ų53.35%0.04526%0.264CS..Hα-helixtrans-60.5-44.1178-71.3162.539.7954.7111.9E776 F777 A1154 H1155 H1160 L1161 V1162E776-R1158 IonicContact OE2-NH2 3.33Å; E776-R1158 PolarHBondContact OE2-NH2 3.2Å; F777-R1158 HydrophobicContact CB-CB 3.79Å; F777-R1158 HydrophobicContact CB-CG 3.81Å; F777-R1158 HydrophobicContact CD1-CG 3.92Å; F777-R1158 HydrophobicContact CG-CB 4.44Å; F777-R1158 HydrophobicContact CG-CG 4.09Å; F777-R1158 PolarHBondContact O-NH1 2.73Å; A1154-R1158 WeakPolarHBondContact O-CD 3.09Å; A1154-R1158 VanDerWaalsContact O-CG 3.23Å; A1154-R1158 WeakPolarHBondContact O-CG 3.3Å; A1154-R1158 PolarHBondContact O-N 2.86Å; H1155-R1158 WeakPolarHBondContact O-CB 3.28Å; H1155-R1158 PolarHBondContact O-N 3.35Å; R1158-H1160 VanDerWaalsContact C-N 3.34Å; R1158-H1160 PolarHBondContact O-N 3.4Å; R1158-L1161 PolarHBondContact O-N 2.94Å; R1158-V1162 WeakPolarHBondContact O-CG2 3.35Å; R1158-V1162 PolarHBondContact O-N 2.74Å
1159D79.9Confident77.3Confident81 Ų8151.6 Ų51.643%0.43325%0.254SS..Hα-helixtrans-67.4-35.4-179.6-72.8-6.5000112.1H1155 A1156 T1157 V1162 R1163H1155-D1159 PolarHBondContact O-N 3.5Å; A1156-D1159 PolarHBondContact O-N 3.22Å; T1157-D1159 PolarHBondContact O-N 3.44Å; D1159-V1162 PolarHBondContact O-N 3.32Å; D1159-R1163 WeakPolarHBondContact O-CG 3.43Å; D1159-R1163 PolarHBondContact O-N 3.03Å; D1159-R1163 PolarHBondContact O-NH1 3.21Å
1160H79.5Confident76Confident68 Ų6857.7 Ų57.732%0.31528%0.277SS..Hα-helixtrans-63.8-48.7172.5175.250.1000111.6A1156 T1157 R1158 V1162 R1163 V1164A1156-H1160 WeakPolarHBondContact O-CB 3.4Å; A1156-H1160 PolarHBondContact O-N 3.18Å; T1157-H1160 PolarHBondContact O-N 3.29Å; R1158-H1160 VanDerWaalsContact C-N 3.34Å; R1158-H1160 PolarHBondContact O-N 3.4Å; H1160-V1162 VanDerWaalsContact C-N 3.29Å; H1160-V1162 PolarHBondContact O-N 3.4Å; H1160-R1163 PolarHBondContact O-N 3.49Å; H1160-R1163 VanDerWaalsContact O-N 3.11Å; H1160-V1164 PolarHBondContact O-N 2.92Å
1161L78.3Confident74.2Confident13 Ų1362 Ų627%0.06830%0.299CS..Hα-helixtrans-56.1-43.6174.8-70.3170.6000111.6I743 M746 A747 F777 T1157 R1158 A1165I743-L1161 HydrophobicContact CG2-CD2 3.78Å; I743-L1161 WeakPolarHBondContact O-CD2 3.2Å; M746-L1161 HydrophobicContact CB-CD2 3.98Å; A747-L1161 HydrophobicContact CB-CD2 3.94Å; A747-L1161 WeakPolarHBondContact CB-O 3.34Å; F777-L1161 HydrophobicContact CD2-CB 4.36Å; F777-L1161 HydrophobicContact CD2-CD1 3.95Å; F777-L1161 HydrophobicContact CE2-CD1 3.76Å; F777-L1161 HydrophobicContact CZ-CD1 4.25Å; T1157-L1161 HydrophobicContact CG2-CD1 4.35Å; T1157-L1161 WeakPolarHBondContact O-CG 3.39Å; T1157-L1161 PolarHBondContact O-N 3.23Å; R1158-L1161 PolarHBondContact O-N 2.94Å; L1161-A1165 WeakPolarHBondContact O-CB 3.05Å; L1161-A1165 PolarHBondContact O-N 3.45Å
1162V77.8Confident72.5Confident16 Ų1656.8 Ų56.810%0.09728%0.28CS..Hα-helixtrans-65-39.6176.8172.30000111.7H750 I774 F777 R1158 D1159 H1160 A1165 N1166H750-V1162 WeakPolarHBondContact NE2-CG2 3.4Å; I774-V1162 HydrophobicContact CB-CG1 4.45Å; F777-V1162 HydrophobicContact CB-CG2 4.31Å; R1158-V1162 WeakPolarHBondContact O-CG2 3.35Å; R1158-V1162 PolarHBondContact O-N 2.74Å; D1159-V1162 PolarHBondContact O-N 3.32Å; H1160-V1162 VanDerWaalsContact C-N 3.29Å; H1160-V1162 PolarHBondContact O-N 3.4Å; V1162-A1165 PolarHBondContact O-N 3.43Å; V1162-N1166 PolarHBondContact O-N 3.03Å; V1162-N1166 VanDerWaalsContact O-N 3.13Å; V1162-N1166 PolarHBondContact O-ND2 3.47Å
1163R77.3Confident70.8Confident149 Ų14954 Ų5456%0.56227%0.266SS*.Hα-helixtrans-62.2-52176.5-75.4-170.4-58.9-83.66.1112.1D1159 H1160 A1165 N1166 E1167D1159-R1163 WeakPolarHBondContact O-CG 3.43Å; D1159-R1163 PolarHBondContact O-N 3.03Å; D1159-R1163 PolarHBondContact O-NH1 3.21Å; H1160-R1163 PolarHBondContact O-N 3.49Å; H1160-R1163 VanDerWaalsContact O-N 3.11Å; R1163-A1165 VanDerWaalsContact C-N 3.27Å; R1163-A1165 PolarHBondContact O-N 3.22Å; R1163-N1166 PolarHBondContact O-N 3.3Å; R1163-N1166 VanDerWaalsContact O-N 3.09Å; R1163-E1167 PolarHBondContact O-N 3.09Å
1164V74.4Confident69.2Low31 Ų3163 Ų6319%0.18830%0.298CS..Hα-helixtrans-61.1-38.3178.9176.40000111.1A747 H1160 N1166 E1167 A1168A747-V1164 HydrophobicContact CB-CB 3.65Å; A747-V1164 HydrophobicContact CB-CG1 3.57Å; H1160-V1164 PolarHBondContact O-N 2.92Å; V1164-N1166 VanDerWaalsContact C-N 3.34Å; V1164-N1166 PolarHBondContact O-N 2.8Å; V1164-E1167 PolarHBondContact O-N 2.94Å; V1164-A1168 PolarHBondContact O-N 3.42Å
1165A69.8Low67.5Low0 Ų067.8 Ų67.80%032%0.322CS..Hα-helixtrans-58.9-41.3174.600000112.8A747 H750 S751 I774 L1161 V1162 R1163 E1167 A1168 E1169A747-A1165 WeakPolarHBondContact O-CB 3.43Å; H750-A1165 WeakPolarHBondContact CE1-CB 3.45Å; S751-A1165 WeakPolarHBondContact CB-O 3.26Å; I774-A1165 HydrophobicContact CD1-CB 3.52Å; I774-A1165 WeakPolarHBondContact CD1-O 3.44Å; I774-A1165 HydrophobicContact CG2-CB 4.43Å; L1161-A1165 WeakPolarHBondContact O-CB 3.05Å; L1161-A1165 PolarHBondContact O-N 3.45Å; V1162-A1165 PolarHBondContact O-N 3.43Å; R1163-A1165 VanDerWaalsContact C-N 3.27Å; R1163-A1165 PolarHBondContact O-N 3.22Å; A1165-E1167 VanDerWaalsContact C-N 3.34Å; A1165-E1167 PolarHBondContact O-N 3.45Å; A1165-A1168 PolarHBondContact O-N 3.03Å; A1165-E1169 PolarHBondContact O-N 3.16Å
1166N68.6Low65.6Low43 Ų4368.1 Ų68.123%0.2332%0.32CS..Hα-helixtrans-67.4-37.2-176.8-82.3-77.7000111.7R773 I774 V1162 R1163 V1164R773-N1166 WeakPolarHBondContact CA-OD1 3.34Å; I774-N1166 HydrophobicContact CD1-CB 4.33Å; I774-N1166 WeakPolarHBondContact CG1-OD1 3.45Å; I774-N1166 PolarHBondContact N-OD1 2.85Å; V1162-N1166 PolarHBondContact O-N 3.03Å; V1162-N1166 VanDerWaalsContact O-N 3.13Å; V1162-N1166 PolarHBondContact O-ND2 3.47Å; R1163-N1166 PolarHBondContact O-N 3.3Å; R1163-N1166 VanDerWaalsContact O-N 3.09Å; V1164-N1166 VanDerWaalsContact C-N 3.34Å; V1164-N1166 PolarHBondContact O-N 2.8Å
1167E67.4Low63.7Low146 Ų14670 Ų7068%0.68234%0.336SS*.Hα-helixtrans-66.6-42.2178.7-169.9169.2-178.400111.6R1163 V1164 A1165R1163-E1167 PolarHBondContact O-N 3.09Å; V1164-E1167 PolarHBondContact O-N 2.94Å; A1165-E1167 VanDerWaalsContact C-N 3.34Å; A1165-E1167 PolarHBondContact O-N 3.45Å
1168A60.5Low61.8Low16 Ų1676.1 Ų76.113%0.13236%0.363CS..Hα-helixtrans-63.9-44175.700000112.9I748 V1164 A1165 Y1170 I1171 L1172I748-A1168 HydrophobicContact CG1-CB 4.17Å; V1164-A1168 PolarHBondContact O-N 3.42Å; A1165-A1168 PolarHBondContact O-N 3.03Å; A1168-Y1170 VanDerWaalsContact C-N 3.31Å; A1168-Y1170 PolarHBondContact O-N 3.17Å; A1168-I1171 PolarHBondContact O-N 3.4Å; A1168-L1172 WeakPolarHBondContact O-CD1 3.25Å
1169E60.1Low59.8Low29 Ų2977.3 Ų77.314%0.13637%0.37CS..Hα-helixtrans-60-39.8-174.2-163.9167.8149.200113.2S751 F755 I774 A1165 I1171 L1172 N1173S751-E1169 WeakPolarHBondContact OG-CB 3.28Å; S751-E1169 PolarHBondContact OG-OE2 3.03Å; S751-E1169 VanDerWaalsContact OG-OE2 3.09Å; F755-E1169 WeakPolarHBondContact CD2-OE1 3.33Å; I774-E1169 HydrophobicContact CD1-CB 4.31Å; I774-E1169 VanDerWaalsContact CD1-OE2 3.25Å; I774-E1169 WeakPolarHBondContact CD1-OE2 3.44Å; I774-E1169 VanDerWaalsContact CG1-OE2 3.26Å; I774-E1169 WeakPolarHBondContact CG1-OE2 3.35Å; A1165-E1169 PolarHBondContact O-N 3.16Å; E1169-I1171 VanDerWaalsContact C-N 3.3Å; E1169-I1171 PolarHBondContact O-N 3.32Å; E1169-L1172 PolarHBondContact O-N 3.46Å; E1169-L1172 VanDerWaalsContact O-N 3.16Å; E1169-N1173 PolarHBondContact O-N 3.12Å
1170Y59.4Low57.8Low160 Ų16078.9 Ų78.963%0.62738%0.383SS*.Hα-helixtrans-57-40.9179.7178.4-106.2000112.9L771 A1168 L1172L771-Y1170 HydrophobicContact CD1-CD2 3.85Å; L771-Y1170 HydrophobicContact CD2-CD2 3.63Å; L771-Y1170 HydrophobicContact CD2-CE2 4.44Å; L771-Y1170 HydrophobicContact CD2-CG 4.34Å; L771-Y1170 HydrophobicContact CG-CD2 4.42Å; A1168-Y1170 VanDerWaalsContact C-N 3.31Å; A1168-Y1170 PolarHBondContact O-N 3.17Å; Y1170-L1172 VanDerWaalsContact C-N 3.29Å; Y1170-L1172 PolarHBondContact O-N 3.24Å
1171I48.4Very low56Low92 Ų9281.8 Ų81.847%0.47241%0.405SS..Hα-helixtrans-68.7-33.2-178-60.5173.1000110.8A1168 E1169A1168-I1171 PolarHBondContact O-N 3.4Å; E1169-I1171 VanDerWaalsContact C-N 3.3Å; E1169-I1171 PolarHBondContact O-N 3.32Å
1172L49.3Very low54Low18 Ų1887.4 Ų87.49%0.09443%0.429CS..Hα-helixtrans-99.9-28.7-156.9-80.3159.2000115.4D698 A1168 E1169 Y1170 R1174 I1175D698-L1172 HydrophobicContact CB-CD1 3.91Å; D698-L1172 HydrophobicContact CB-CD2 4.26Å; D698-L1172 VanDerWaalsContact CG-CD1 3.48Å; D698-L1172 VanDerWaalsContact OD1-CD1 3.28Å; D698-L1172 WeakPolarHBondContact OD1-CD1 3.34Å; D698-L1172 WeakPolarHBondContact OD2-CD2 3.26Å; A1168-L1172 WeakPolarHBondContact O-CD1 3.25Å; E1169-L1172 PolarHBondContact O-N 3.46Å; E1169-L1172 VanDerWaalsContact O-N 3.16Å; Y1170-L1172 VanDerWaalsContact C-N 3.29Å; Y1170-L1172 PolarHBondContact O-N 3.24Å; L1172-R1174 PolarHBondContact O-N 3.14Å; L1172-I1175 PolarHBondContact O-N 2.83Å
1173N49.7Very low52Low65 Ų6586.8 Ų86.835%0.34843%0.425SS..THydrogen-bonded Turntrans-67.8-15.9175.6-75.1-23.7000113F755 E1169 I1175F755-N1173 WeakPolarHBondContact CE2-ND2 3.36Å; F755-N1173 WeakPolarHBondContact CE2-OD1 3.29Å; E1169-N1173 PolarHBondContact O-N 3.12Å; N1173-I1175 VanDerWaalsContact C-N 3.34Å; N1173-I1175 PolarHBondContact O-N 3.37Å
1174R48.2Very low50Low220 Ų22084 Ų8483%0.8343%0.434SS*.THydrogen-bonded Turntrans-74.1-16.6178.6-170.1161.863.7124.8-2.7114.8L1172L1172-R1174 PolarHBondContact O-N 3.14Å
1175I47.1Very low48.1Very low102 Ų10289.9 Ų89.952%0.52346%0.459SS..THydrogen-bonded Turntrans-109.4-29.7-169.9-59.8175.2000112.9L1172 N1173 A1177L1172-I1175 PolarHBondContact O-N 2.83Å; N1173-I1175 VanDerWaalsContact C-N 3.34Å; N1173-I1175 PolarHBondContact O-N 3.37Å; I1175-A1177 PolarHBondContact O-N 3.05Å
1176R42.5Very low46.4Very low94 Ų9490.3 Ų90.336%0.35546%0.461SS..THydrogen-bonded Turntrans-73-13.9-167.7-82.2179.9167.1-177.2-8.1117.1E1178R1176-E1178 VanDerWaalsContact C-N 3.34Å; R1176-E1178 PolarHBondContact O-N 3.06Å
1177A41.3Very low44.6Very low97 Ų9790.3 Ų90.380%0.80246%0.46SS*.THydrogen-bonded Turntrans-76.1-15-167.400000115.1I1175I1175-A1177 PolarHBondContact O-N 3.05Å
1178E37Very low43.2Very low147 Ų14787.2 Ų87.269%0.68746%0.459SS*.SBendtrans-107.1-12.9-168.1-62.4-169.2154.900115.9R1176R1176-E1178 VanDerWaalsContact C-N 3.34Å; R1176-E1178 PolarHBondContact O-N 3.06Å
1179D40.5Very low42.2Very low36 Ų3691.5 Ų91.519%0.19348%0.479CS..SBendtrans-91.7-19.7-166.3-73.8-33.2000115R659 V1181R659-D1179 WeakPolarHBondContact CD-OD1 3.16Å; R659-D1179 IonicContact NE-OD1 2.82Å; R659-D1179 PolarHBondContact NE-OD1 2.7Å; D1179-V1181 PolarHBondContact O-N 3.04Å
1180V36.7Very low41Very low115 Ų11590.3 Ų90.370%0.69747%0.474SS*.SBendtrans-69.3-37.9-166.2177.60000114.2
1181V41Very low40Very low129 Ų12986.6 Ų86.678%0.78248%0.476SS*.G310 helixtrans-80.6-30.4-171.8178.50000112.4D1179 H1183D1179-V1181 PolarHBondContact O-N 3.04Å; V1181-H1183 PolarHBondContact O-N 3.5Å
1182K37.1Very low39.8Very low130 Ų13089.3 Ų89.357%0.56549%0.487SS*.G310 helixtrans-72.4-1.5-171.5-67.2174.5-180164.20114.8
1183H36.2Very low39.8Very low3 Ų388.7 Ų88.71%0.01449%0.485CS..G310 helixtrans-108.5-24-165.5-170.385.4000115.3C660 T661 R664 V1181 E1185 F1186 E1187C660-H1183 VanDerWaalsContact CA-CE1 3.42Å; C660-H1183 WeakPolarHBondContact CA-CE1 3.18Å; C660-H1183 WeakPolarHBondContact CA-ND1 3.21Å; T661-H1183 WeakPolarHBondContact CB-CD2 3.31Å; T661-H1183 HydrophobicContact CG2-CB 3.54Å; T661-H1183 WeakPolarHBondContact CG2-CD2 3.47Å; T661-H1183 VanDerWaalsContact CG2-CG 3.4Å; T661-H1183 PolarHBondContact N-CD2 3.25Å; T661-H1183 VanDerWaalsContact N-CD2 3.34Å; T661-H1183 PolarHBondContact N-CE1 2.74Å; T661-H1183 VanDerWaalsContact N-CG 3.29Å; T661-H1183 PolarHBondContact N-ND1 3.18Å; T661-H1183 PolarHBondContact N-NE2 3.14Å; T661-H1183 VanDerWaalsContact N-NE2 3.13Å; T661-H1183 PolarHBondContact OG1-CD2 3.33Å; T661-H1183 PolarHBondContact OG1-NE2 3.21Å; R664-H1183 WeakPolarHBondContact CB-CE1 3.29Å; R664-H1183 WeakPolarHBondContact CB-NE2 3.45Å; V1181-H1183 PolarHBondContact O-N 3.5Å; H1183-E1185 PolarHBondContact O-N 3.07Å; H1183-F1186 AromaticContact CE1-CD1 3.12Å; H1183-F1186 WeakPolarHBondContact CE1-CD1 3.39Å; H1183-F1186 AromaticContact CE1-CE1 3.5Å; H1183-F1186 VanDerWaalsContact CE1-CE1 3.5Å; H1183-F1186 WeakPolarHBondContact CE1-CE1 3.27Å; H1183-F1186 AromaticContact ND1-CD1 3.4Å; H1183-F1186 WeakPolarHBondContact ND1-CD1 3.3Å; H1183-F1186 AromaticContact ND1-CE1 3.81Å; H1183-F1186 AromaticContact ND1-CG 3.91Å; H1183-F1186 AromaticContact NE2-CD1 3.98Å; H1183-F1186 WeakPolarHBondContact O-CB 3.18Å; H1183-F1186 PolarHBondContact O-N 3.34Å; H1183-F1186 VanDerWaalsContact O-N 3.08Å; H1183-E1187 IonicContact NE2-OE1 3.48Å
1184A35.9Very low39.6Very low92 Ų9288.9 Ų88.976%0.7649%0.488SS*.THydrogen-bonded Turntrans-64.6-26.1-17900000112.7F1186A1184-F1186 VanDerWaalsContact C-N 3.33Å
1185E33.1Very low39.7Very low154 Ų15482.8 Ų82.872%0.7248%0.475SS*.THydrogen-bonded Turntrans-81.1-12.9177.7-60.2178.8140.500113.2H1183 L1189H1183-E1185 PolarHBondContact O-N 3.07Å; E1185-L1189 WeakPolarHBondContact O-CD1 3.46Å
1186F35Very low40.2Very low8 Ų880.5 Ų80.54%0.03547%0.466CS..THydrogen-bonded Turntrans-77.7-57-166.8-172.1-116.6000113.3V628 D632 F656 R664 H1183 A1184 A1188 L1189 C1190V628-F1186 VanDerWaalsContact C-CE2 3.48Å; V628-F1186 HydrophobicContact CB-CE2 4.39Å; V628-F1186 HydrophobicContact CG1-CD2 4.38Å; V628-F1186 HydrophobicContact CG1-CE2 3.33Å; V628-F1186 HydrophobicContact CG1-CZ 3.46Å; V628-F1186 VanDerWaalsContact CG1-CZ 3.46Å; V628-F1186 VanDerWaalsContact O-CE2 3.26Å; V628-F1186 WeakPolarHBondContact O-CE2 3.3Å; D632-F1186 HydrophobicContact CB-CD1 4.19Å; D632-F1186 HydrophobicContact CB-CD2 4.01Å; D632-F1186 HydrophobicContact CB-CE1 3.68Å; D632-F1186 HydrophobicContact CB-CE2 3.43Å; D632-F1186 VanDerWaalsContact CB-CE2 3.43Å; D632-F1186 HydrophobicContact CB-CG 4.38Å; D632-F1186 HydrophobicContact CB-CZ 3.3Å; D632-F1186 WeakPolarHBondContact OD1-CE1 3.49Å; D632-F1186 WeakPolarHBondContact OD2-CD1 3.44Å; D632-F1186 WeakPolarHBondContact OD2-CE1 3.3Å; D632-F1186 WeakPolarHBondContact OD2-CG 3.23Å; F656-F1186 HydrophobicContact CE2-CE1 4.24Å; F656-F1186 AromaticContact CE2-CZ 3.61Å; F656-F1186 HydrophobicContact CE2-CZ 3.61Å; F656-F1186 AromaticContact CZ-CE1 3.99Å; F656-F1186 HydrophobicContact CZ-CE1 3.99Å; F656-F1186 AromaticContact CZ-CZ 3.84Å; F656-F1186 HydrophobicContact CZ-CZ 3.84Å; R664-F1186 HydrophobicContact CG-CD1 4.16Å; R664-F1186 HydrophobicContact CG-CE1 4.05Å; H1183-F1186 AromaticContact CE1-CD1 3.12Å; H1183-F1186 WeakPolarHBondContact CE1-CD1 3.39Å; H1183-F1186 AromaticContact CE1-CE1 3.5Å; H1183-F1186 VanDerWaalsContact CE1-CE1 3.5Å; H1183-F1186 WeakPolarHBondContact CE1-CE1 3.27Å; H1183-F1186 AromaticContact ND1-CD1 3.4Å; H1183-F1186 WeakPolarHBondContact ND1-CD1 3.3Å; H1183-F1186 AromaticContact ND1-CE1 3.81Å; H1183-F1186 AromaticContact ND1-CG 3.91Å; H1183-F1186 AromaticContact NE2-CD1 3.98Å; H1183-F1186 WeakPolarHBondContact O-CB 3.18Å; H1183-F1186 PolarHBondContact O-N 3.34Å; H1183-F1186 VanDerWaalsContact O-N 3.08Å; A1184-F1186 VanDerWaalsContact C-N 3.33Å; F1186-A1188 PolarHBondContact O-N 3Å; F1186-L1189 PolarHBondContact O-N 3.49Å; F1186-C1190 PolarHBondContact O-SG 3.2Å; F1186-C1190 VanDerWaalsContact O-SG 3.35Å
1187E29.5Very low40.9Very low44 Ų4476.1 Ų76.121%0.20645%0.449CS..G310 helixtrans-55.3-33.1-170.2-55-170.7158.900113K663 R664 H1183K663-E1187 WeakPolarHBondContact CB-OE1 3.4Å; K663-E1187 IonicContact NZ-OE2 3.74Å; K663-E1187 PolarHBondContact NZ-OE2 3.33Å; R664-E1187 HydrophobicContact CB-CG 4.09Å; R664-E1187 WeakPolarHBondContact CB-OE1 3.4Å; R664-E1187 HydrophobicContact CG-CG 4.46Å; R664-E1187 PolarHBondContact N-OE1 3.26Å; H1183-E1187 IonicContact NE2-OE1 3.48Å
1188A38.4Very low41.6Very low81 Ų8178.5 Ų78.567%0.66944%0.442SS*.G310 helixtrans-73.7-31.3-176.200000113.7F1186 C1190F1186-A1188 PolarHBondContact O-N 3Å; A1188-C1190 PolarHBondContact O-N 2.94Å
1189L39.1Very low42.7Very low106 Ų10677.3 Ų77.356%0.55544%0.436SS*.G310 helixtrans-74.4-11.2-173.6-72.7166.8000113.6E1185 F1186E1185-L1189 WeakPolarHBondContact O-CD1 3.46Å; F1186-L1189 PolarHBondContact O-N 3.49Å
1190C36.1Very low43.8Very low3 Ų379.8 Ų79.82%0.0245%0.447CS..THydrogen-bonded Turntrans-122.7-25.9-146-70.80000114.3D632 F1186 A1188 Q1192D632-C1190 HydrophobicContact CB-CB 3.99Å; D632-C1190 WeakPolarHBondContact CB-SG 3.3Å; D632-C1190 VanDerWaalsContact CG-SG 3.56Å; D632-C1190 WeakPolarHBondContact O-CB 3.31Å; D632-C1190 WeakPolarHBondContact OD2-CB 3.31Å; D632-C1190 PolarHBondContact OD2-SG 3.02Å; F1186-C1190 PolarHBondContact O-SG 3.2Å; F1186-C1190 VanDerWaalsContact O-SG 3.35Å; A1188-C1190 PolarHBondContact O-N 2.94Å; C1190-Q1192 PolarHBondContact O-N 3.3Å
1191A37.4Very low45.1Very low82 Ų8275.4 Ų75.468%0.67842%0.419SS*.THydrogen-bonded Turntrans-63.6-30162.300000111.9
1192Q44.8Very low46.3Very low149 Ų14974.1 Ų74.170%0.69641%0.407SS*.THydrogen-bonded Turntrans-74.1-30.4-177.1-161.916513.300112.7C1190 T1196C1190-Q1192 PolarHBondContact O-N 3.3Å; Q1192-T1196 PolarHBondContact O-OG1 3.33Å
1193A48.7Very low47.5Very low5 Ų570.2 Ų70.24%0.04140%0.395CS..Hα-helixtrans-89.8-20.4-164.400000115.9K633 V1195 T1196 C1197K633-A1193 HydrophobicContact CB-CB 3.51Å; K633-A1193 HydrophobicContact CD-CB 3.46Å; K633-A1193 VanDerWaalsContact CD-CB 3.46Å; K633-A1193 VanDerWaalsContact CE-CB 3.44Å; K633-A1193 HydrophobicContact CG-CB 3.38Å; A1193-V1195 PolarHBondContact O-N 3.21Å; A1193-T1196 PolarHBondContact O-N 2.87Å; A1193-C1197 WeakPolarHBondContact O-CB 3.34Å; A1193-C1197 PolarHBondContact O-N 2.62Å
1194V46Very low48.9Very low70 Ų7070.9 Ų70.942%0.42440%0.399SS..Hα-helixtrans-54.8-44.6174.8-176.80000111K633K633-V1194 WeakPolarHBondContact O-CG2 3.19Å; K633-V1194 PolarHBondContact O-N 3.46Å
1195V50.4Low50.4Low92 Ų9268.2 Ų68.256%0.55837%0.372SS*.Hα-helixtrans-70.2-50.1-176.81790000109.9A1193 C1197 K1198 E1199A1193-V1195 PolarHBondContact O-N 3.21Å; V1195-C1197 PolarHBondContact O-N 3.12Å; V1195-K1198 PolarHBondContact O-N 2.81Å; V1195-E1199 PolarHBondContact O-N 2.92Å
1196T56.7Low52.1Low54 Ų5465 Ų6533%0.33136%0.359SS..Hα-helixtrans-53.2-42.8177.4-42.60000111.4Q1192 A1193 K1198 E1199 E1200Q1192-T1196 PolarHBondContact O-OG1 3.33Å; A1193-T1196 PolarHBondContact O-N 2.87Å; T1196-K1198 PolarHBondContact O-N 3.2Å; T1196-E1199 PolarHBondContact O-N 3.02Å; T1196-E1199 VanDerWaalsContact O-N 3.17Å; T1196-E1200 HydrophobicContact CG2-CG 4.24Å; T1196-E1200 WeakPolarHBondContact CG2-OE1 3.04Å; T1196-E1200 WeakPolarHBondContact O-CB 3.46Å; T1196-E1200 WeakPolarHBondContact O-CG 2.83Å; T1196-E1200 PolarHBondContact O-N 3.32Å
1197C58Low53.7Low1 Ų166.6 Ų66.61%0.00737%0.368CS..Hα-helixtrans-58.7-41.1-178.7-1130000115E594 N598 K634 A1193 V1195 E1199 E1200 E1201E594-C1197 WeakPolarHBondContact CG-SG 3.36Å; E594-C1197 PolarHBondContact OE1-SG 2.95Å; N598-C1197 PolarHBondContact ND2-O 3.38Å; N598-C1197 VanDerWaalsContact OD1-CB 3.25Å; N598-C1197 WeakPolarHBondContact OD1-CB 3.49Å; N598-C1197 PolarHBondContact OD1-O 3.32Å; N598-C1197 PolarHBondContact OD1-SG 3.42Å; K634-C1197 WeakPolarHBondContact CE-SG 3.42Å; K634-C1197 PolarHBondContact NZ-SG 2.89Å; A1193-C1197 WeakPolarHBondContact O-CB 3.34Å; A1193-C1197 PolarHBondContact O-N 2.62Å; V1195-C1197 PolarHBondContact O-N 3.12Å; C1197-E1199 VanDerWaalsContact C-N 3.34Å; C1197-E1200 PolarHBondContact O-N 3.41Å; C1197-E1201 PolarHBondContact O-N 3.04Å
1198K55.6Low55.7Low147 Ų14765.8 Ų65.864%0.63937%0.365SS*.Hα-helixtrans-73-31.3180-170.6169-177.2172.10111.6V1195 T1196 N1202V1195-K1198 PolarHBondContact O-N 2.81Å; T1196-K1198 PolarHBondContact O-N 3.2Å; K1198-N1202 WeakPolarHBondContact O-CB 3.46Å; K1198-N1202 PolarHBondContact O-N 3.22Å; K1198-N1202 PolarHBondContact O-ND2 3.06Å; K1198-N1202 VanDerWaalsContact O-ND2 3.07Å
1199E60.8Low57.1Low122 Ų12263.9 Ų63.957%0.5735%0.347SS*.Hα-helixtrans-70.9-42.8173.1-63.9177.5160.600110.7V1195 T1196 C1197 T1203V1195-E1199 PolarHBondContact O-N 2.92Å; T1196-E1199 PolarHBondContact O-N 3.02Å; T1196-E1199 VanDerWaalsContact O-N 3.17Å; C1197-E1199 VanDerWaalsContact C-N 3.34Å; E1199-T1203 VanDerWaalsContact O-CB 3.29Å; E1199-T1203 WeakPolarHBondContact O-CB 3.46Å; E1199-T1203 PolarHBondContact O-N 3.1Å; E1199-T1203 PolarHBondContact O-OG1 2.93Å
1200E63.5Low58.5Low88 Ų8859.6 Ų59.641%0.41133%0.327SS..Hα-helixtrans-63.2-42.5175.2-75173.9172.400113.2T1196 C1197 T1203 C1204T1196-E1200 HydrophobicContact CG2-CG 4.24Å; T1196-E1200 WeakPolarHBondContact CG2-OE1 3.04Å; T1196-E1200 WeakPolarHBondContact O-CB 3.46Å; T1196-E1200 WeakPolarHBondContact O-CG 2.83Å; T1196-E1200 PolarHBondContact O-N 3.32Å; C1197-E1200 PolarHBondContact O-N 3.41Å; E1200-T1203 WeakPolarHBondContact O-CB 3.4Å; E1200-T1203 PolarHBondContact O-N 3.13Å; E1200-C1204 WeakPolarHBondContact O-CB 3.39Å; E1200-C1204 PolarHBondContact O-N 3.22Å
1201E64.7Low60.2Low23 Ų2360.7 Ų60.711%0.10734%0.336CS..Hα-helixtrans-66.8-44.5177.9-160.8-159.7140.100111.7K540 N598 T602 C1197 T1203 C1204 N1205K540-E1201 IonicContact NZ-OE1 2.67Å; K540-E1201 PolarHBondContact NZ-OE1 3.31Å; N598-E1201 HydrophobicContact CB-CB 4.35Å; N598-E1201 HydrophobicContact CB-CG 4.26Å; T602-E1201 WeakPolarHBondContact CG2-OE2 3.27Å; T602-E1201 PolarHBondContact OG1-OE2 3.01Å; C1197-E1201 PolarHBondContact O-N 3.04Å; E1201-T1203 VanDerWaalsContact C-N 3.27Å; E1201-T1203 PolarHBondContact O-N 3.43Å; E1201-C1204 PolarHBondContact O-N 3.4Å; E1201-N1205 PolarHBondContact O-N 3.02Å; E1201-N1205 PolarHBondContact O-ND2 3.14Å; E1201-N1205 PolarHBondContact OE1-ND2 3.24Å; E1201-N1205 VanDerWaalsContact OE1-ND2 3.14Å
1202N64.6Low62Low102 Ų10260.3 Ų60.355%0.54532%0.317SS..Hα-helixtrans-59.6-41.6175.5-76.8-30.6000111.2K1198 L1206K1198-N1202 WeakPolarHBondContact O-CB 3.46Å; K1198-N1202 PolarHBondContact O-N 3.22Å; K1198-N1202 PolarHBondContact O-ND2 3.06Å; K1198-N1202 VanDerWaalsContact O-ND2 3.07Å; N1202-L1206 WeakPolarHBondContact O-CB 3.48Å; N1202-L1206 PolarHBondContact O-N 3.06Å
1203T64Low63.3Low49 Ų4960.1 Ų60.130%0.30131%0.31SS..Hα-helixtrans-61.4-46.7174.2-59.50000111.2E1199 E1200 E1201 L1206 L1207 I1326E1199-T1203 VanDerWaalsContact O-CB 3.29Å; E1199-T1203 WeakPolarHBondContact O-CB 3.46Å; E1199-T1203 PolarHBondContact O-N 3.1Å; E1199-T1203 PolarHBondContact O-OG1 2.93Å; E1200-T1203 WeakPolarHBondContact O-CB 3.4Å; E1200-T1203 PolarHBondContact O-N 3.13Å; E1201-T1203 VanDerWaalsContact C-N 3.27Å; E1201-T1203 PolarHBondContact O-N 3.43Å; T1203-L1206 PolarHBondContact O-N 3.41Å; T1203-L1207 HydrophobicContact CG2-CD1 4.01Å; T1203-L1207 WeakPolarHBondContact O-CB 3.5Å; T1203-L1207 VanDerWaalsContact O-CG 3.24Å; T1203-L1207 WeakPolarHBondContact O-CG 3.45Å; T1203-L1207 PolarHBondContact O-N 3.13Å; T1203-I1326 HydrophobicContact CG2-CD1 3.65Å; T1203-I1326 HydrophobicContact CG2-CG1 4.34Å
1204C65.6Low64.6Low17 Ų1760.5 Ų60.512%0.11531%0.31CS..Hα-helixtrans-62.1-47.7178-178.20000112.9M533 E1200 E1201 L1206 L1207 L1208M533-C1204 HydrophobicContact CE-CB 3.79Å; M533-C1204 VanDerWaalsContact CE-SG 3.55Å; M533-C1204 HydrophobicContact SD-CB 4.38Å; M533-C1204 PolarHBondContact SD-SG 3.14Å; E1200-C1204 WeakPolarHBondContact O-CB 3.39Å; E1200-C1204 PolarHBondContact O-N 3.22Å; E1201-C1204 PolarHBondContact O-N 3.4Å; C1204-L1206 VanDerWaalsContact C-N 3.31Å; C1204-L1206 PolarHBondContact O-N 3.48Å; C1204-L1207 PolarHBondContact O-N 2.88Å; C1204-L1208 PolarHBondContact O-N 2.73Å
1205N66.7Low66.2Low36 Ų3658.4 Ų58.419%0.19330%0.297CS..Hα-helixtrans-63-39.3178.6-76.3-44.5000111.4H537 E1201 S1209H537-N1205 PolarHBondContact ND1-OD1 3.34Å; E1201-N1205 PolarHBondContact O-N 3.02Å; E1201-N1205 PolarHBondContact O-ND2 3.14Å; E1201-N1205 PolarHBondContact OE1-ND2 3.24Å; E1201-N1205 VanDerWaalsContact OE1-ND2 3.14Å; N1205-S1209 WeakPolarHBondContact O-CB 3.2Å; N1205-S1209 PolarHBondContact O-N 3.22Å; N1205-S1209 PolarHBondContact O-OG 3.38Å
1206L67.7Low67.6Low85 Ų8556.4 Ų56.445%0.44529%0.285SS..Hα-helixtrans-60-50.2172.5-164.6102000110.8N1202 T1203 C1204 L1208 S1209 A1210 I1326N1202-L1206 WeakPolarHBondContact O-CB 3.48Å; N1202-L1206 PolarHBondContact O-N 3.06Å; T1203-L1206 PolarHBondContact O-N 3.41Å; C1204-L1206 VanDerWaalsContact C-N 3.31Å; C1204-L1206 PolarHBondContact O-N 3.48Å; L1206-L1208 PolarHBondContact O-N 3.46Å; L1206-S1209 PolarHBondContact O-N 3.27Å; L1206-S1209 PolarHBondContact O-OG 3.33Å; L1206-A1210 WeakPolarHBondContact O-CB 3.48Å; L1206-A1210 PolarHBondContact O-N 2.76Å; L1206-I1326 HydrophobicContact CD2-CD1 4.13Å
1207L69.1Low68.4Low43 Ų4355.4 Ų55.423%0.22528%0.277CS..Hα-helixtrans-60.5-43.5179.3-72.8167.8000113T1203 C1204 A1210 A1211 I1326T1203-L1207 HydrophobicContact CG2-CD1 4.01Å; T1203-L1207 WeakPolarHBondContact O-CB 3.5Å; T1203-L1207 VanDerWaalsContact O-CG 3.24Å; T1203-L1207 WeakPolarHBondContact O-CG 3.45Å; T1203-L1207 PolarHBondContact O-N 3.13Å; C1204-L1207 PolarHBondContact O-N 2.88Å; L1207-A1210 PolarHBondContact O-N 3.06Å; L1207-A1211 VanDerWaalsContact O-CB 3.24Å; L1207-A1211 WeakPolarHBondContact O-CB 3.49Å; L1207-A1211 PolarHBondContact O-N 3.08Å; L1207-I1326 HydrophobicContact CD1-CD1 4.27Å; L1207-I1326 HydrophobicContact CD2-CD1 3.74Å; L1207-I1326 HydrophobicContact CD2-CG1 4.39Å; L1207-I1326 HydrophobicContact CG-CD1 3.84Å
1208L71.2Confident69.3Low26 Ų2657 Ų5714%0.13629%0.285CS..Hα-helixtrans-63.4-44.7176.3-78.6166.4000111.5Q534 H537 C1204 L1206 A1211 R1212Q534-L1208 HydrophobicContact CG-CD2 3.79Å; H537-L1208 HydrophobicContact CB-CD1 4.2Å; C1204-L1208 PolarHBondContact O-N 2.73Å; L1206-L1208 PolarHBondContact O-N 3.46Å; L1208-A1211 PolarHBondContact O-N 3.15Å; L1208-R1212 PolarHBondContact O-N 3.22Å
1209S68.8Low70.6Confident42 Ų4250 Ų5029%0.29426%0.255SS..Hα-helixtrans-68.1-34.1178.281.60000112.9N1205 L1206 R1213N1205-S1209 WeakPolarHBondContact O-CB 3.2Å; N1205-S1209 PolarHBondContact O-N 3.22Å; N1205-S1209 PolarHBondContact O-OG 3.38Å; L1206-S1209 PolarHBondContact O-N 3.27Å; L1206-S1209 PolarHBondContact O-OG 3.33Å; S1209-R1213 WeakPolarHBondContact O-CG 3.32Å; S1209-R1213 PolarHBondContact O-N 3.05Å; S1209-R1213 PolarHBondContact O-NE 2.85Å; S1209-R1213 PolarHBondContact OG-NH2 3.18Å
1210A68.7Low71.4Confident15 Ų1552.4 Ų52.412%0.12426%0.259CS..Hα-helixtrans-68.9-47.817400000110.1L1206 L1207 R1212 R1213 R1214L1206-A1210 WeakPolarHBondContact O-CB 3.48Å; L1206-A1210 PolarHBondContact O-N 2.76Å; L1207-A1210 PolarHBondContact O-N 3.06Å; A1210-R1212 VanDerWaalsContact C-N 3.34Å; A1210-R1212 PolarHBondContact O-N 3.27Å; A1210-R1213 PolarHBondContact O-N 3.09Å; A1210-R1213 VanDerWaalsContact O-N 3.17Å; A1210-R1214 VanDerWaalsContact O-CB 3.29Å; A1210-R1214 WeakPolarHBondContact O-CB 3.36Å; A1210-R1214 PolarHBondContact O-N 3.04Å
1211A72.1Confident71.9Confident27 Ų2751.9 Ų51.922%0.22325%0.253CS..Hα-helixtrans-58.6-41.1177.500000112.9L1207 L1208 N1215L1207-A1211 VanDerWaalsContact O-CB 3.24Å; L1207-A1211 WeakPolarHBondContact O-CB 3.49Å; L1207-A1211 PolarHBondContact O-N 3.08Å; L1208-A1211 PolarHBondContact O-N 3.15Å; A1211-N1215 VanDerWaalsContact O-CB 3.25Å; A1211-N1215 WeakPolarHBondContact O-CB 3.2Å; A1211-N1215 PolarHBondContact O-N 3.33Å; A1211-N1215 PolarHBondContact O-ND2 3.38Å; A1211-N1215 PolarHBondContact O-OD1 3.07Å
1212R74.8Confident72.5Confident73 Ų7352.4 Ų52.428%0.27526%0.256SS..Hα-helixtrans-63.2-46.9173.8-74.4-175.4-178.4153.37.1112.4H537 Y542 L1208 A1210 N1215 V1216H537-R1212 PolarHBondContact CD2-NH2 2.71Å; H537-R1212 PolarHBondContact NE2-NH1 3.25Å; H537-R1212 PolarHBondContact NE2-NH2 3.3Å; Y542-R1212 PolarHBondContact OH-NH1 3.12Å; Y542-R1212 VanDerWaalsContact OH-NH1 3.11Å; L1208-R1212 PolarHBondContact O-N 3.22Å; A1210-R1212 VanDerWaalsContact C-N 3.34Å; A1210-R1212 PolarHBondContact O-N 3.27Å; R1212-N1215 WeakPolarHBondContact O-CB 3.41Å; R1212-N1215 PolarHBondContact O-N 2.88Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.18Å; R1212-V1216 PolarHBondContact O-N 3.31Å; R1212-V1216 VanDerWaalsContact O-N 3.17Å
1213R72.3Confident73.1Confident146 Ų14648.3 Ų48.355%0.55123%0.234SC*.Hα-helixtrans-60-47.4175.9-78.3177.8-81.9173.7-8.7111.7S1209 A1210 N1215 V1216 I1217S1209-R1213 WeakPolarHBondContact O-CG 3.32Å; S1209-R1213 PolarHBondContact O-N 3.05Å; S1209-R1213 PolarHBondContact O-NE 2.85Å; S1209-R1213 PolarHBondContact OG-NH2 3.18Å; A1210-R1213 PolarHBondContact O-N 3.09Å; A1210-R1213 VanDerWaalsContact O-N 3.17Å; R1213-N1215 PolarHBondContact O-N 3.43Å; R1213-V1216 PolarHBondContact O-N 2.86Å; R1213-I1217 WeakPolarHBondContact O-CG1 3.45Å; R1213-I1217 PolarHBondContact O-N 2.87Å; R1213-I1217 VanDerWaalsContact O-N 3.1Å
1214R74.3Confident73.5Confident12 Ų1250.8 Ų50.85%0.04524%0.242CC..Hα-helixtrans-55.1-47.4175.2-163.5-162.5-60.4126.95112.1A1210 V1216 I1217 I1218 D1352 H1375A1210-R1214 VanDerWaalsContact O-CB 3.29Å; A1210-R1214 WeakPolarHBondContact O-CB 3.36Å; A1210-R1214 PolarHBondContact O-N 3.04Å; R1214-V1216 PolarHBondContact O-N 2.81Å; R1214-I1217 PolarHBondContact O-N 2.7Å; R1214-I1218 HydrophobicContact CG-CD1 3.86Å; R1214-I1218 HydrophobicContact CG-CG1 4.48Å; R1214-I1218 WeakPolarHBondContact O-CB 3.33Å; R1214-I1218 VanDerWaalsContact O-CG1 3.31Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.46Å; R1214-I1218 PolarHBondContact O-N 2.91Å; R1214-D1352 WeakPolarHBondContact CG-OD1 3.47Å; R1214-D1352 IonicContact CZ-OD1 3.17Å; R1214-D1352 IonicContact CZ-OD2 2.65Å; R1214-D1352 IonicContact NE-OD1 2.79Å; R1214-D1352 PolarHBondContact NE-OD1 3.43Å; R1214-D1352 IonicContact NE-OD2 3.39Å; R1214-D1352 IonicContact NH2-OD1 2.74Å; R1214-D1352 PolarHBondContact NH2-OD1 3.39Å; R1214-D1352 IonicContact NH2-OD2 3.66Å; R1214-D1352 PolarHBondContact NH2-OD2 3.1Å; R1214-H1375 HydrophobicContact CG-CB 3.78Å
1215N79.8Confident73.8Confident27 Ų2753.9 Ų53.914%0.14425%0.254CS..Hα-helixtrans-57.7-44.3178-80.6-10.1000112.3L442 Y488 A1211 R1212 R1213 S1219L442-N1215 HydrophobicContact CD1-CB 3.52Å; Y488-N1215 WeakPolarHBondContact CE1-ND2 3.29Å; A1211-N1215 VanDerWaalsContact O-CB 3.25Å; A1211-N1215 WeakPolarHBondContact O-CB 3.2Å; A1211-N1215 PolarHBondContact O-N 3.33Å; A1211-N1215 PolarHBondContact O-ND2 3.38Å; A1211-N1215 PolarHBondContact O-OD1 3.07Å; R1212-N1215 WeakPolarHBondContact O-CB 3.41Å; R1212-N1215 PolarHBondContact O-N 2.88Å; R1213-N1215 PolarHBondContact O-N 3.43Å; N1215-S1219 WeakPolarHBondContact O-CB 3.27Å; N1215-S1219 PolarHBondContact O-N 3.02Å
1216V80.2Confident74Confident49 Ų4952.8 Ų52.830%0.29725%0.248SC..Hα-helixtrans-62.9-43.1175.5175.30000111.5V446 R1212 R1213 R1214 S1219 R1220V446-V1216 HydrophobicContact CG1-CB 4.41Å; V446-V1216 HydrophobicContact CG1-CG1 4.29Å; V446-V1216 HydrophobicContact CG1-CG2 4.17Å; V446-V1216 HydrophobicContact CG2-CG2 4.23Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.18Å; R1212-V1216 PolarHBondContact O-N 3.31Å; R1212-V1216 VanDerWaalsContact O-N 3.17Å; R1213-V1216 PolarHBondContact O-N 2.86Å; R1214-V1216 PolarHBondContact O-N 2.81Å; V1216-S1219 PolarHBondContact O-N 2.93Å; V1216-R1220 WeakPolarHBondContact O-CG 3.37Å; V1216-R1220 PolarHBondContact O-N 2.81Å
1217I74.1Confident74.1Confident34 Ų3450.6 Ų50.617%0.17424%0.238CC..Hα-helixtrans-68.7-43.9-179-62.4165.7000111.3R1213 R1214 S1219 R1220 R1221 H1375R1213-I1217 WeakPolarHBondContact O-CG1 3.45Å; R1213-I1217 PolarHBondContact O-N 2.87Å; R1213-I1217 VanDerWaalsContact O-N 3.1Å; R1214-I1217 PolarHBondContact O-N 2.7Å; I1217-S1219 PolarHBondContact O-N 3.1Å; I1217-R1220 PolarHBondContact O-N 2.83Å; I1217-R1221 WeakPolarHBondContact O-CG 3.44Å; I1217-R1221 PolarHBondContact O-N 3.07Å; I1217-H1375 VanDerWaalsContact CG2-CD2 3.49Å; I1217-H1375 WeakPolarHBondContact CG2-CD2 3.32Å
1218I77.8Confident74Confident33 Ų3350 Ų5017%0.16924%0.235CC..Hα-helixtrans-58.9-47.9174.8-69.4168.6000110.3L442 R1214 R1220 R1221 I1222 H1375L442-I1218 HydrophobicContact CD2-CB 4.23Å; L442-I1218 HydrophobicContact CD2-CG2 3.71Å; R1214-I1218 HydrophobicContact CG-CD1 3.86Å; R1214-I1218 HydrophobicContact CG-CG1 4.48Å; R1214-I1218 WeakPolarHBondContact O-CB 3.33Å; R1214-I1218 VanDerWaalsContact O-CG1 3.31Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.46Å; R1214-I1218 PolarHBondContact O-N 2.91Å; I1218-R1220 PolarHBondContact O-N 3.26Å; I1218-R1221 PolarHBondContact O-N 3.35Å; I1218-I1222 HydrophobicContact CG2-CD1 3.65Å; I1218-I1222 HydrophobicContact CG2-CG1 4.43Å; I1218-I1222 WeakPolarHBondContact O-CG1 3.26Å; I1218-I1222 PolarHBondContact O-N 3.23Å; I1218-H1375 HydrophobicContact CG1-CB 4.46Å
1219S81Confident73.6Confident1 Ų152.8 Ų52.81%0.00725%0.249CC..Hα-helixtrans-56.4-49.5176.9171.60000112.3N1215 V1216 I1217 R1221 I1222 L1223N1215-S1219 WeakPolarHBondContact O-CB 3.27Å; N1215-S1219 PolarHBondContact O-N 3.02Å; V1216-S1219 PolarHBondContact O-N 2.93Å; I1217-S1219 PolarHBondContact O-N 3.1Å; S1219-R1221 VanDerWaalsContact C-N 3.32Å; S1219-R1221 PolarHBondContact O-N 3.01Å; S1219-I1222 PolarHBondContact O-N 2.92Å; S1219-L1223 WeakPolarHBondContact O-CG 3.34Å; S1219-L1223 PolarHBondContact O-N 3.03Å
1220R78.6Confident73.3Confident173 Ų17354 Ų5465%0.65325%0.252SS*.Hα-helixtrans-59.3-38.9176.9-73.7176.4179.7176.31.4112.7V1216 I1217 I1218 Q1224V1216-R1220 WeakPolarHBondContact O-CG 3.37Å; V1216-R1220 PolarHBondContact O-N 2.81Å; I1217-R1220 PolarHBondContact O-N 2.83Å; I1218-R1220 PolarHBondContact O-N 3.26Å; R1220-Q1224 WeakPolarHBondContact O-CB 3.13Å; R1220-Q1224 PolarHBondContact O-N 2.87Å
1221R74.3Confident72.9Confident77 Ų7757.3 Ų57.329%0.29127%0.268SS..Hα-helixtrans-68.7-41.4176.9-71175.6-172-1420.5112.9I1217 I1218 S1219 L1223 Q1224 K1225 E1355 C1371I1217-R1221 WeakPolarHBondContact O-CG 3.44Å; I1217-R1221 PolarHBondContact O-N 3.07Å; I1218-R1221 PolarHBondContact O-N 3.35Å; S1219-R1221 VanDerWaalsContact C-N 3.32Å; S1219-R1221 PolarHBondContact O-N 3.01Å; R1221-L1223 VanDerWaalsContact C-N 3.35Å; R1221-Q1224 PolarHBondContact O-N 2.75Å; R1221-K1225 WeakPolarHBondContact O-CB 3.45Å; R1221-K1225 PolarHBondContact O-N 3.12Å; R1221-E1355 IonicContact NH2-OE1 2.65Å; R1221-E1355 PolarHBondContact NH2-OE1 3Å; R1221-C1371 PolarHBondContact NH1-O 3.14Å
1222I77.2Confident72Confident33 Ų3357.9 Ų57.917%0.16927%0.27CS..Hα-helixtrans-59.9-48.8175.2-68160000109.6V443 I1218 S1219 Q1224 K1225 I1226V443-I1222 HydrophobicContact CG2-CB 4.24Å; V443-I1222 HydrophobicContact CG2-CD1 4.16Å; V443-I1222 HydrophobicContact CG2-CG2 3.97Å; I1218-I1222 HydrophobicContact CG2-CD1 3.65Å; I1218-I1222 HydrophobicContact CG2-CG1 4.43Å; I1218-I1222 WeakPolarHBondContact O-CG1 3.26Å; I1218-I1222 PolarHBondContact O-N 3.23Å; S1219-I1222 PolarHBondContact O-N 2.92Å; I1222-Q1224 PolarHBondContact O-N 3.38Å; I1222-K1225 PolarHBondContact O-N 2.69Å; I1222-I1226 HydrophobicContact CG2-CD1 3.81Å; I1222-I1226 WeakPolarHBondContact O-CD1 3.38Å; I1222-I1226 VanDerWaalsContact O-CG1 3.3Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.42Å; I1222-I1226 PolarHBondContact O-N 3.24Å
1223L77.5Confident70.8Confident17 Ų1761.6 Ų61.69%0.08930%0.295CS..Hα-helixtrans-58.7-48175.7-72.3166.8000112L400 V443 S1219 R1221 K1225 I1226 V1227L400-L1223 HydrophobicContact CB-CD2 4.01Å; L400-L1223 WeakPolarHBondContact O-CD2 3.31Å; V443-L1223 HydrophobicContact CG1-CD1 3.96Å; V443-L1223 HydrophobicContact CG1-CD2 3.72Å; V443-L1223 HydrophobicContact CG1-CG 3.77Å; S1219-L1223 WeakPolarHBondContact O-CG 3.34Å; S1219-L1223 PolarHBondContact O-N 3.03Å; R1221-L1223 VanDerWaalsContact C-N 3.35Å; L1223-K1225 PolarHBondContact O-N 3.24Å; L1223-I1226 PolarHBondContact O-N 3.31Å; L1223-V1227 WeakPolarHBondContact O-CB 3.41Å; L1223-V1227 VanDerWaalsContact O-CG2 3.28Å; L1223-V1227 WeakPolarHBondContact O-CG2 3.19Å; L1223-V1227 PolarHBondContact O-N 3.09Å
1224Q72.6Confident69.9Low100 Ų10063.9 Ų63.947%0.46731%0.305SS..Hα-helixtrans-62.5-40.3178.9-167.865.85700112.2R1220 R1221 I1222 V1227 N1228R1220-Q1224 WeakPolarHBondContact O-CB 3.13Å; R1220-Q1224 PolarHBondContact O-N 2.87Å; R1221-Q1224 PolarHBondContact O-N 2.75Å; I1222-Q1224 PolarHBondContact O-N 3.38Å; Q1224-V1227 PolarHBondContact O-N 3.24Å; Q1224-N1228 PolarHBondContact NE2-OD1 2.94Å; Q1224-N1228 WeakPolarHBondContact O-CB 3.08Å; Q1224-N1228 PolarHBondContact O-N 3.4Å; Q1224-N1228 PolarHBondContact O-OD1 2.99Å; Q1224-N1228 VanDerWaalsContact O-OD1 3.13Å
1225K70.1Confident69.3Low83 Ų8365.4 Ų65.436%0.36133%0.325SS..Hα-helixtrans-61.3-44.7176.2-168.7167.7-174.5168.20110.8R1221 I1222 L1223 N1228 I1229 E1372R1221-K1225 WeakPolarHBondContact O-CB 3.45Å; R1221-K1225 PolarHBondContact O-N 3.12Å; I1222-K1225 PolarHBondContact O-N 2.69Å; L1223-K1225 PolarHBondContact O-N 3.24Å; K1225-N1228 PolarHBondContact O-N 3.34Å; K1225-I1229 HydrophobicContact CG-CD1 4.27Å; K1225-I1229 WeakPolarHBondContact O-CD1 3.41Å; K1225-I1229 VanDerWaalsContact O-CG1 3.23Å; K1225-I1229 WeakPolarHBondContact O-CG1 3.37Å; K1225-I1229 PolarHBondContact O-N 2.89Å; K1225-E1372 IonicContact NZ-OE1 3.87Å; K1225-E1372 PolarHBondContact NZ-OE1 3.34Å
1226I71.3Confident69.1Low13 Ų1367.8 Ų67.87%0.06733%0.332CS..Hα-helixtrans-66.8-45.8176.8-62.3161.1000111.2Q397 L400 P401 I1222 L1223 N1228 I1229 L1230Q397-I1226 HydrophobicContact CB-CD1 4.21Å; L400-I1226 HydrophobicContact CB-CD1 4.26Å; L400-I1226 HydrophobicContact CD1-CD1 3.84Å; P401-I1226 HydrophobicContact CG-CB 4.23Å; P401-I1226 HydrophobicContact CG-CG2 3.63Å; I1222-I1226 HydrophobicContact CG2-CD1 3.81Å; I1222-I1226 WeakPolarHBondContact O-CD1 3.38Å; I1222-I1226 VanDerWaalsContact O-CG1 3.3Å; I1222-I1226 WeakPolarHBondContact O-CG1 3.42Å; I1222-I1226 PolarHBondContact O-N 3.24Å; L1223-I1226 PolarHBondContact O-N 3.31Å; I1226-N1228 VanDerWaalsContact C-N 3.28Å; I1226-N1228 PolarHBondContact O-N 3.47Å; I1226-I1229 PolarHBondContact O-N 3.12Å; I1226-L1230 HydrophobicContact CG2-CD1 3.92Å; I1226-L1230 HydrophobicContact CG2-CG 4.38Å; I1226-L1230 WeakPolarHBondContact O-CB 3.47Å; I1226-L1230 VanDerWaalsContact O-CG 3.31Å; I1226-L1230 WeakPolarHBondContact O-CG 3.42Å; I1226-L1230 PolarHBondContact O-N 3.36Å
1227V71.1Confident69.1Low38 Ų3870.6 Ų70.623%0.2334%0.337CS..Hα-helixtrans-60.5-38177.3168.20000111.4P401 L1223 Q1224 L1230 N1231P401-V1227 HydrophobicContact CB-CG2 3.85Å; P401-V1227 HydrophobicContact CG-CG2 3.88Å; L1223-V1227 WeakPolarHBondContact O-CB 3.41Å; L1223-V1227 VanDerWaalsContact O-CG2 3.28Å; L1223-V1227 WeakPolarHBondContact O-CG2 3.19Å; L1223-V1227 PolarHBondContact O-N 3.09Å; Q1224-V1227 PolarHBondContact O-N 3.24Å; V1227-L1230 PolarHBondContact O-N 3.2Å; V1227-N1231 VanDerWaalsContact CG1-ND2 3.3Å; V1227-N1231 WeakPolarHBondContact CG1-ND2 3.45Å; V1227-N1231 WeakPolarHBondContact O-CB 3.5Å; V1227-N1231 PolarHBondContact O-N 2.78Å; V1227-N1231 PolarHBondContact O-ND2 2.92Å
1228N65.2Low69.7Low30 Ų3069.4 Ų69.416%0.1633%0.332CS..Hα-helixtrans-69-43.4175.3-74.717.7000111.9Q1224 K1225 I1226 L1230 N1231 S1232 P1256 Y1257Q1224-N1228 PolarHBondContact NE2-OD1 2.94Å; Q1224-N1228 WeakPolarHBondContact O-CB 3.08Å; Q1224-N1228 PolarHBondContact O-N 3.4Å; Q1224-N1228 PolarHBondContact O-OD1 2.99Å; Q1224-N1228 VanDerWaalsContact O-OD1 3.13Å; K1225-N1228 PolarHBondContact O-N 3.34Å; I1226-N1228 VanDerWaalsContact C-N 3.28Å; I1226-N1228 PolarHBondContact O-N 3.47Å; N1228-L1230 PolarHBondContact O-N 2.83Å; N1228-N1231 PolarHBondContact O-N 3.36Å; N1228-S1232 WeakPolarHBondContact O-CB 3.09Å; N1228-S1232 PolarHBondContact O-N 2.97Å; N1228-P1256 HydrophobicContact CB-CB 3.8Å; N1228-P1256 WeakPolarHBondContact CB-O 3.3Å; N1228-P1256 PolarHBondContact ND2-O 3.38Å; N1228-Y1257 WeakPolarHBondContact ND2-CD1 3.23Å; N1228-Y1257 WeakPolarHBondContact ND2-CE1 3.49Å
1229I62.9Low70.1Confident85 Ų8568.3 Ų68.344%0.43633%0.326SS..Hα-helixtrans-58.2-38.6173.6-69.4162.3000111.1K1225 I1226 P1256K1225-I1229 HydrophobicContact CG-CD1 4.27Å; K1225-I1229 WeakPolarHBondContact O-CD1 3.41Å; K1225-I1229 VanDerWaalsContact O-CG1 3.23Å; K1225-I1229 WeakPolarHBondContact O-CG1 3.37Å; K1225-I1229 PolarHBondContact O-N 2.89Å; I1226-I1229 PolarHBondContact O-N 3.12Å; I1229-P1256 HydrophobicContact CG1-CB 4.37Å
1230L62.7Low70.2Confident68 Ų6869.6 Ų69.636%0.35633%0.333SS..Hα-helixtrans-75.8-24.3179.1-70171.8000114.7I398 P401 I1226 V1227 N1228I398-L1230 HydrophobicContact CB-CD1 4.42Å; I398-L1230 HydrophobicContact CB-CD2 4.23Å; I398-L1230 HydrophobicContact CG2-CD2 4.16Å; P401-L1230 HydrophobicContact CG-CD1 4.19Å; I1226-L1230 HydrophobicContact CG2-CD1 3.92Å; I1226-L1230 HydrophobicContact CG2-CG 4.38Å; I1226-L1230 WeakPolarHBondContact O-CB 3.47Å; I1226-L1230 VanDerWaalsContact O-CG 3.31Å; I1226-L1230 WeakPolarHBondContact O-CG 3.42Å; I1226-L1230 PolarHBondContact O-N 3.36Å; V1227-L1230 PolarHBondContact O-N 3.2Å; N1228-L1230 PolarHBondContact O-N 2.83Å
1231N61.3Low70.4Confident85 Ų8564.1 Ų64.146%0.45532%0.317SS..Hα-helixtrans-99.5-11.1178.1-68.8-52.4000113.3R101 V1227 N1228 D1233R101-N1231 PolarHBondContact NH1-OD1 3.48Å; R101-N1231 VanDerWaalsContact NH1-OD1 3.09Å; V1227-N1231 VanDerWaalsContact CG1-ND2 3.3Å; V1227-N1231 WeakPolarHBondContact CG1-ND2 3.45Å; V1227-N1231 WeakPolarHBondContact O-CB 3.5Å; V1227-N1231 PolarHBondContact O-N 2.78Å; V1227-N1231 PolarHBondContact O-ND2 2.92Å; N1228-N1231 PolarHBondContact O-N 3.36Å; N1231-D1233 PolarHBondContact O-N 3.19Å
1232S53Low71.1Confident39 Ų3965.8 Ų65.827%0.27332%0.323SS..  trans-73.3119.1-179.6-173.80000110.5N1228 Y1234N1228-S1232 WeakPolarHBondContact O-CB 3.09Å; N1228-S1232 PolarHBondContact O-N 2.97Å; S1232-Y1234 PolarHBondContact O-N 2.93Å
1233D50.4Low71.6Confident150 Ų15064.8 Ų64.880%0.80232%0.317SS*.  trans-63.8119.4154.3-69-41.9000107.3N1231 G1235N1231-D1233 PolarHBondContact O-N 3.19Å; D1233-G1235 PolarHBondContact O-N 2.66Å; D1233-G1235 VanDerWaalsContact O-N 3.08Å
1234Y51.6Low72Confident195 Ų19565 Ų6577%0.76532%0.319SS*.SBendtrans-61111.9-174.8-68.3-90.2000111.1S1232S1232-Y1234 PolarHBondContact O-N 2.93Å
1235G61.8Low72.5Confident44 Ų4465.3 Ų65.345%0.45432%0.324SS..  trans-162.4-24.7-179.700000117.4D1233D1233-G1235 PolarHBondContact O-N 2.66Å; D1233-G1235 VanDerWaalsContact O-N 3.08Å
1236Y76.4Confident73.3Confident76 Ų7661.8 Ų61.830%0.29831%0.31SS..  trans-114.2150.1-170.9-56.7-69.9000114.2N1255 G1258 N1603Y1236-N1255 PolarHBondContact O-N 2.88Å; Y1236-G1258 WeakPolarHBondContact CD2-O 3.11Å; Y1236-N1603 HydrophobicContact CD1-CB 4.17Å
1237W80.6Confident74.2Confident108 Ų10862 Ų6241%0.40931%0.309SS..EExtended strand (participates in β ladder)trans-126.5150.8-174.6-59.291.9000112.5L1252 I1253 P1254 I1602 N1603W1237-L1252 HydrophobicContact CB-CB 4.34Å; W1237-L1252 HydrophobicContact CB-CD1 4.25Å; W1237-L1252 HydrophobicContact CE3-CB 4.08Å; W1237-I1253 WeakPolarHBondContact CA-O 3.45Å; W1237-P1254 HydrophobicContact CE3-CG 4.49Å; W1237-P1254 HydrophobicContact CH2-CG 4.42Å; W1237-P1254 HydrophobicContact CZ3-CG 3.96Å; W1237-I1602 HydrophobicContact CB-CD1 3.82Å; W1237-I1602 HydrophobicContact CG-CD1 4.12Å; W1237-N1603 PolarHBondContact N-OD1 3.2Å; W1237-N1603 PolarHBondContact O-ND2 3.03Å
1238T86.1Confident75Confident10 Ų1062 Ų626%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-138.4152.2174.7-176.10000110.2L1252 I1253 N1255 E1547T1238-L1252 WeakPolarHBondContact O-CA 3.36Å; T1238-I1253 HydrophobicContact CG2-CD1 4.25Å; T1238-I1253 HydrophobicContact CG2-CG1 3.66Å; T1238-I1253 PolarHBondContact N-O 3.24Å; T1238-I1253 PolarHBondContact O-N 3.46Å; T1238-N1255 HydrophobicContact CG2-CB 3.74Å; T1238-E1547 PolarHBondContact OG1-O 2.86Å; T1238-E1547 VanDerWaalsContact OG1-O 3.09Å
1239L85.5Confident76Confident9 Ų961 Ų615%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-69.8134175.1-164.965.2000111.3R1249 L1252 E1547 F1549 L1595L1239-R1249 HydrophobicContact CD1-CB 4.4Å; L1239-R1249 WeakPolarHBondContact CD1-O 3.41Å; L1239-R1249 HydrophobicContact CD2-CB 4.16Å; L1239-R1249 HydrophobicContact CG-CB 4.23Å; L1239-L1252 HydrophobicContact CB-CD2 4.48Å; L1239-L1252 HydrophobicContact CD1-CD2 4.03Å; L1239-E1547 PolarHBondContact N-O 3.42Å; L1239-F1549 HydrophobicContact CD2-CE2 3.89Å; L1239-L1595 HydrophobicContact CD1-CD1 4.42Å; L1239-L1595 HydrophobicContact CD1-CD2 3.62Å; L1239-L1595 HydrophobicContact CD2-CD2 4.47Å
1240D84.9Confident76.3Confident28 Ų2861.4 Ų61.415%0.1530%0.298CS..  trans-68.9147.2173.9-163.2-18.8000111.2W1242 R1249 R1251 I1253D1240-W1242 VanDerWaalsContact C-N 3.3Å; D1240-W1242 WeakPolarHBondContact OD1-CB 3.18Å; D1240-W1242 PolarHBondContact OD1-N 2.98Å; D1240-R1249 WeakPolarHBondContact O-CD 3.41Å; D1240-R1251 HydrophobicContact CB-CB 3.98Å; D1240-R1251 VanDerWaalsContact CB-O 3.22Å; D1240-R1251 WeakPolarHBondContact CB-O 3.35Å; D1240-R1251 PolarHBondContact N-O 3.22Å; D1240-R1251 WeakPolarHBondContact OD2-CD 3.39Å; D1240-I1253 HydrophobicContact CB-CG2 4.22Å
1241L83.1Confident76.8Confident59 Ų5965.9 Ų65.931%0.30931%0.31SS..SBendtrans-78.1-16.4173.8-67.9172.3000112.4E1372 T1406L1241-E1372 HydrophobicContact CD1-CB 4.43Å; L1241-E1372 HydrophobicContact CD1-CG 4.13Å; L1241-T1406 HydrophobicContact CB-CG2 4.32Å
1242W87Confident77.6Confident111 Ų11163.4 Ų63.442%0.4230%0.296SS..  trans-67.1128.7-178-173.399.4000113.5D1240 D1244 R1405D1240-W1242 VanDerWaalsContact C-N 3.3Å; D1240-W1242 WeakPolarHBondContact OD1-CB 3.18Å; D1240-W1242 PolarHBondContact OD1-N 2.98Å; W1242-D1244 HydrophobicContact CH2-CB 3.85Å; W1242-D1244 HydrophobicContact CZ3-CB 3.69Å; W1242-R1405 HydrophobicContact CD2-CB 4.18Å; W1242-R1405 HydrophobicContact CG-CB 4.09Å; W1242-R1405 HydrophobicContact CZ2-CB 4.35Å; W1242-R1405 HydrophobicContact CZ2-CG 3.92Å
1243E88.1Confident78.8Confident12 Ų1264 Ų646%0.05630%0.296CS..  trans-109.1130.3-179-67.4-170.2-142.600113.3R1247 R1249 R1405 Y1482E1243-R1247 IonicContact OE1-CZ 2.75Å; E1243-R1247 IonicContact OE1-NE 2.77Å; E1243-R1247 IonicContact OE1-NH2 3.58Å; E1243-R1247 PolarHBondContact OE1-NH2 3.27Å; E1243-R1247 WeakPolarHBondContact OE2-CA 3.27Å; E1243-R1247 WeakPolarHBondContact OE2-CB 3.07Å; E1243-R1247 WeakPolarHBondContact OE2-CG 3.28Å; E1243-R1247 IonicContact OE2-CZ 3.96Å; E1243-R1247 IonicContact OE2-NE 3.18Å; E1243-R1247 PolarHBondContact OE2-NE 3.14Å; E1243-R1247 IonicContact OE2-NH2 3.83Å; E1243-R1249 HydrophobicContact CG-CG 3.95Å; E1243-R1405 PolarHBondContact N-O 3.24Å; E1243-R1405 WeakPolarHBondContact O-CB 3.27Å; E1243-Y1482 HydrophobicContact CG-CD2 4.39Å; E1243-Y1482 HydrophobicContact CG-CE2 4.3Å; E1243-Y1482 WeakPolarHBondContact OE1-CD2 3.11Å
1244D86.3Confident79.9Confident23 Ų2360.7 Ų60.712%0.12328%0.283CS..  trans-71.9175.3170.378.913.3000113.5W1242 S1246 R1247 R1248 K1250W1242-D1244 HydrophobicContact CH2-CB 3.85Å; W1242-D1244 HydrophobicContact CZ3-CB 3.69Å; D1244-S1246 PolarHBondContact O-N 2.89Å; D1244-S1246 WeakPolarHBondContact OD1-CA 3.47Å; D1244-S1246 WeakPolarHBondContact OD1-CB 3.41Å; D1244-S1246 PolarHBondContact OD1-N 2.86Å; D1244-R1247 WeakPolarHBondContact O-CA 3.28Å; D1244-R1247 PolarHBondContact O-N 2.82Å; D1244-R1248 VanDerWaalsContact CG-NH2 3.33Å; D1244-R1248 PolarHBondContact N-O 2.85Å; D1244-R1248 WeakPolarHBondContact OD1-CB 3.45Å; D1244-R1248 IonicContact OD1-CZ 3.44Å; D1244-R1248 PolarHBondContact OD1-N 3.17Å; D1244-R1248 IonicContact OD1-NE 3.74Å; D1244-R1248 PolarHBondContact OD1-NE 3.44Å; D1244-R1248 VanDerWaalsContact OD1-NE 3.09Å; D1244-R1248 IonicContact OD1-NH2 2.7Å; D1244-R1248 PolarHBondContact OD1-NH2 3.11Å; D1244-R1248 IonicContact OD2-CZ 4Å; D1244-R1248 IonicContact OD2-NE 3.08Å; D1244-R1248 PolarHBondContact OD2-NE 3.09Å; D1244-R1248 IonicContact OD2-NH2 4Å; D1244-R1248 PolarHBondContact OD2-NH2 3.38Å; D1244-K1250 IonicContact OD2-NZ 2.7Å; D1244-K1250 PolarHBondContact OD2-NZ 3.01Å
1245D83.7Confident81Confident106 Ų10651.5 Ų51.557%0.56725%0.247SC*.THydrogen-bonded Turntrans-55.1-19.7178.8-76.8-67.2000114.9R1405 K1433D1245-R1405 VanDerWaalsContact CG-NH2 3.29Å; D1245-R1405 IonicContact OD1-CZ 2.78Å; D1245-R1405 IonicContact OD1-NH1 3.07Å; D1245-R1405 PolarHBondContact OD1-NH1 3.3Å; D1245-R1405 IonicContact OD1-NH2 2.61Å; D1245-R1405 PolarHBondContact OD1-NH2 2.61Å; D1245-R1405 VanDerWaalsContact OD1-NH2 3.15Å; D1245-R1405 IonicContact OD2-CZ 3.01Å; D1245-R1405 IonicContact OD2-NH1 2.77Å; D1245-R1405 PolarHBondContact OD2-NH1 3.07Å; D1245-R1405 IonicContact OD2-NH2 2.74Å; D1245-R1405 PolarHBondContact OD2-NH2 2.83Å; D1245-K1433 PolarHBondContact O-NZ 3.47Å
1246S86.1Confident81.2Confident9 Ų950.8 Ų50.86%0.06323%0.234CC..THydrogen-bonded Turntrans-96.910.2174.2-57.60000113.2D1244 R1248 F1468 D1469D1244-S1246 PolarHBondContact O-N 2.89Å; D1244-S1246 WeakPolarHBondContact OD1-CA 3.47Å; D1244-S1246 WeakPolarHBondContact OD1-CB 3.41Å; D1244-S1246 PolarHBondContact OD1-N 2.86Å; S1246-R1248 VanDerWaalsContact OG-CZ 3.26Å; S1246-R1248 PolarHBondContact OG-NH1 3.06Å; S1246-R1248 PolarHBondContact OG-NH2 2.86Å; S1246-F1468 WeakPolarHBondContact O-CE1 3.37Å; S1246-D1469 WeakPolarHBondContact CB-OD1 3.11Å; S1246-D1469 PolarHBondContact OG-OD1 2.93Å
1247R89.8Confident81.1Confident17 Ų1750.1 Ų50.16%0.06423%0.231CC..SBendtrans65.136.7-173.9-62-162.366-169.23.3115E1243 D1244 M1472 T1476 Y1482E1243-R1247 IonicContact OE1-CZ 2.75Å; E1243-R1247 IonicContact OE1-NE 2.77Å; E1243-R1247 IonicContact OE1-NH2 3.58Å; E1243-R1247 PolarHBondContact OE1-NH2 3.27Å; E1243-R1247 WeakPolarHBondContact OE2-CA 3.27Å; E1243-R1247 WeakPolarHBondContact OE2-CB 3.07Å; E1243-R1247 WeakPolarHBondContact OE2-CG 3.28Å; E1243-R1247 IonicContact OE2-CZ 3.96Å; E1243-R1247 IonicContact OE2-NE 3.18Å; E1243-R1247 PolarHBondContact OE2-NE 3.14Å; E1243-R1247 IonicContact OE2-NH2 3.83Å; D1244-R1247 WeakPolarHBondContact O-CA 3.28Å; D1244-R1247 PolarHBondContact O-N 2.82Å; R1247-M1472 HydrophobicContact CB-CE 3.59Å; R1247-M1472 HydrophobicContact CG-CE 4.47Å; R1247-T1476 WeakPolarHBondContact CD-OG1 3.39Å; R1247-T1476 PolarHBondContact NH1-OG1 2.82Å; R1247-Y1482 WeakPolarHBondContact O-CE2 3.24Å; R1247-Y1482 PolarHBondContact O-OH 2.83Å
1248R88.8Confident80.3Confident38 Ų3845.8 Ų45.814%0.14322%0.221CC..  trans-104.8130.9179.9-58.3173.5-65.7-133.2-11.8111.9D1244 S1246 K1250 F1468 Y1594D1244-R1248 VanDerWaalsContact CG-NH2 3.33Å; D1244-R1248 PolarHBondContact N-O 2.85Å; D1244-R1248 WeakPolarHBondContact OD1-CB 3.45Å; D1244-R1248 IonicContact OD1-CZ 3.44Å; D1244-R1248 PolarHBondContact OD1-N 3.17Å; D1244-R1248 IonicContact OD1-NE 3.74Å; D1244-R1248 PolarHBondContact OD1-NE 3.44Å; D1244-R1248 VanDerWaalsContact OD1-NE 3.09Å; D1244-R1248 IonicContact OD1-NH2 2.7Å; D1244-R1248 PolarHBondContact OD1-NH2 3.11Å; D1244-R1248 IonicContact OD2-CZ 4Å; D1244-R1248 IonicContact OD2-NE 3.08Å; D1244-R1248 PolarHBondContact OD2-NE 3.09Å; D1244-R1248 IonicContact OD2-NH2 4Å; D1244-R1248 PolarHBondContact OD2-NH2 3.38Å; S1246-R1248 VanDerWaalsContact OG-CZ 3.26Å; S1246-R1248 PolarHBondContact OG-NH1 3.06Å; S1246-R1248 PolarHBondContact OG-NH2 2.86Å; R1248-K1250 HydrophobicContact CB-CD 4.48Å; R1248-K1250 HydrophobicContact CB-CG 4.14Å; R1248-K1250 VanDerWaalsContact CZ-NZ 3.33Å; R1248-K1250 VanDerWaalsContact NE-CE 3.34Å; R1248-F1468 HydrophobicContact CG-CD1 4.46Å; R1248-F1468 HydrophobicContact CG-CE1 3.42Å; R1248-F1468 VanDerWaalsContact CG-CE1 3.42Å; R1248-F1468 HydrophobicContact CG-CZ 3.54Å; R1248-Y1594 HydrophobicContact CB-CD1 4.12Å; R1248-Y1594 HydrophobicContact CB-CD2 4.04Å; R1248-Y1594 HydrophobicContact CB-CE1 3.89Å; R1248-Y1594 HydrophobicContact CB-CE2 3.78Å; R1248-Y1594 HydrophobicContact CB-CG 4.19Å; R1248-Y1594 HydrophobicContact CG-CD1 3.71Å; R1248-Y1594 HydrophobicContact CG-CD2 4.44Å; R1248-Y1594 HydrophobicContact CG-CE1 3.71Å; R1248-Y1594 HydrophobicContact CG-CE2 4.43Å; R1248-Y1594 HydrophobicContact CG-CG 4.09Å
1249R85.6Confident79.6Confident10 Ų1047.4 Ų47.44%0.03823%0.233CC..  trans-98.982176.4-63.6-174.8-73.6168.8-5109.5L1239 D1240 E1243 Y1482 Y1488 Y1594L1239-R1249 HydrophobicContact CD1-CB 4.4Å; L1239-R1249 WeakPolarHBondContact CD1-O 3.41Å; L1239-R1249 HydrophobicContact CD2-CB 4.16Å; L1239-R1249 HydrophobicContact CG-CB 4.23Å; D1240-R1249 WeakPolarHBondContact O-CD 3.41Å; E1243-R1249 HydrophobicContact CG-CG 3.95Å; R1249-Y1482 VanDerWaalsContact NH2-CD1 3.32Å; R1249-Y1488 PolarHBondContact NH2-OH 2.74Å; R1249-Y1594 PolarHBondContact N-OH 2.9Å; R1249-Y1594 WeakPolarHBondContact O-CE2 3.3Å
1250K69.1Low78.8Confident92 Ų9248.4 Ų48.440%0.424%0.24SC..  trans-89.21.3-168.2-78.7173.9-178.6155.90115.6D1244 R1248 Y1594D1244-K1250 IonicContact OD2-NZ 2.7Å; D1244-K1250 PolarHBondContact OD2-NZ 3.01Å; R1248-K1250 HydrophobicContact CB-CD 4.48Å; R1248-K1250 HydrophobicContact CB-CG 4.14Å; R1248-K1250 VanDerWaalsContact CZ-NZ 3.33Å; R1248-K1250 VanDerWaalsContact NE-CE 3.34Å; K1250-Y1594 HydrophobicContact CG-CD2 3.59Å; K1250-Y1594 HydrophobicContact CG-CE2 3.95Å
1251R73.8Confident78.4Confident163 Ų16349 Ų4962%0.61524%0.242SC*.  trans-117.6125.3-167.6-170.8177.6-174.1-172.13.2109.7D1240 I1253D1240-R1251 HydrophobicContact CB-CB 3.98Å; D1240-R1251 VanDerWaalsContact CB-O 3.22Å; D1240-R1251 WeakPolarHBondContact CB-O 3.35Å; D1240-R1251 PolarHBondContact N-O 3.22Å; D1240-R1251 WeakPolarHBondContact OD2-CD 3.39Å; R1251-I1253 HydrophobicContact CG-CG2 4.07Å
1252L78.7Confident77.7Confident32 Ų3250.4 Ų50.417%0.16826%0.255CS..EExtended strand (participates in β ladder)trans-86138.6157.7-63.1-179000108.7W1237 T1238 L1239 E1597 I1602W1237-L1252 HydrophobicContact CB-CB 4.34Å; W1237-L1252 HydrophobicContact CB-CD1 4.25Å; W1237-L1252 HydrophobicContact CE3-CB 4.08Å; T1238-L1252 WeakPolarHBondContact O-CA 3.36Å; L1239-L1252 HydrophobicContact CB-CD2 4.48Å; L1239-L1252 HydrophobicContact CD1-CD2 4.03Å; L1252-E1597 HydrophobicContact CD1-CB 3.92Å; L1252-E1597 HydrophobicContact CD1-CG 3.83Å; L1252-I1602 HydrophobicContact CD1-CD1 3.32Å
1253I77.3Confident77.1Confident52 Ų5253.8 Ų53.827%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-118.2152.1172.458.8176.2000109W1237 T1238 D1240 R1251 N1255W1237-I1253 WeakPolarHBondContact CA-O 3.45Å; T1238-I1253 HydrophobicContact CG2-CD1 4.25Å; T1238-I1253 HydrophobicContact CG2-CG1 3.66Å; T1238-I1253 PolarHBondContact N-O 3.24Å; T1238-I1253 PolarHBondContact O-N 3.46Å; D1240-I1253 HydrophobicContact CB-CG2 4.22Å; R1251-I1253 HydrophobicContact CG-CG2 4.07Å; I1253-N1255 PolarHBondContact O-N 2.91Å
1254P72.6Confident76.3Confident80 Ų8053.4 Ų53.452%0.51927%0.274SS..EExtended strand (participates in β ladder)trans-55.6130.5173.6-24.734.8000110.2W1237 P1256W1237-P1254 HydrophobicContact CE3-CG 4.49Å; W1237-P1254 HydrophobicContact CH2-CG 4.42Å; W1237-P1254 HydrophobicContact CZ3-CG 3.96Å; P1254-P1256 VanDerWaalsContact O-CD 3.28Å; P1254-P1256 WeakPolarHBondContact O-CD 3.33Å
1255N75.9Confident75.4Confident3 Ų353.6 Ų53.62%0.01628%0.276CS..  trans-90.6109-176.5-173.1-3.3000111Y1236 T1238 I1253 Y1257 G1258 Y1370 E1547Y1236-N1255 PolarHBondContact O-N 2.88Å; T1238-N1255 HydrophobicContact CG2-CB 3.74Å; I1253-N1255 PolarHBondContact O-N 2.91Å; N1255-Y1257 PolarHBondContact O-N 2.95Å; N1255-Y1257 VanDerWaalsContact O-N 3.17Å; N1255-Y1257 PolarHBondContact OD1-N 3.19Å; N1255-G1258 VanDerWaalsContact CG-N 3.32Å; N1255-G1258 VanDerWaalsContact ND2-CA 3.33Å; N1255-G1258 WeakPolarHBondContact ND2-CA 3.38Å; N1255-G1258 PolarHBondContact ND2-N 3.36Å; N1255-G1258 PolarHBondContact O-N 3.36Å; N1255-G1258 PolarHBondContact OD1-N 2.98Å; N1255-Y1370 PolarHBondContact ND2-OH 3.17Å; N1255-E1547 WeakPolarHBondContact ND2-CB 3.43Å; N1255-E1547 WeakPolarHBondContact ND2-CG 3.31Å
1256P66.3Low74.5Confident28 Ų2850.4 Ų50.418%0.18226%0.259CS..THydrogen-bonded Turntrans-72.8-3.4179.433.4-37.6000113.6N1228 I1229 P1254N1228-P1256 HydrophobicContact CB-CB 3.8Å; N1228-P1256 WeakPolarHBondContact CB-O 3.3Å; N1228-P1256 PolarHBondContact ND2-O 3.38Å; I1229-P1256 HydrophobicContact CG1-CB 4.37Å; P1254-P1256 VanDerWaalsContact O-CD 3.28Å; P1254-P1256 WeakPolarHBondContact O-CD 3.33Å
1257Y72.8Confident73.1Confident62 Ų6257 Ų5724%0.24329%0.286CS..THydrogen-bonded Turntrans-118.40.4177-46.4-63.3000112.6N1228 N1255 R1369 Y1370N1228-Y1257 WeakPolarHBondContact ND2-CD1 3.23Å; N1228-Y1257 WeakPolarHBondContact ND2-CE1 3.49Å; N1255-Y1257 PolarHBondContact O-N 2.95Å; N1255-Y1257 VanDerWaalsContact O-N 3.17Å; N1255-Y1257 PolarHBondContact OD1-N 3.19Å; Y1257-R1369 HydrophobicContact CD2-CB 4.47Å; Y1257-Y1370 HydrophobicContact CD2-CD1 4.31Å; Y1257-Y1370 HydrophobicContact CD2-CE1 4.07Å
1258G65Low71.3Confident18 Ų1860.6 Ų60.619%0.18632%0.32CS..  trans-68.4144.1-167.800000113.9Y1236 N1255Y1236-G1258 WeakPolarHBondContact CD2-O 3.11Å; N1255-G1258 VanDerWaalsContact CG-N 3.32Å; N1255-G1258 VanDerWaalsContact ND2-CA 3.33Å; N1255-G1258 WeakPolarHBondContact ND2-CA 3.38Å; N1255-G1258 PolarHBondContact ND2-N 3.36Å; N1255-G1258 PolarHBondContact O-N 3.36Å; N1255-G1258 PolarHBondContact OD1-N 2.98Å
1259S71.3Confident69.4Low44 Ų4466.6 Ų66.631%0.30835%0.353SS..  trans-145.6155.3175173.50000108H1261 Y1605S1259-H1261 PolarHBondContact O-CD2 3.29Å; S1259-H1261 PolarHBondContact O-N 3.41Å; S1259-H1261 PolarHBondContact OG-N 2.84Å; S1259-H1261 VanDerWaalsContact OG-N 3.14Å; S1259-Y1605 WeakPolarHBondContact O-CE1 3.02Å
1260S69.2Low67.7Low30 Ų3068.7 Ų68.721%0.2136%0.363CS..  trans-768.2168.653.80000113.5
1261H75.6Confident66.7Low39 Ų3966.4 Ų66.418%0.18136%0.357CS..  trans44.455.2-178.9-65-75.2000113.1S1259 E1263 A1264 E1547 T1551 L1554 Y1605S1259-H1261 PolarHBondContact O-CD2 3.29Å; S1259-H1261 PolarHBondContact O-N 3.41Å; S1259-H1261 PolarHBondContact OG-N 2.84Å; S1259-H1261 VanDerWaalsContact OG-N 3.14Å; H1261-E1263 PolarHBondContact O-N 3.23Å; H1261-E1263 VanDerWaalsContact O-N 3.12Å; H1261-A1264 HydrophobicContact CB-CB 3.97Å; H1261-A1264 WeakPolarHBondContact O-CB 3.25Å; H1261-A1264 PolarHBondContact O-N 3.49Å; H1261-E1547 IonicContact CD2-OE1 3.22Å; H1261-E1547 IonicContact CE1-OE1 2.99Å; H1261-E1547 IonicContact NE2-OE1 2.71Å; H1261-E1547 PolarHBondContact NE2-OE1 3.09Å; H1261-T1551 PolarHBondContact NE2-OG1 2.76Å; H1261-L1554 HydrophobicContact CB-CD1 3.93Å; H1261-Y1605 AromaticContact CD2-CE1 3.97Å
1262P69.5Low65.4Low89 Ų8966.6 Ų66.658%0.57837%0.365SS*.G310 helixtrans-63.8-22.4-170.926.9-36.2000114
1263E72.5Confident63.9Low182 Ų18272 Ų7285%0.8539%0.39SS*.G310 helixtrans-81.5-15.3177.1-61-175-169.100113.2H1261 T1265H1261-E1263 PolarHBondContact O-N 3.23Å; H1261-E1263 VanDerWaalsContact O-N 3.12Å; E1263-T1265 VanDerWaalsContact C-N 3.34Å; E1263-T1265 PolarHBondContact O-N 3.21Å
1264A71.4Confident62.4Low5 Ų571.7 Ų71.74%0.04140%0.395CS..G310 helixtrans-82.9-4.5-175.300000114.4H1261 L1266 L1554 G1559 K1560 F1561H1261-A1264 HydrophobicContact CB-CB 3.97Å; H1261-A1264 WeakPolarHBondContact O-CB 3.25Å; H1261-A1264 PolarHBondContact O-N 3.49Å; A1264-L1266 PolarHBondContact O-N 2.81Å; A1264-L1554 HydrophobicContact CB-CD1 3.77Å; A1264-L1554 HydrophobicContact CB-CD2 3.72Å; A1264-L1554 HydrophobicContact CB-CG 4.41Å; A1264-G1559 WeakPolarHBondContact CB-O 3.45Å; A1264-K1560 WeakPolarHBondContact O-CA 3.37Å; A1264-F1561 HydrophobicContact CB-CD2 3.94Å; A1264-F1561 HydrophobicContact CB-CE2 3.87Å; A1264-F1561 WeakPolarHBondContact O-CD2 3.48Å; A1264-F1561 PolarHBondContact O-N 3.04Å
1265T68.7Low61Low27 Ų2777.2 Ų77.217%0.16641%0.405CS..  trans-67.8113.2177.4-55.80000110.8E1263 K1267 N1606E1263-T1265 VanDerWaalsContact C-N 3.34Å; E1263-T1265 PolarHBondContact O-N 3.21Å; T1265-K1267 PolarHBondContact O-N 3.07Å; T1265-N1606 WeakPolarHBondContact OG1-CB 3.46Å; T1265-N1606 PolarHBondContact OG1-ND2 3.01Å; T1265-N1606 PolarHBondContact OG1-O 3.22Å
1266L63.6Low59.7Low39 Ų3982.7 Ų82.720%0.20443%0.434CS..  trans-60.5124.9174.8-161.188000110.5A1264 V1271 K1560A1264-L1266 PolarHBondContact O-N 2.81Å; L1266-V1271 HydrophobicContact CD2-CG2 4.16Å; L1266-K1560 HydrophobicContact CD1-CB 3.96Å; L1266-K1560 HydrophobicContact CD1-CD 3.94Å
1267K57.8Low58.7Low146 Ų14684.2 Ų84.264%0.63545%0.449SS*.  trans-90.7141174.3-66.9172.7-176.7168.10109.5T1265 I1269 E1270T1265-K1267 PolarHBondContact O-N 3.07Å; K1267-I1269 PolarHBondContact O-N 2.85Å; K1267-E1270 PolarHBondContact N-OE2 2.78Å; K1267-E1270 PolarHBondContact O-N 3.03Å
1268A51.9Low57.3Low94 Ų9484.6 Ų84.678%0.77746%0.455SS*.THydrogen-bonded Turntrans-58.4-17-171.800000115.8V1271A1268-V1271 WeakPolarHBondContact O-CG2 3.18Å
1269I49.1Very low56.3Low163 Ų16386.6 Ų86.684%0.83647%0.47SS*.THydrogen-bonded Turntrans-79.8-23.3178.3-61.4174.4000111.8K1267 V1271K1267-I1269 PolarHBondContact O-N 2.85Å; I1269-V1271 VanDerWaalsContact C-N 3.34Å; I1269-V1271 PolarHBondContact O-N 3.44Å
1270E48.8Very low55.1Low54 Ų5487.2 Ų87.225%0.25248%0.478SS..SBendtrans-91.89.9-170.8-56171.4130.700113.2K1267 A1274 K1560K1267-E1270 PolarHBondContact N-OE2 2.78Å; K1267-E1270 PolarHBondContact O-N 3.03Å; E1270-A1274 WeakPolarHBondContact O-CB 3.48Å; E1270-A1274 PolarHBondContact O-N 2.7Å; E1270-K1560 IonicContact OE1-NZ 2.79Å; E1270-K1560 PolarHBondContact OE1-NZ 2.76Å; E1270-K1560 IonicContact OE2-NZ 2.75Å; E1270-K1560 PolarHBondContact OE2-NZ 3.08Å
1271V48.4Very low53.9Low45 Ų4590.9 Ų90.927%0.27349%0.488SS..Hα-helixtrans-72.8-33.2-169.4178.30000113.1L1266 A1268 I1269L1266-V1271 HydrophobicContact CD2-CG2 4.16Å; A1268-V1271 WeakPolarHBondContact O-CG2 3.18Å; I1269-V1271 VanDerWaalsContact C-N 3.34Å; I1269-V1271 PolarHBondContact O-N 3.44Å
1272E46.7Very low52.2Low166 Ų16694 Ų9478%0.77651%0.505SS*.Hα-helixtrans-74.7-48.4176.3-67.2-165.9133.400111.5A1274 R1275 D1276E1272-A1274 VanDerWaalsContact C-N 3.3Å; E1272-A1274 PolarHBondContact O-N 3.37Å; E1272-R1275 WeakPolarHBondContact O-CB 3.31Å; E1272-R1275 PolarHBondContact O-N 3.3Å; E1272-D1276 PolarHBondContact O-N 3.32Å
1273E47.2Very low50.9Low147 Ų14793.8 Ų93.869%0.68751%0.506SS*.Hα-helixtrans-58.7-39.6179.7-63.1-176.8155.600112.6R1275 D1276 A1277E1273-R1275 VanDerWaalsContact C-N 3.26Å; E1273-R1275 PolarHBondContact O-N 3.36Å; E1273-D1276 PolarHBondContact O-N 2.99Å; E1273-A1277 VanDerWaalsContact O-CB 3.3Å; E1273-A1277 WeakPolarHBondContact O-CB 3.32Å; E1273-A1277 PolarHBondContact O-N 3.24Å
1274A46.6Very low49.1Very low45 Ų4588 Ų8837%0.37250%0.496SS..Hα-helixtrans-62.8-30.5177.400000113.2E1270 E1272 L1278E1270-A1274 WeakPolarHBondContact O-CB 3.48Å; E1270-A1274 PolarHBondContact O-N 2.7Å; E1272-A1274 VanDerWaalsContact C-N 3.3Å; E1272-A1274 PolarHBondContact O-N 3.37Å; A1274-L1278 WeakPolarHBondContact O-CB 3.49Å; A1274-L1278 PolarHBondContact O-N 2.79Å; A1274-L1278 VanDerWaalsContact O-N 3.1Å
1275R42.7Very low47.4Very low195 Ų19593.2 Ų93.274%0.73652%0.518SS*.Hα-helixtrans-72.1-44.6179.4-176.2178.4177.41480.7111.5E1272 E1273 L1278 A1279E1272-R1275 WeakPolarHBondContact O-CB 3.31Å; E1272-R1275 PolarHBondContact O-N 3.3Å; E1273-R1275 VanDerWaalsContact C-N 3.26Å; E1273-R1275 PolarHBondContact O-N 3.36Å; R1275-L1278 PolarHBondContact O-N 2.78Å; R1275-A1279 PolarHBondContact O-N 3.45Å; R1275-A1279 VanDerWaalsContact O-N 3.13Å
1276D47.9Very low45.5Very low118 Ų11899.3 Ų99.363%0.63155%0.549SS*.Hα-helixtrans-71.9-36.7178.8-72.8-12.6000111.3E1272 E1273 L1278 A1279 A1280E1272-D1276 PolarHBondContact O-N 3.32Å; E1273-D1276 PolarHBondContact O-N 2.99Å; D1276-L1278 PolarHBondContact O-N 3.48Å; D1276-A1279 PolarHBondContact O-N 3.4Å; D1276-A1280 WeakPolarHBondContact O-CB 3.41Å; D1276-A1280 PolarHBondContact O-N 2.84Å
1277A46.7Very low44Very low60 Ų60103.8 Ų103.850%0.49657%0.572SS.*Hα-helixtrans-59.9-42.1171.700000112.5E1273 A1280 Y1281E1273-A1277 VanDerWaalsContact O-CB 3.3Å; E1273-A1277 WeakPolarHBondContact O-CB 3.32Å; E1273-A1277 PolarHBondContact O-N 3.24Å; A1277-A1280 PolarHBondContact O-N 3.01Å; A1277-Y1281 VanDerWaalsContact O-CB 3.27Å; A1277-Y1281 WeakPolarHBondContact O-CB 3.45Å; A1277-Y1281 PolarHBondContact O-N 2.8Å
1278L42.6Very low42.4Very low70 Ų70100.8 Ų100.837%0.36658%0.575SS.*Hα-helixtrans-66.3-41.5176.4-17764.7000112A1274 R1275 D1276 Y1281 L1282A1274-L1278 WeakPolarHBondContact O-CB 3.49Å; A1274-L1278 PolarHBondContact O-N 2.79Å; A1274-L1278 VanDerWaalsContact O-N 3.1Å; R1275-L1278 PolarHBondContact O-N 2.78Å; D1276-L1278 PolarHBondContact O-N 3.48Å; L1278-Y1281 PolarHBondContact O-N 2.75Å; L1278-L1282 HydrophobicContact CD1-CD1 4.23Å; L1278-L1282 HydrophobicContact CD1-CG 4.32Å; L1278-L1282 HydrophobicContact CG-CD1 4.11Å; L1278-L1282 WeakPolarHBondContact O-CB 3.49Å; L1278-L1282 WeakPolarHBondContact O-CG 3.4Å; L1278-L1282 PolarHBondContact O-N 3.24Å
1279A45.1Very low41.2Very low61 Ų61101.4 Ų101.450%0.50456%0.564SS.*Hα-helixtrans-63.5-40.6176.100000112.1R1275 D1276 S1283R1275-A1279 PolarHBondContact O-N 3.45Å; R1275-A1279 VanDerWaalsContact O-N 3.13Å; D1276-A1279 PolarHBondContact O-N 3.4Å; A1279-S1283 PolarHBondContact O-N 3.24Å; A1279-S1283 PolarHBondContact O-OG 2.67Å
1280A45.9Very low40Very low57 Ų5798.7 Ų98.747%0.47156%0.557SS.*Hα-helixtrans-69.8-37.4174.900000113D1276 A1277 S1283 G1284D1276-A1280 WeakPolarHBondContact O-CB 3.41Å; D1276-A1280 PolarHBondContact O-N 2.84Å; A1277-A1280 PolarHBondContact O-N 3.01Å; A1280-S1283 PolarHBondContact O-N 3.08Å; A1280-S1283 PolarHBondContact O-OG 3.22Å; A1280-G1284 PolarHBondContact O-N 3.04Å
1281Y43.6Very low38.8Very low106 Ų106100.8 Ų100.842%0.41658%0.578SS.*Hα-helixtrans-68.3-39.6177.6-178.5-112.3000112.2A1277 L1278 S1283 G1284 K1285A1277-Y1281 VanDerWaalsContact O-CB 3.27Å; A1277-Y1281 WeakPolarHBondContact O-CB 3.45Å; A1277-Y1281 PolarHBondContact O-N 2.8Å; L1278-Y1281 PolarHBondContact O-N 2.75Å; Y1281-S1283 VanDerWaalsContact C-N 3.34Å; Y1281-G1284 PolarHBondContact O-N 2.76Å; Y1281-K1285 PolarHBondContact O-N 3.48Å; Y1281-K1285 PolarHBondContact OH-NZ 2.92Å; Y1281-K1285 VanDerWaalsContact OH-NZ 3.16Å
1282L40.1Very low37.7Very low104 Ų104106.2 Ų106.255%0.54560%0.604SS.*Hα-helixtrans-69.6-28.1175.5-70.8172.9000113L1278L1278-L1282 HydrophobicContact CD1-CD1 4.23Å; L1278-L1282 HydrophobicContact CD1-CG 4.32Å; L1278-L1282 HydrophobicContact CG-CD1 4.11Å; L1278-L1282 WeakPolarHBondContact O-CB 3.49Å; L1278-L1282 WeakPolarHBondContact O-CG 3.4Å; L1278-L1282 PolarHBondContact O-N 3.24Å
1283S41.5Very low36.6Very low85 Ų85102.7 Ų102.759%0.59459%0.594SS**Hα-helixtrans-81.8-33.2172.3720000113A1279 A1280 Y1281 K1285A1279-S1283 PolarHBondContact O-N 3.24Å; A1279-S1283 PolarHBondContact O-OG 2.67Å; A1280-S1283 PolarHBondContact O-N 3.08Å; A1280-S1283 PolarHBondContact O-OG 3.22Å; Y1281-S1283 VanDerWaalsContact C-N 3.34Å; S1283-K1285 VanDerWaalsContact C-N 3.28Å; S1283-K1285 CarbonylContact O-C 3.51Å; S1283-K1285 PolarHBondContact O-N 3.12Å
1284G35.7Very low35.6Very low62 Ų62102.3 Ų102.364%0.63960%0.604SS**Hα-helixtrans-64.9-27.7177.900000113.9A1280 Y1281 N1286A1280-G1284 PolarHBondContact O-N 3.04Å; Y1281-G1284 PolarHBondContact O-N 2.76Å; G1284-N1286 PolarHBondContact O-N 3.05Å
1285K35.5Very low34.8Very low114 Ų114104.5 Ų104.550%0.49662%0.617SS.*SBendtrans-82.2100161.4-75.8-176.3178.4171.30109Y1281 S1283 I1287Y1281-K1285 PolarHBondContact O-N 3.48Å; Y1281-K1285 PolarHBondContact OH-NZ 2.92Å; Y1281-K1285 VanDerWaalsContact OH-NZ 3.16Å; S1283-K1285 VanDerWaalsContact C-N 3.28Å; S1283-K1285 CarbonylContact O-C 3.51Å; S1283-K1285 PolarHBondContact O-N 3.12Å; K1285-I1287 HydrophobicContact CB-CG1 4.27Å; K1285-I1287 PolarHBondContact O-N 3.2Å
1286N28.9Very low34.2Very low155 Ų15599.7 Ų99.783%0.82961%0.614SS**  trans-59.772.8160.7-88.1-43.3000110.6G1284 A1288G1284-N1286 PolarHBondContact O-N 3.05Å; N1286-A1288 PolarHBondContact O-N 3.36Å
1287I32Very low33.6Very low132 Ų13299.8 Ų99.868%0.67763%0.63SS**  trans-73.175.5157.9-53.8178.2000104.9K1285 L1289K1285-I1287 HydrophobicContact CB-CG1 4.27Å; K1285-I1287 PolarHBondContact O-N 3.2Å; I1287-L1289 PolarHBondContact O-N 3.3Å
1288A24.8Very low33.3Very low84 Ų84101.6 Ų101.669%0.69464%0.639SS**  trans-65.285.7171.600000107.2N1286 P1290N1286-A1288 PolarHBondContact O-N 3.36Å; A1288-P1290 WeakPolarHBondContact O-CD 3.43Å; A1288-P1290 VanDerWaalsContact O-N 3.13Å
1289L25.5Very low33.7Very low106 Ų106102.5 Ų102.556%0.55565%0.645SS**  trans-60.8113.5174.8-153.583.9000106.5I1287 S1291I1287-L1289 PolarHBondContact O-N 3.3Å; L1289-S1291 PolarHBondContact O-N 3.19Å
1290P23.5Very low34.4Very low106 Ų106102.5 Ų102.569%0.68863%0.634SS**  trans-59.3138.4179.3-21.934.3000108.7A1288 L1292A1288-P1290 WeakPolarHBondContact O-CD 3.43Å; A1288-P1290 VanDerWaalsContact O-N 3.13Å; P1290-L1292 PolarHBondContact O-N 2.93Å
1291S23.5Very low35.3Very low98 Ų98100.2 Ų100.269%0.68561%0.614SS**  trans-44.2128.6177-178.70000110.6L1289 T1293L1289-S1291 PolarHBondContact O-N 3.19Å; S1291-T1293 PolarHBondContact O-N 3.41Å
1292L25.5Very low36.2Very low159 Ų15995.5 Ų95.583%0.83260%0.596SS**  trans-72.258.5178.3-75164.9000111.2P1290 P1294P1290-L1292 PolarHBondContact O-N 2.93Å; L1292-P1294 WeakPolarHBondContact O-CD 3.09Å
1293T23.9Very low37.5Very low93 Ų9393.7 Ų93.757%0.57159%0.59SS**  trans-81.9117.4164.749.10000108.4S1291 S1295S1291-T1293 PolarHBondContact O-N 3.41Å; T1293-S1295 PolarHBondContact O-N 2.95Å
1294P27.2Very low38.4Very low138 Ų13893.1 Ų93.190%0.89658%0.578SS**  trans-76.571.5179.832.6-35.5000110L1292L1292-P1294 WeakPolarHBondContact O-CD 3.09Å
1295S28.1Very low39.5Very low92 Ų9294.8 Ų94.864%0.64358%0.579SS**  trans-84.1128.4171.4530000110.2T1293T1293-S1295 PolarHBondContact O-N 2.95Å
1296S31.4Very low40.8Very low94 Ų9493.2 Ų93.266%0.65757%0.574SS**  trans57.492.6156.6-510000117.8S1298S1296-S1298 PolarHBondContact O-N 3.16Å
1297A34.5Very low42.2Very low119 Ų11986.6 Ų86.698%0.98354%0.539SS*.SBendtrans-75.156.6169.200000113
1298S40.4Very low43.3Very low98 Ų9886.3 Ų86.369%0.68554%0.539SS*.  trans-130.420.6-174.863.20000114.1S1296 E1300S1296-S1298 PolarHBondContact O-N 3.16Å; S1298-E1300 VanDerWaalsContact C-N 3.29Å; S1298-E1300 PolarHBondContact O-N 3.41Å
1299D51.7Low44.7Very low89 Ų8988.7 Ų88.748%0.47654%0.539SS..  trans-92.328.8-171.7-149.425.6000113.1Q1415D1299-Q1415 VanDerWaalsContact CG-NE2 3.26Å; D1299-Q1415 PolarHBondContact OD1-NE2 2.75Å; D1299-Q1415 PolarHBondContact OD2-NE2 3.03Å
1300E60.3Low46Very low61 Ų6185.8 Ų85.829%0.28552%0.521SS..  trans-88.5120.2176.1-60.8-162.1152.200110.4S1298 V1302 T1446 Q1449S1298-E1300 VanDerWaalsContact C-N 3.29Å; S1298-E1300 PolarHBondContact O-N 3.41Å; E1300-V1302 WeakPolarHBondContact CB-O 3.25Å; E1300-V1302 PolarHBondContact O-N 2.84Å; E1300-T1446 HydrophobicContact CB-CG2 4.44Å; E1300-T1446 HydrophobicContact CG-CG2 4.22Å; E1300-Q1449 PolarHBondContact OE2-NE2 3.1Å
1301L63.1Low47.4Very low9 Ų987.5 Ų87.55%0.04752%0.524CS..SBendtrans-61-24.3177.4-79155.1000113.5L1388 Q1415 K1419L1301-L1388 HydrophobicContact CD1-CD1 3.5Å; L1301-L1388 VanDerWaalsContact CD1-CD1 3.5Å; L1301-L1388 HydrophobicContact CD1-CD2 3.52Å; L1301-L1388 HydrophobicContact CD1-CG 4.15Å; L1301-Q1415 HydrophobicContact CD1-CG 4.49Å; L1301-Q1415 HydrophobicContact CD2-CB 3.79Å; L1301-Q1415 HydrophobicContact CD2-CG 3.94Å; L1301-Q1415 HydrophobicContact CG-CG 4.31Å; L1301-K1419 HydrophobicContact CD2-CD 3.77Å; L1301-K1419 VanDerWaalsContact CD2-CE 3.42Å; L1301-K1419 HydrophobicContact CD2-CG 3.86Å; L1301-K1419 WeakPolarHBondContact O-CE 3.27Å; L1301-K1419 PolarHBondContact O-NZ 2.88Å
1302V62.8Low48.6Very low7 Ų790.2 Ų90.24%0.04253%0.531CS..SBendtrans-139.6130-179.6-1790000106.9E1300 E1306 V1307 W1310 L1444 Q1449E1300-V1302 WeakPolarHBondContact CB-O 3.25Å; E1300-V1302 PolarHBondContact O-N 2.84Å; V1302-E1306 HydrophobicContact CG1-CB 4.27Å; V1302-V1307 HydrophobicContact CG1-CG2 3.95Å; V1302-W1310 HydrophobicContact CG1-CH2 4.11Å; V1302-W1310 HydrophobicContact CG1-CZ3 3.57Å; V1302-L1444 HydrophobicContact CG2-CB 3.84Å; V1302-Q1449 PolarHBondContact O-NE2 3.45Å
1303T67.3Low49.7Very low66 Ų6688.4 Ų88.441%0.40552%0.518SS..  trans-87.8157.6-173.665.60000113.3S1305 E1306 V1307T1303-S1305 VanDerWaalsContact C-N 3.3Å; T1303-S1305 PolarHBondContact O-N 3.49Å; T1303-E1306 PolarHBondContact N-OE2 3.19Å; T1303-E1306 VanDerWaalsContact O-CB 3.3Å; T1303-E1306 WeakPolarHBondContact O-CB 3.47Å; T1303-E1306 PolarHBondContact O-N 3.21Å; T1303-E1306 WeakPolarHBondContact OG1-CB 3.5Å; T1303-E1306 WeakPolarHBondContact OG1-CG 3.48Å; T1303-E1306 PolarHBondContact OG1-N 3.33Å; T1303-E1306 PolarHBondContact OG1-OE2 3.24Å; T1303-E1306 VanDerWaalsContact OG1-OE2 3.1Å; T1303-V1307 WeakPolarHBondContact O-CG2 3.42Å; T1303-V1307 PolarHBondContact O-N 3.03Å
1304E60.5Low51.1Low74 Ų7493.5 Ų93.535%0.34653%0.533SS..Hα-helixtrans-64.7-29.8178.2-69.4-143.9172.700113.9V1307 N1308 K1452E1304-V1307 PolarHBondContact O-N 3.21Å; E1304-N1308 PolarHBondContact O-N 2.84Å; E1304-N1308 PolarHBondContact O-ND2 2.94Å; E1304-K1452 IonicContact OE1-NZ 3.37Å; E1304-K1452 PolarHBondContact OE1-NZ 2.95Å; E1304-K1452 IonicContact OE2-NZ 2.75Å; E1304-K1452 PolarHBondContact OE2-NZ 2.89Å
1305S59.4Low52.2Low96 Ų9690.9 Ų90.967%0.67151%0.508SS*.Hα-helixtrans-65.9-43.4175.1-60.20000111.7T1303 N1308 L1309T1303-S1305 VanDerWaalsContact C-N 3.3Å; T1303-S1305 PolarHBondContact O-N 3.49Å; S1305-N1308 PolarHBondContact O-N 2.9Å; S1305-L1309 PolarHBondContact O-N 3.48Å
1306E62.1Low53.1Low81 Ų8192.1 Ų92.138%0.37951%0.512SS..Hα-helixtrans-56.8-52.4171.5-91.2175.5159.400111.3V1302 T1303 N1308 L1309 W1310V1302-E1306 HydrophobicContact CG1-CB 4.27Å; T1303-E1306 PolarHBondContact N-OE2 3.19Å; T1303-E1306 VanDerWaalsContact O-CB 3.3Å; T1303-E1306 WeakPolarHBondContact O-CB 3.47Å; T1303-E1306 PolarHBondContact O-N 3.21Å; T1303-E1306 WeakPolarHBondContact OG1-CB 3.5Å; T1303-E1306 WeakPolarHBondContact OG1-CG 3.48Å; T1303-E1306 PolarHBondContact OG1-N 3.33Å; T1303-E1306 PolarHBondContact OG1-OE2 3.24Å; T1303-E1306 VanDerWaalsContact OG1-OE2 3.1Å; E1306-N1308 VanDerWaalsContact C-N 3.28Å; E1306-N1308 PolarHBondContact O-N 3.35Å; E1306-L1309 PolarHBondContact O-N 3.3Å; E1306-L1309 VanDerWaalsContact O-N 3.11Å; E1306-W1310 VanDerWaalsContact C-CE3 3.44Å; E1306-W1310 HydrophobicContact CB-CE3 4.23Å; E1306-W1310 HydrophobicContact CB-CH2 3.34Å; E1306-W1310 HydrophobicContact CB-CZ2 3.84Å; E1306-W1310 HydrophobicContact CB-CZ3 3.55Å; E1306-W1310 HydrophobicContact CG-CH2 3.51Å; E1306-W1310 HydrophobicContact CG-CZ2 3.73Å; E1306-W1310 HydrophobicContact CG-CZ3 4.26Å
1307V58.4Low53.8Low17 Ų1796.8 Ų96.810%0.10352%0.524CS..Hα-helixtrans-53.8-40.4-179.6171.50000113.1V1302 T1303 E1304 M1445 Q1449 L1453V1302-V1307 HydrophobicContact CG1-CG2 3.95Å; T1303-V1307 WeakPolarHBondContact O-CG2 3.42Å; T1303-V1307 PolarHBondContact O-N 3.03Å; E1304-V1307 PolarHBondContact O-N 3.21Å; V1307-M1445 HydrophobicContact CG2-CE 4.44Å; V1307-Q1449 HydrophobicContact CG2-CG 4.26Å; V1307-L1453 HydrophobicContact CG1-CD1 3.89Å; V1307-L1453 HydrophobicContact CG1-CD2 4.35Å; V1307-L1453 HydrophobicContact CG1-CG 4.42Å
1308N56Low54.3Low125 Ų12599.2 Ų99.267%0.66852%0.515SS*.Hα-helixtrans-74.5-23.8-177.6-72.4-54.8000114.1E1304 S1305 E1306 W1310E1304-N1308 PolarHBondContact O-N 2.84Å; E1304-N1308 PolarHBondContact O-ND2 2.94Å; S1305-N1308 PolarHBondContact O-N 2.9Å; E1306-N1308 VanDerWaalsContact C-N 3.28Å; E1306-N1308 PolarHBondContact O-N 3.35Å; N1308-W1310 VanDerWaalsContact C-N 3.33Å; N1308-W1310 PolarHBondContact O-N 3.24Å
1309L54.4Low54.3Low134 Ų134101 Ų10170%0.70252%0.517SS*.Hα-helixtrans-78.7-13.1-176.7-12179.4000113.8S1305 E1306S1305-L1309 PolarHBondContact O-N 3.48Å; E1306-L1309 PolarHBondContact O-N 3.3Å; E1306-L1309 VanDerWaalsContact O-N 3.11Å
1310W52.5Low53.9Low46 Ų46105 Ų10517%0.17453%0.532CS..  trans-104.90.8-157.8-73.7-36000118.1V1302 E1306 N1308 D1312 E1313 K1441V1302-W1310 HydrophobicContact CG1-CH2 4.11Å; V1302-W1310 HydrophobicContact CG1-CZ3 3.57Å; E1306-W1310 VanDerWaalsContact C-CE3 3.44Å; E1306-W1310 HydrophobicContact CB-CE3 4.23Å; E1306-W1310 HydrophobicContact CB-CH2 3.34Å; E1306-W1310 HydrophobicContact CB-CZ2 3.84Å; E1306-W1310 HydrophobicContact CB-CZ3 3.55Å; E1306-W1310 HydrophobicContact CG-CH2 3.51Å; E1306-W1310 HydrophobicContact CG-CZ2 3.73Å; E1306-W1310 HydrophobicContact CG-CZ3 4.26Å; N1308-W1310 VanDerWaalsContact C-N 3.33Å; N1308-W1310 PolarHBondContact O-N 3.24Å; W1310-D1312 PolarHBondContact O-N 3.49Å; W1310-D1312 VanDerWaalsContact O-N 3.1Å; W1310-E1313 PolarHBondContact NE1-OE2 2.8Å; W1310-E1313 VanDerWaalsContact NE1-OE2 3.15Å; W1310-E1313 PolarHBondContact O-N 2.76Å; W1310-K1441 HydrophobicContact CD2-CD 3.77Å; W1310-K1441 HydrophobicContact CE3-CD 3.67Å; W1310-K1441 HydrophobicContact CE3-CG 4.48Å; W1310-K1441 HydrophobicContact CG-CD 4.42Å; W1310-K1441 HydrophobicContact CH2-CD 3.84Å; W1310-K1441 HydrophobicContact CH2-CG 4.3Å; W1310-K1441 HydrophobicContact CZ2-CD 4Å; W1310-K1441 VanDerWaalsContact CZ2-CE 3.48Å; W1310-K1441 HydrophobicContact CZ3-CB 4.33Å; W1310-K1441 HydrophobicContact CZ3-CD 3.68Å; W1310-K1441 HydrophobicContact CZ3-CG 4.11Å
1311N51.9Low53.1Low141 Ų141109.3 Ų109.375%0.75455%0.552SS**THydrogen-bonded Turntrans-63.1-15.6173.8-84-14.9000113.2
1312D50.3Low52.3Low156 Ų156111.9 Ų111.983%0.83458%0.575SS**THydrogen-bonded Turntrans-104.8-10-178.6-65.7-46.6000115W1310W1310-D1312 PolarHBondContact O-N 3.49Å; W1310-D1312 VanDerWaalsContact O-N 3.1Å
1313E47.4Very low52Low121 Ų121114 Ų11457%0.56559%0.59SS**  trans-89.2115.4-179.4-77.6-167.9160.300112.8W1310 K1441W1310-E1313 PolarHBondContact NE1-OE2 2.8Å; W1310-E1313 VanDerWaalsContact NE1-OE2 3.15Å; W1310-E1313 PolarHBondContact O-N 2.76Å; E1313-K1441 IonicContact OE2-NZ 3.63Å; E1313-K1441 PolarHBondContact OE2-NZ 3.29Å
1314K52.7Low52.1Low199 Ų199113.1 Ų113.187%0.86559%0.586SS**  trans-79.8119.7161.8-65.4-178.2-178.9178.80108.9T1316K1314-T1316 PolarHBondContact O-N 3.15Å
1315E50.2Low53.1Low83 Ų83111 Ų11139%0.38858%0.577SS.*  trans-56.6113.6167.1-85.3-174.8-163.700108.2R1440E1315-R1440 IonicContact OE2-NH1 3.89Å; E1315-R1440 PolarHBondContact OE2-NH1 3Å
1316T47.9Very low54.3Low118 Ų118108.9 Ų108.972%0.72456%0.557SS**  trans-64.5140.6166.125.90000108.8K1314 Q1318K1314-T1316 PolarHBondContact O-N 3.15Å; T1316-Q1318 PolarHBondContact O-N 3.45Å
1317E47.2Very low55.5Low192 Ų192105.9 Ų105.990%0.89755%0.545SS*.  trans-6779.9173.7-64.8-175.7159.700109.5N1319E1317-N1319 PolarHBondContact O-N 2.7Å
1318Q44Very low57Low171 Ų171109.4 Ų109.480%0.79957%0.568SS**  trans-59.7124.4169.5-73-170.7-16.100107.7T1316 Q1320T1316-Q1318 PolarHBondContact O-N 3.45Å; Q1318-Q1320 PolarHBondContact O-N 2.66Å
1319N40.4Very low58.8Low135 Ų135103.7 Ų103.772%0.72254%0.538SS*.  trans-41.7132.4-169.1-76.8-30.3000112.1E1317 H1321E1317-N1319 PolarHBondContact O-N 2.7Å; N1319-H1321 PolarHBondContact O-CD2 2.78Å; N1319-H1321 PolarHBondContact O-N 2.93Å
1320Q42.9Very low60.7Low173 Ų173100.1 Ų100.181%0.80852%0.517SS*.  trans-68.768.4172.5-62176.79.900110.1Q1318 A1322Q1318-Q1320 PolarHBondContact O-N 2.66Å; Q1320-A1322 PolarHBondContact O-N 2.9Å
1321H43.5Very low62.8Low151 Ų15198 Ų9870%0.69951%0.51SS*.  trans-52.5129.6157.7-71.8-83.2000106.9N1319 S1323N1319-H1321 PolarHBondContact O-CD2 2.78Å; N1319-H1321 PolarHBondContact O-N 2.93Å; H1321-S1323 PolarHBondContact O-N 3.18Å
1322A47.1Very low64.7Low64 Ų6491.5 Ų91.553%0.52948%0.475SS..  trans-75.545.3-173.900000112.4Q1320 C1324Q1320-A1322 PolarHBondContact O-N 2.9Å; A1322-C1324 PolarHBondContact O-N 2.99Å
1323S56.7Low66.6Low52 Ų5284.6 Ų84.636%0.36444%0.439SS..  trans-64.7106.1179.3510000110.4H1321 Q1424H1321-S1323 PolarHBondContact O-N 3.18Å; S1323-Q1424 PolarHBondContact O-OE1 2.78Å; S1323-Q1424 VanDerWaalsContact OG-CD 3.31Å; S1323-Q1424 PolarHBondContact OG-NE2 3.27Å; S1323-Q1424 PolarHBondContact OG-OE1 3.09Å
1324C69.6Low68.3Low47 Ų4780.1 Ų80.132%0.31842%0.421SS..  trans-73.2127.5164.5-174.10000108.9A1322 V1344A1322-C1324 PolarHBondContact O-N 2.99Å; C1324-V1344 CarbonylContact C-O 3.57Å; C1324-V1344 WeakPolarHBondContact CA-O 3.32Å
1325L81.6Confident69.5Low29 Ų2972.5 Ų72.515%0.15240%0.399CS..EExtended strand (participates in β ladder)trans-106.7123.7172.3174.168.2000109.1S1343 V1344 Q1420 V1421 Q1424L1325-S1343 CarbonylContact O-C 3.58Å; L1325-S1343 WeakPolarHBondContact O-CA 3.42Å; L1325-V1344 HydrophobicContact CB-CB 4.42Å; L1325-V1344 PolarHBondContact N-O 2.87Å; L1325-V1344 PolarHBondContact O-N 3.27Å; L1325-Q1420 HydrophobicContact CD2-CB 4.26Å; L1325-V1421 HydrophobicContact CD2-CB 4.34Å; L1325-V1421 HydrophobicContact CD2-CG2 3.74Å; L1325-Q1424 HydrophobicContact CB-CG 3.93Å; L1325-Q1424 HydrophobicContact CD2-CB 4.48Å; L1325-Q1424 HydrophobicContact CD2-CG 3.94Å
1326I83.4Confident71.3Confident51 Ų5169.5 Ų69.526%0.26239%0.385SS..EExtended strand (participates in β ladder)trans-113.1127171-56.9-171000107.8T1203 L1206 L1207 I1341 L1342T1203-I1326 HydrophobicContact CG2-CD1 3.65Å; T1203-I1326 HydrophobicContact CG2-CG1 4.34Å; L1206-I1326 HydrophobicContact CD2-CD1 4.13Å; L1207-I1326 HydrophobicContact CD1-CD1 4.27Å; L1207-I1326 HydrophobicContact CD2-CD1 3.74Å; L1207-I1326 HydrophobicContact CD2-CG1 4.39Å; L1207-I1326 HydrophobicContact CG-CD1 3.84Å; I1326-I1341 HydrophobicContact CG2-CG2 3.3Å; I1326-L1342 WeakPolarHBondContact CA-O 3.27Å
1327T87.1Confident73.2Confident18 Ų1865.2 Ų65.211%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-145.3138.6179.7-169.30000112L1342 F1412 V1421T1327-L1342 HydrophobicContact CG2-CB 4.15Å; T1327-L1342 HydrophobicContact CG2-CD2 4.48Å; T1327-L1342 PolarHBondContact N-O 3.43Å; T1327-L1342 PolarHBondContact O-N 2.93Å; T1327-F1412 HydrophobicContact CG2-CD1 4.12Å; T1327-F1412 HydrophobicContact CG2-CE1 3.88Å; T1327-V1421 HydrophobicContact CG2-CG2 3.73Å
1328P90.8Very high75.3Confident92 Ų9256.2 Ų56.260%0.59732%0.32SS*.EExtended strand (participates in β ladder)trans-70.4137.2174.329.8-34.5000111
1329C94.2Very high77.6Confident5 Ų548.6 Ų48.63%0.03429%0.285CS..EExtended strand (participates in β ladder)trans-152.7170.1176.473.10000111.3G1340 F1351 A1411 F1412C1329-G1340 PolarHBondContact N-O 2.6Å; C1329-G1340 VanDerWaalsContact N-O 3.09Å; C1329-G1340 CarbonylContact O-C 3.52Å; C1329-G1340 PolarHBondContact O-N 2.94Å; C1329-G1340 VanDerWaalsContact O-O 3.08Å; C1329-F1351 VanDerWaalsContact SG-CE2 3.56Å; C1329-A1411 CarbonylContact C-O 3.57Å; C1329-A1411 WeakPolarHBondContact CA-O 3.45Å; C1329-A1411 VanDerWaalsContact CB-O 3.29Å; C1329-A1411 WeakPolarHBondContact CB-O 3.37Å; C1329-F1412 HydrophobicContact CB-CD1 3.62Å; C1329-F1412 HydrophobicContact CB-CE1 3.68Å; C1329-F1412 HydrophobicContact CB-CG 4.34Å; C1329-F1412 HydrophobicContact CB-CZ 4.44Å
1330H94.3Very high80Confident58 Ų5842.3 Ų42.327%0.26925%0.253SS..EExtended strand (participates in β ladder)trans-104.5127.6169.4-72.874.2000109.8I1332 L1338 E1359 F1410 A1411H1330-I1332 HydrophobicContact CB-CD1 4.14Å; H1330-I1332 PolarHBondContact O-N 2.71Å; H1330-L1338 CarbonylContact C-O 3.16Å; H1330-L1338 VanDerWaalsContact CA-O 3.3Å; H1330-L1338 WeakPolarHBondContact CA-O 3.45Å; H1330-E1359 IonicContact CD2-OE2 2.88Å; H1330-E1359 IonicContact CE1-OE2 3.64Å; H1330-E1359 IonicContact NE2-OE1 3.44Å; H1330-E1359 IonicContact NE2-OE2 3.01Å; H1330-E1359 PolarHBondContact NE2-OE2 3.14Å; H1330-F1410 CarbonylContact O-C 3.1Å; H1330-F1410 WeakPolarHBondContact O-CA 3.16Å; H1330-A1411 HydrophobicContact CB-CB 4.5Å; H1330-A1411 PolarHBondContact N-O 2.93Å; H1330-A1411 PolarHBondContact O-N 2.96Å
1331L95Very high82.2Confident3 Ų336.2 Ų36.22%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-71.7123.3164172.469.6000108.3A1337 L1338 F1351 H1373 L1374 V1408 F1410L1331-A1337 WeakPolarHBondContact O-CA 3.33Å; L1331-L1338 PolarHBondContact N-O 2.95Å; L1331-L1338 PolarHBondContact O-N 2.91Å; L1331-F1351 HydrophobicContact CB-CD1 4.18Å; L1331-F1351 HydrophobicContact CB-CE1 3.49Å; L1331-F1351 VanDerWaalsContact CB-CE1 3.49Å; L1331-F1351 HydrophobicContact CB-CE2 4.07Å; L1331-F1351 HydrophobicContact CB-CZ 3.42Å; L1331-F1351 VanDerWaalsContact CB-CZ 3.42Å; L1331-F1351 HydrophobicContact CD2-CD1 4.22Å; L1331-F1351 HydrophobicContact CD2-CE1 3.85Å; L1331-F1351 HydrophobicContact CG-CE1 4.26Å; L1331-H1373 HydrophobicContact CD1-CB 4.25Å; L1331-H1373 HydrophobicContact CD2-CB 4.1Å; L1331-L1374 HydrophobicContact CD2-CD2 4.06Å; L1331-V1408 HydrophobicContact CD1-CG2 3.54Å; L1331-F1410 HydrophobicContact CB-CD1 4.37Å; L1331-F1410 HydrophobicContact CB-CE1 4.29Å; L1331-F1410 HydrophobicContact CD1-CD1 4.19Å; L1331-F1410 HydrophobicContact CD1-CE1 3.73Å; L1331-F1410 HydrophobicContact CD1-CZ 4.41Å
1332I92.4Very high84.5Confident4 Ų429.2 Ų29.22%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-98.6121.5175.7-52.3-53.8000107.9H1330 A1337 Y1391 M1409 A1411 D1484H1330-I1332 HydrophobicContact CB-CD1 4.14Å; H1330-I1332 PolarHBondContact O-N 2.71Å; I1332-A1337 HydrophobicContact CD1-CB 3.77Å; I1332-Y1391 HydrophobicContact CD1-CD2 4.24Å; I1332-Y1391 HydrophobicContact CD1-CE1 4.27Å; I1332-Y1391 HydrophobicContact CD1-CE2 3.68Å; I1332-Y1391 HydrophobicContact CG1-CD2 4.44Å; I1332-Y1391 HydrophobicContact CG1-CE2 4.31Å; I1332-M1409 HydrophobicContact CB-CB 4.17Å; I1332-M1409 HydrophobicContact CB-CG 3.98Å; I1332-M1409 HydrophobicContact CB-SD 4.17Å; I1332-M1409 HydrophobicContact CG1-CE 4.43Å; I1332-M1409 HydrophobicContact CG1-CG 4.34Å; I1332-M1409 HydrophobicContact CG2-CE 4.38Å; I1332-M1409 HydrophobicContact CG2-SD 4.07Å; I1332-M1409 PolarHBondContact N-O 3.12Å; I1332-A1411 HydrophobicContact CD1-CB 3.87Å; I1332-A1411 HydrophobicContact CG1-CB 3.84Å; I1332-D1484 HydrophobicContact CG2-CB 4.16Å
1333A90.1Very high86.4Confident10 Ų1026.5 Ų26.58%0.08317%0.17CC..EExtended strand (participates in β ladder)trans-140.1165178.200000109.2G1335 L1336 N1483A1333-G1335 PolarHBondContact O-N 3.25Å; A1333-L1336 HydrophobicContact CB-CB 4.28Å; A1333-L1336 PolarHBondContact N-O 3.29Å; A1333-L1336 PolarHBondContact O-N 3.12Å; A1333-N1483 CarbonylContact C-O 3.53Å; A1333-N1483 WeakPolarHBondContact CA-O 3.37Å
1334P84.2Confident87.9Confident27 Ų2724 Ų2418%0.17515%0.153CC..THydrogen-bonded Turntrans-52.3117.8-177.8-30.337.6000112.2L1336 L1485 L1552P1334-L1336 VanDerWaalsContact C-N 3.26Å; P1334-L1336 PolarHBondContact O-N 3.08Å; P1334-L1485 HydrophobicContact CB-CD1 4.29Å; P1334-L1485 HydrophobicContact CB-CD2 4.17Å; P1334-L1485 HydrophobicContact CB-CG 4.2Å; P1334-L1552 HydrophobicContact CB-CD1 3.58Å; P1334-L1552 HydrophobicContact CB-CD2 4.38Å; P1334-L1552 WeakPolarHBondContact O-CD2 3.25Å
1335G77.7Confident88.3Confident40 Ų4023.7 Ų23.741%0.41215%0.149SC..THydrogen-bonded Turntrans72.17.3-178.600000116A1333 L1485A1333-G1335 PolarHBondContact O-N 3.25Å; G1335-L1485 VanDerWaalsContact N-CD1 3.34Å
1336L86.5Confident87.9Confident20 Ų2023.9 Ų23.911%0.10516%0.155CC..EExtended strand (participates in β ladder)trans-137.2136.8-170.9-69.2171.4000112.6A1333 P1334 L1338 A1363 V1367 V1368 C1371A1333-L1336 HydrophobicContact CB-CB 4.28Å; A1333-L1336 PolarHBondContact N-O 3.29Å; A1333-L1336 PolarHBondContact O-N 3.12Å; P1334-L1336 VanDerWaalsContact C-N 3.26Å; P1334-L1336 PolarHBondContact O-N 3.08Å; L1336-L1338 HydrophobicContact CB-CD1 4.22Å; L1336-L1338 HydrophobicContact CB-CG 4.24Å; L1336-L1338 HydrophobicContact CD1-CD1 3.99Å; L1336-L1338 HydrophobicContact CD2-CD1 4.21Å; L1336-L1338 HydrophobicContact CD2-CD2 4.4Å; L1336-L1338 HydrophobicContact CD2-CG 4.39Å; L1336-L1338 HydrophobicContact CG-CD1 4.38Å; L1336-A1363 HydrophobicContact CD2-CB 3.9Å; L1336-V1367 HydrophobicContact CD1-CG1 3.84Å; L1336-V1367 HydrophobicContact CD2-CG1 3.84Å; L1336-V1367 HydrophobicContact CG-CG1 3.64Å; L1336-V1368 HydrophobicContact CD1-CG2 4.46Å; L1336-V1368 HydrophobicContact CD2-CG2 4.12Å; L1336-C1371 HydrophobicContact CD1-CB 3.9Å
1337A88.8Confident87.5Confident28 Ų2824.4 Ų24.423%0.23116%0.158CC..EExtended strand (participates in β ladder)trans-128.2112.5160.200000106.8L1331 I1332 Y1391L1331-A1337 WeakPolarHBondContact O-CA 3.33Å; I1332-A1337 HydrophobicContact CD1-CB 3.77Å; A1337-Y1391 WeakPolarHBondContact CB-OH 3.37Å
1338L91.6Very high87.3Confident2 Ų226.7 Ų26.71%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-121.8125.4-168.6-67.8172.4000111.2H1330 L1331 L1336 F1360 A1363 L1374H1330-L1338 CarbonylContact C-O 3.16Å; H1330-L1338 VanDerWaalsContact CA-O 3.3Å; H1330-L1338 WeakPolarHBondContact CA-O 3.45Å; L1331-L1338 PolarHBondContact N-O 2.95Å; L1331-L1338 PolarHBondContact O-N 2.91Å; L1336-L1338 HydrophobicContact CB-CD1 4.22Å; L1336-L1338 HydrophobicContact CB-CG 4.24Å; L1336-L1338 HydrophobicContact CD1-CD1 3.99Å; L1336-L1338 HydrophobicContact CD2-CD1 4.21Å; L1336-L1338 HydrophobicContact CD2-CD2 4.4Å; L1336-L1338 HydrophobicContact CD2-CG 4.39Å; L1336-L1338 HydrophobicContact CG-CD1 4.38Å; L1338-F1360 HydrophobicContact CB-CD2 4.33Å; L1338-F1360 HydrophobicContact CD1-CD2 4.31Å; L1338-F1360 HydrophobicContact CD1-CE2 4.11Å; L1338-F1360 HydrophobicContact CD2-CB 4.49Å; L1338-F1360 HydrophobicContact CD2-CD2 3.83Å; L1338-F1360 HydrophobicContact CD2-CE2 4.4Å; L1338-F1360 HydrophobicContact CD2-CG 4.3Å; L1338-F1360 HydrophobicContact CG-CD2 4.39Å; L1338-A1363 HydrophobicContact CD2-CB 3.86Å; L1338-L1374 HydrophobicContact CD1-CD2 3.27Å
1339P92Very high87.3Confident11 Ų1122.4 Ų22.47%0.07114%0.14CC..EExtended strand (participates in β ladder)trans-69.6143.5-175.530.3-37000111K1354 E1357 E1359P1339-K1354 PolarHBondContact O-N 3.43Å; P1339-E1357 HydrophobicContact CG-CB 3.86Å; P1339-E1357 HydrophobicContact CG-CG 4.12Å; P1339-E1359 HydrophobicContact CG-CB 4.12Å; P1339-E1359 HydrophobicContact CG-CG 4.45Å
1340G89.9Confident86.9Confident4 Ų422.3 Ų22.34%0.04114%0.14CC..EExtended strand (participates in β ladder)trans-166.2-167178.100000113.1C1329 D1352C1329-G1340 PolarHBondContact N-O 2.6Å; C1329-G1340 VanDerWaalsContact N-O 3.09Å; C1329-G1340 CarbonylContact O-C 3.52Å; C1329-G1340 PolarHBondContact O-N 2.94Å; C1329-G1340 VanDerWaalsContact O-O 3.08Å; G1340-D1352 CarbonylContact C-O 3.53Å; G1340-D1352 WeakPolarHBondContact CA-O 3.25Å
1341I89.6Confident86.8Confident45 Ų4519.6 Ų19.623%0.23113%0.127CC..EExtended strand (participates in β ladder)trans-125.6124.1179.5-59.4178.6000108.1I1326 F1351 D1352I1326-I1341 HydrophobicContact CG2-CG2 3.3Å; I1341-F1351 WeakPolarHBondContact O-CA 3.37Å; I1341-D1352 PolarHBondContact N-O 2.76Å; I1341-D1352 PolarHBondContact O-N 2.91Å
1342L91.4Very high86.4Confident3 Ų320.3 Ų20.32%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-90.1125.4169.1-170.474.4000109I1326 T1327 V1344 V1349 A1350 F1351 F1410 F1412 V1421I1326-L1342 WeakPolarHBondContact CA-O 3.27Å; T1327-L1342 HydrophobicContact CG2-CB 4.15Å; T1327-L1342 HydrophobicContact CG2-CD2 4.48Å; T1327-L1342 PolarHBondContact N-O 3.43Å; T1327-L1342 PolarHBondContact O-N 2.93Å; L1342-V1344 HydrophobicContact CD2-CG2 4.07Å; L1342-V1344 HydrophobicContact CG-CG2 4.14Å; L1342-V1349 HydrophobicContact CD1-CG1 3.75Å; L1342-A1350 WeakPolarHBondContact CA-O 3.5Å; L1342-F1351 HydrophobicContact CD1-CB 4.27Å; L1342-F1410 HydrophobicContact CD1-CD2 4.07Å; L1342-F1410 HydrophobicContact CD1-CE1 4.27Å; L1342-F1410 HydrophobicContact CD1-CE2 3.77Å; L1342-F1410 HydrophobicContact CD1-CG 4.44Å; L1342-F1410 HydrophobicContact CD1-CZ 3.88Å; L1342-F1412 HydrophobicContact CD2-CE1 3.78Å; L1342-F1412 HydrophobicContact CD2-CZ 3.79Å; L1342-V1421 HydrophobicContact CD2-CG1 3.93Å; L1342-V1421 HydrophobicContact CD2-CG2 4.19Å
1343S88.2Confident86.1Confident7 Ų720.4 Ų20.45%0.04913%0.132CC..EExtended strand (participates in β ladder)trans-114.5118.6172.8-57.40000109.1L1325 A1350L1325-S1343 CarbonylContact O-C 3.58Å; L1325-S1343 WeakPolarHBondContact O-CA 3.42Å; S1343-A1350 PolarHBondContact N-O 2.89Å; S1343-A1350 PolarHBondContact O-N 2.85Å
1344V86.5Confident85.9Confident1 Ų123.8 Ų23.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-111.9126.9177.4-176.90000109C1324 L1325 L1342 V1349 Q1424 L1425C1324-V1344 CarbonylContact C-O 3.57Å; C1324-V1344 WeakPolarHBondContact CA-O 3.32Å; L1325-V1344 HydrophobicContact CB-CB 4.42Å; L1325-V1344 PolarHBondContact N-O 2.87Å; L1325-V1344 PolarHBondContact O-N 3.27Å; L1342-V1344 HydrophobicContact CD2-CG2 4.07Å; L1342-V1344 HydrophobicContact CG-CG2 4.14Å; V1344-V1349 HydrophobicContact CG1-CG2 4.26Å; V1344-V1349 HydrophobicContact CG2-CG1 4.38Å; V1344-V1349 HydrophobicContact CG2-CG2 4.42Å; V1344-Q1424 HydrophobicContact CB-CB 4.33Å; V1344-Q1424 HydrophobicContact CG1-CB 3.7Å; V1344-L1425 HydrophobicContact CG1-CD2 4.29Å
1345T78.8Confident85.8Confident40 Ų4025.6 Ų25.625%0.24515%0.151CC..  trans-121.5168.6170.7710000108.9N1347 E1348T1345-N1347 PolarHBondContact O-N 2.97Å; T1345-E1348 PolarHBondContact N-O 3.29Å; T1345-E1348 PolarHBondContact O-N 3.26Å; T1345-E1348 PolarHBondContact OG1-N 3.35Å; T1345-E1348 PolarHBondContact OG1-O 2.91Å
1346A72.8Confident85.9Confident32 Ų3229.7 Ų29.726%0.26416%0.164SC..SBendtrans-54.3-30.3179.400000114.7T1380A1346-T1380 PolarHBondContact O-OG1 2.89Å
1347N76.2Confident85.6Confident62 Ų6232.1 Ų32.133%0.33217%0.174SC..SBendtrans-114.2-15.4-177.9-72.936.3000114.7R527 T1345 H1379 T1380R527-N1347 VanDerWaalsContact NH2-CG 3.31Å; R527-N1347 PolarHBondContact NH2-OD1 3.17Å; T1345-N1347 PolarHBondContact O-N 2.97Å; N1347-H1379 CarbonylContact O-C 3.59Å; N1347-H1379 WeakPolarHBondContact O-CA 3.43Å; N1347-H1379 PolarHBondContact O-CD2 3.33Å; N1347-H1379 VanDerWaalsContact O-CG 3.32Å; N1347-T1380 WeakPolarHBondContact CA-OG1 3.44Å; N1347-T1380 PolarHBondContact O-N 2.87Å; N1347-T1380 PolarHBondContact O-OG1 2.94Å
1348E82.9Confident85.1Confident66 Ų6634.8 Ų34.831%0.30819%0.189SC..EExtended strand (participates in β ladder)trans-141135-171.6-173.2176.9-143.300111.2T1345 R1377 W1378T1345-E1348 PolarHBondContact N-O 3.29Å; T1345-E1348 PolarHBondContact O-N 3.26Å; T1345-E1348 PolarHBondContact OG1-N 3.35Å; T1345-E1348 PolarHBondContact OG1-O 2.91Å; E1348-R1377 WeakPolarHBondContact OE1-CD 3.34Å; E1348-R1377 IonicContact OE1-CZ 3.87Å; E1348-R1377 IonicContact OE1-NE 2.81Å; E1348-R1377 IonicContact OE1-NH1 3.59Å; E1348-R1377 PolarHBondContact OE1-NH1 3.01Å; E1348-R1377 VanDerWaalsContact OE1-NH1 3.16Å; E1348-W1378 WeakPolarHBondContact CA-O 3.38Å
1349V89.2Confident84.5Confident2 Ų238.3 Ų38.31%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-106.6127.4164.4179.80000107.1L1342 V1344 R1377 W1378 T1380 I1383 L1425L1342-V1349 HydrophobicContact CD1-CG1 3.75Å; V1344-V1349 HydrophobicContact CG1-CG2 4.26Å; V1344-V1349 HydrophobicContact CG2-CG1 4.38Å; V1344-V1349 HydrophobicContact CG2-CG2 4.42Å; V1349-R1377 WeakPolarHBondContact O-CA 3.16Å; V1349-W1378 HydrophobicContact CG1-CE3 4.27Å; V1349-W1378 PolarHBondContact N-O 3.42Å; V1349-W1378 PolarHBondContact O-N 3.29Å; V1349-T1380 HydrophobicContact CG2-CG2 4.13Å; V1349-I1383 HydrophobicContact CG2-CD1 4Å; V1349-L1425 HydrophobicContact CG2-CD2 3.56Å
1350A87.7Confident84.2Confident4 Ų439 Ų393%0.03321%0.208CC..EExtended strand (participates in β ladder)trans-128.9144.917700000110.5L1342 S1343 G1376 R1377L1342-A1350 WeakPolarHBondContact CA-O 3.5Å; S1343-A1350 PolarHBondContact N-O 2.89Å; S1343-A1350 PolarHBondContact O-N 2.85Å; A1350-G1376 WeakPolarHBondContact CA-O 3.36Å; A1350-R1377 HydrophobicContact CB-CG 4.09Å
1351F90.7Very high83.9Confident0 Ų045.2 Ų45.20%023%0.234CC..EExtended strand (participates in β ladder)trans-125.9132.8171.9172.7-94.6000109.8C1329 L1331 I1341 L1342 A1353 L1374 H1375 G1376 W1378 F1410C1329-F1351 VanDerWaalsContact SG-CE2 3.56Å; L1331-F1351 HydrophobicContact CB-CD1 4.18Å; L1331-F1351 HydrophobicContact CB-CE1 3.49Å; L1331-F1351 VanDerWaalsContact CB-CE1 3.49Å; L1331-F1351 HydrophobicContact CB-CE2 4.07Å; L1331-F1351 HydrophobicContact CB-CZ 3.42Å; L1331-F1351 VanDerWaalsContact CB-CZ 3.42Å; L1331-F1351 HydrophobicContact CD2-CD1 4.22Å; L1331-F1351 HydrophobicContact CD2-CE1 3.85Å; L1331-F1351 HydrophobicContact CG-CE1 4.26Å; I1341-F1351 WeakPolarHBondContact O-CA 3.37Å; L1342-F1351 HydrophobicContact CD1-CB 4.27Å; F1351-A1353 HydrophobicContact CE1-CB 3.94Å; F1351-A1353 HydrophobicContact CZ-CB 4.45Å; F1351-L1374 WeakPolarHBondContact CD1-O 3.34Å; F1351-H1375 CarbonylContact O-C 3.58Å; F1351-H1375 VanDerWaalsContact O-C 3.28Å; F1351-H1375 VanDerWaalsContact O-CA 3.23Å; F1351-H1375 WeakPolarHBondContact O-CA 3.4Å; F1351-G1376 PolarHBondContact N-O 2.85Å; F1351-G1376 PolarHBondContact O-N 2.98Å; F1351-W1378 HydrophobicContact CB-CH2 4.37Å; F1351-W1378 HydrophobicContact CB-CZ3 4.04Å; F1351-F1410 HydrophobicContact CB-CE1 3.66Å; F1351-F1410 HydrophobicContact CB-CZ 3.79Å; F1351-F1410 HydrophobicContact CD1-CE1 4.2Å; F1351-F1410 AromaticContact CD2-CD1 3.92Å; F1351-F1410 HydrophobicContact CD2-CD1 3.92Å; F1351-F1410 AromaticContact CD2-CE1 3.49Å; F1351-F1410 HydrophobicContact CD2-CE1 3.49Å; F1351-F1410 VanDerWaalsContact CD2-CE1 3.49Å; F1351-F1410 HydrophobicContact CD2-CZ 4.41Å; F1351-F1410 HydrophobicContact CE2-CD1 4.3Å; F1351-F1410 HydrophobicContact CE2-CE1 4.17Å; F1351-F1410 HydrophobicContact CG-CD1 4.38Å; F1351-F1410 AromaticContact CG-CE1 3.5Å; F1351-F1410 HydrophobicContact CG-CE1 3.5Å; F1351-F1410 HydrophobicContact CG-CZ 4.17Å
1352D86.5Confident83.5Confident18 Ų1852.1 Ų52.110%0.09626%0.257CS..EExtended strand (participates in β ladder)trans-118.3112.6175-63.4-61.4000110.1R1214 G1340 I1341 H1375R1214-D1352 WeakPolarHBondContact CG-OD1 3.47Å; R1214-D1352 IonicContact CZ-OD1 3.17Å; R1214-D1352 IonicContact CZ-OD2 2.65Å; R1214-D1352 IonicContact NE-OD1 2.79Å; R1214-D1352 PolarHBondContact NE-OD1 3.43Å; R1214-D1352 IonicContact NE-OD2 3.39Å; R1214-D1352 IonicContact NH2-OD1 2.74Å; R1214-D1352 PolarHBondContact NH2-OD1 3.39Å; R1214-D1352 IonicContact NH2-OD2 3.66Å; R1214-D1352 PolarHBondContact NH2-OD2 3.1Å; G1340-D1352 CarbonylContact C-O 3.53Å; G1340-D1352 WeakPolarHBondContact CA-O 3.25Å; I1341-D1352 PolarHBondContact N-O 2.76Å; I1341-D1352 PolarHBondContact O-N 2.91Å; D1352-H1375 IonicContact OD1-ND1 3.19Å
1353A87.4Confident83.1Confident7 Ų753 Ų536%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-66.3132.8170.800000110.2F1351 E1355 F1360 L1374 H1375F1351-A1353 HydrophobicContact CE1-CB 3.94Å; F1351-A1353 HydrophobicContact CZ-CB 4.45Å; A1353-E1355 PolarHBondContact O-N 3.47Å; A1353-F1360 HydrophobicContact CB-CD2 4.25Å; A1353-F1360 HydrophobicContact CB-CE2 3.93Å; A1353-L1374 HydrophobicContact CB-CB 4.19Å; A1353-L1374 HydrophobicContact CB-CD2 4.47Å; A1353-L1374 WeakPolarHBondContact CB-O 3.41Å; A1353-L1374 PolarHBondContact N-O 3.12Å; A1353-H1375 PolarHBondContact O-CE1 3.07Å; A1353-H1375 VanDerWaalsContact O-CE1 3.23Å
1354K84.6Confident82.8Confident81 Ų8155.2 Ų55.235%0.35228%0.276SS..  trans-82.383172.7-70.1179.3168.2-172.90109.8P1339 D1356 E1357P1339-K1354 PolarHBondContact O-N 3.43Å; K1354-D1356 PolarHBondContact O-N 2.87Å; K1354-E1357 HydrophobicContact CB-CB 4.33Å; K1354-E1357 HydrophobicContact CB-CG 3.45Å; K1354-E1357 VanDerWaalsContact CB-CG 3.45Å; K1354-E1357 HydrophobicContact CD-CG 3.6Å; K1354-E1357 WeakPolarHBondContact CD-OE1 3.36Å; K1354-E1357 HydrophobicContact CG-CG 4.25Å; K1354-E1357 IonicContact NZ-OE1 2.78Å; K1354-E1357 PolarHBondContact NZ-OE1 2.79Å; K1354-E1357 WeakPolarHBondContact O-CB 3.45Å; K1354-E1357 PolarHBondContact O-N 3.17Å
1355E82.4Confident82.5Confident64 Ų6459.6 Ų59.630%0.29931%0.305SS..THydrogen-bonded Turntrans-60.5-19.6-178.7-52.8-165.616700113.2R1221 A1353 F1360 K1361 H1375R1221-E1355 IonicContact NH2-OE1 2.65Å; R1221-E1355 PolarHBondContact NH2-OE1 3Å; A1353-E1355 PolarHBondContact O-N 3.47Å; E1355-F1360 HydrophobicContact CB-CD1 4.02Å; E1355-F1360 HydrophobicContact CB-CE1 3.89Å; E1355-F1360 HydrophobicContact CB-CG 4.42Å; E1355-F1360 HydrophobicContact CB-CZ 4.16Å; E1355-F1360 HydrophobicContact CG-CD1 4.42Å; E1355-F1360 HydrophobicContact CG-CD2 4.42Å; E1355-F1360 HydrophobicContact CG-CE1 3.92Å; E1355-F1360 HydrophobicContact CG-CE2 3.93Å; E1355-F1360 HydrophobicContact CG-CZ 3.66Å; E1355-K1361 WeakPolarHBondContact O-CE 3.3Å; E1355-H1375 IonicContact OE1-CD2 3.48Å; E1355-H1375 PolarHBondContact OE1-CD2 3.21Å; E1355-H1375 IonicContact OE1-CE1 2.86Å; E1355-H1375 IonicContact OE1-NE2 3.62Å; E1355-H1375 PolarHBondContact OE1-NE2 2.89Å
1356D79.3Confident82.6Confident127 Ų12762 Ų6268%0.67931%0.313SS*.THydrogen-bonded Turntrans-76.8-21.1176.7-69.9-54.2000115.1K1354 K1361K1354-D1356 PolarHBondContact O-N 2.87Å; D1356-K1361 WeakPolarHBondContact O-CE 3.5Å; D1356-K1361 PolarHBondContact O-NZ 3.48Å; D1356-K1361 IonicContact OD1-NZ 2.7Å
1357E80.6Confident83Confident70 Ų7060.5 Ų60.533%0.32730%0.301SS..SBendtrans-67143.8-176.4-69.4-83.4-176.100111.4P1339 K1354 E1359 F1360 K1361P1339-E1357 HydrophobicContact CG-CB 3.86Å; P1339-E1357 HydrophobicContact CG-CG 4.12Å; K1354-E1357 HydrophobicContact CB-CB 4.33Å; K1354-E1357 HydrophobicContact CB-CG 3.45Å; K1354-E1357 VanDerWaalsContact CB-CG 3.45Å; K1354-E1357 HydrophobicContact CD-CG 3.6Å; K1354-E1357 WeakPolarHBondContact CD-OE1 3.36Å; K1354-E1357 HydrophobicContact CG-CG 4.25Å; K1354-E1357 IonicContact NZ-OE1 2.78Å; K1354-E1357 PolarHBondContact NZ-OE1 2.79Å; K1354-E1357 WeakPolarHBondContact O-CB 3.45Å; K1354-E1357 PolarHBondContact O-N 3.17Å; E1357-E1359 PolarHBondContact O-N 2.8Å; E1357-E1359 VanDerWaalsContact O-N 3.14Å; E1357-F1360 PolarHBondContact O-N 3.36Å; E1357-K1361 PolarHBondContact O-N 2.82Å
1358P78.6Confident83.5Confident84 Ų8458.5 Ų58.555%0.54529%0.291SS..THydrogen-bonded Turntrans-66.5-16.418028.5-35.6000113R1362P1358-R1362 VanDerWaalsContact O-CG 3.28Å; P1358-R1362 WeakPolarHBondContact O-CG 3.44Å; P1358-R1362 PolarHBondContact O-N 3.3Å; P1358-R1362 PolarHBondContact O-NE 3.4Å
1359E78.8Confident83.4Confident77 Ų7761.5 Ų61.536%0.3630%0.299SS..THydrogen-bonded Turntrans-73.3-42.8169.7-175.1169.7-13800112.3H1330 P1339 E1357 R1362H1330-E1359 IonicContact CD2-OE2 2.88Å; H1330-E1359 IonicContact CE1-OE2 3.64Å; H1330-E1359 IonicContact NE2-OE1 3.44Å; H1330-E1359 IonicContact NE2-OE2 3.01Å; H1330-E1359 PolarHBondContact NE2-OE2 3.14Å; P1339-E1359 HydrophobicContact CG-CB 4.12Å; P1339-E1359 HydrophobicContact CG-CG 4.45Å; E1357-E1359 PolarHBondContact O-N 2.8Å; E1357-E1359 VanDerWaalsContact O-N 3.14Å; E1359-R1362 PolarHBondContact O-N 3.44Å
1360F86.7Confident83.1Confident24 Ų2463.2 Ų63.211%0.10531%0.306CS..G310 helixtrans-65.1-45174.6-170.2-77.8000111.2L1338 A1353 E1355 E1357 R1362 A1363 V1368 L1374L1338-F1360 HydrophobicContact CB-CD2 4.33Å; L1338-F1360 HydrophobicContact CD1-CD2 4.31Å; L1338-F1360 HydrophobicContact CD1-CE2 4.11Å; L1338-F1360 HydrophobicContact CD2-CB 4.49Å; L1338-F1360 HydrophobicContact CD2-CD2 3.83Å; L1338-F1360 HydrophobicContact CD2-CE2 4.4Å; L1338-F1360 HydrophobicContact CD2-CG 4.3Å; L1338-F1360 HydrophobicContact CG-CD2 4.39Å; A1353-F1360 HydrophobicContact CB-CD2 4.25Å; A1353-F1360 HydrophobicContact CB-CE2 3.93Å; E1355-F1360 HydrophobicContact CB-CD1 4.02Å; E1355-F1360 HydrophobicContact CB-CE1 3.89Å; E1355-F1360 HydrophobicContact CB-CG 4.42Å; E1355-F1360 HydrophobicContact CB-CZ 4.16Å; E1355-F1360 HydrophobicContact CG-CD1 4.42Å; E1355-F1360 HydrophobicContact CG-CD2 4.42Å; E1355-F1360 HydrophobicContact CG-CE1 3.92Å; E1355-F1360 HydrophobicContact CG-CE2 3.93Å; E1355-F1360 HydrophobicContact CG-CZ 3.66Å; E1357-F1360 PolarHBondContact O-N 3.36Å; F1360-R1362 PolarHBondContact O-N 3.34Å; F1360-R1362 VanDerWaalsContact O-N 3.13Å; F1360-A1363 WeakPolarHBondContact O-CB 3.36Å; F1360-A1363 PolarHBondContact O-N 2.97Å; F1360-V1368 HydrophobicContact CZ-CG1 4.03Å; F1360-L1374 HydrophobicContact CE2-CD2 4.21Å; F1360-L1374 HydrophobicContact CZ-CD1 4.43Å
1361K83.9Confident83Confident135 Ų13563.4 Ų63.459%0.58731%0.307SS*.G310 helixtrans-64.8-14.2179.3-71.1170.7176.71580114.5E1355 D1356 E1357E1355-K1361 WeakPolarHBondContact O-CE 3.3Å; D1356-K1361 WeakPolarHBondContact O-CE 3.5Å; D1356-K1361 PolarHBondContact O-NZ 3.48Å; D1356-K1361 IonicContact OD1-NZ 2.7Å; E1357-K1361 PolarHBondContact O-N 2.82Å
1362R80.8Confident82.3Confident190 Ų19068.6 Ų68.672%0.71733%0.331SS*.G310 helixtrans-91.2-9.8173.1-80179.4-67.6150.10.8113.7P1358 E1359 F1360P1358-R1362 VanDerWaalsContact O-CG 3.28Å; P1358-R1362 WeakPolarHBondContact O-CG 3.44Å; P1358-R1362 PolarHBondContact O-N 3.3Å; P1358-R1362 PolarHBondContact O-NE 3.4Å; E1359-R1362 PolarHBondContact O-N 3.44Å; F1360-R1362 PolarHBondContact O-N 3.34Å; F1360-R1362 VanDerWaalsContact O-N 3.13Å
1363A82.3Confident82.1Confident22 Ų2269.3 Ų69.318%0.18233%0.334CS..SBendtrans-77138.8177.100000110.9L1336 L1338 F1360 P1365 V1368L1336-A1363 HydrophobicContact CD2-CB 3.9Å; L1338-A1363 HydrophobicContact CD2-CB 3.86Å; F1360-A1363 WeakPolarHBondContact O-CB 3.36Å; F1360-A1363 PolarHBondContact O-N 2.97Å; A1363-P1365 WeakPolarHBondContact O-CD 3.46Å; A1363-V1368 HydrophobicContact CB-CG2 3.67Å
1364D81.7Confident81.8Confident54 Ų5469 Ų6929%0.28933%0.331SS..  trans-61.9120.3178.9-175.6-27.5000110.7Q1366 V1367 V1368 N1555D1364-Q1366 PolarHBondContact O-N 2.65Å; D1364-Q1366 VanDerWaalsContact O-N 3.13Å; D1364-Q1366 WeakPolarHBondContact OD1-CB 3.43Å; D1364-Q1366 PolarHBondContact OD1-N 2.8Å; D1364-V1367 HydrophobicContact CB-CB 4.36Å; D1364-V1367 HydrophobicContact CB-CG2 4.48Å; D1364-V1367 PolarHBondContact O-N 3.04Å; D1364-V1368 WeakPolarHBondContact O-CG2 3.35Å; D1364-V1368 PolarHBondContact O-N 3.12Å; D1364-N1555 WeakPolarHBondContact CB-ND2 3.4Å
1365P81Confident81.7Confident93 Ų9365.8 Ų65.860%0.60432%0.317SS*.Hα-helixtrans-54.5-29.5178.1-27.236.1000114.8A1363 R1369A1363-P1365 WeakPolarHBondContact O-CD 3.46Å; P1365-R1369 VanDerWaalsContact O-CG 3.3Å; P1365-R1369 WeakPolarHBondContact O-CG 3.45Å; P1365-R1369 PolarHBondContact O-N 3.2Å
1366Q80.3Confident81.7Confident89 Ų8963.2 Ų63.242%0.41631%0.307SS..Hα-helixtrans-69.9-38.7177.2-59.5-63.1-3.400111.9D1364 T1551D1364-Q1366 PolarHBondContact O-N 2.65Å; D1364-Q1366 VanDerWaalsContact O-N 3.13Å; D1364-Q1366 WeakPolarHBondContact OD1-CB 3.43Å; D1364-Q1366 PolarHBondContact OD1-N 2.8Å; Q1366-T1551 HydrophobicContact CB-CG2 3.84Å
1367V82.4Confident81.9Confident2 Ų261 Ų611%0.01229%0.289CS..Hα-helixtrans-74.1-39.5175.4168.10000111.2L1336 D1364 R1369 Y1370 T1551 L1552 N1555L1336-V1367 HydrophobicContact CD1-CG1 3.84Å; L1336-V1367 HydrophobicContact CD2-CG1 3.84Å; L1336-V1367 HydrophobicContact CG-CG1 3.64Å; D1364-V1367 HydrophobicContact CB-CB 4.36Å; D1364-V1367 HydrophobicContact CB-CG2 4.48Å; D1364-V1367 PolarHBondContact O-N 3.04Å; V1367-R1369 PolarHBondContact O-N 3.46Å; V1367-Y1370 PolarHBondContact O-N 3.37Å; V1367-Y1370 VanDerWaalsContact O-N 3.13Å; V1367-T1551 HydrophobicContact CG2-CG2 3.97Å; V1367-L1552 HydrophobicContact CB-CD2 4.34Å; V1367-L1552 HydrophobicContact CG1-CD2 3.47Å; V1367-L1552 VanDerWaalsContact CG1-CD2 3.47Å; V1367-L1552 HydrophobicContact CG2-CD2 4Å; V1367-N1555 HydrophobicContact CG2-CB 3.7Å; V1367-N1555 WeakPolarHBondContact CG2-ND2 3.45Å
1368V84.7Confident82.2Confident20 Ų2058.5 Ų58.512%0.12128%0.277CS..Hα-helixtrans-58.8-30.7176.9174.10000112.3L1336 F1360 A1363 D1364 Y1370 C1371 L1374L1336-V1368 HydrophobicContact CD1-CG2 4.46Å; L1336-V1368 HydrophobicContact CD2-CG2 4.12Å; F1360-V1368 HydrophobicContact CZ-CG1 4.03Å; A1363-V1368 HydrophobicContact CB-CG2 3.67Å; D1364-V1368 WeakPolarHBondContact O-CG2 3.35Å; D1364-V1368 PolarHBondContact O-N 3.12Å; V1368-Y1370 VanDerWaalsContact C-N 3.27Å; V1368-Y1370 PolarHBondContact O-N 3.37Å; V1368-C1371 WeakPolarHBondContact O-CB 3.32Å; V1368-C1371 PolarHBondContact O-N 2.81Å; V1368-C1371 VanDerWaalsContact O-N 3.12Å; V1368-L1374 HydrophobicContact CG1-CD1 3.62Å
1369R82.4Confident82.4Confident128 Ų12858.8 Ų58.848%0.48327%0.271SS..THydrogen-bonded Turntrans-59.7-29.8175.8-77.3164.8-179.8-162.1-9.7114.6Y1257 P1365 V1367 C1371Y1257-R1369 HydrophobicContact CD2-CB 4.47Å; P1365-R1369 VanDerWaalsContact O-CG 3.3Å; P1365-R1369 WeakPolarHBondContact O-CG 3.45Å; P1365-R1369 PolarHBondContact O-N 3.2Å; V1367-R1369 PolarHBondContact O-N 3.46Å; R1369-C1371 VanDerWaalsContact C-N 3.33Å
1370Y82.4Confident82.7Confident39 Ų3956 Ų5615%0.15326%0.259CS..THydrogen-bonded Turntrans-86-2.2179-67.4-72.2000113.4N1255 Y1257 V1367 V1368 E1372 E1547 P1548 T1551N1255-Y1370 PolarHBondContact ND2-OH 3.17Å; Y1257-Y1370 HydrophobicContact CD2-CD1 4.31Å; Y1257-Y1370 HydrophobicContact CD2-CE1 4.07Å; V1367-Y1370 PolarHBondContact O-N 3.37Å; V1367-Y1370 VanDerWaalsContact O-N 3.13Å; V1368-Y1370 VanDerWaalsContact C-N 3.27Å; V1368-Y1370 PolarHBondContact O-N 3.37Å; Y1370-E1372 PolarHBondContact O-N 2.65Å; Y1370-E1547 PolarHBondContact OH-OE1 3.37Å; Y1370-E1547 VanDerWaalsContact OH-OE1 3.07Å; Y1370-P1548 HydrophobicContact CD1-CB 3.64Å; Y1370-P1548 HydrophobicContact CD2-CB 3.72Å; Y1370-P1548 HydrophobicContact CE1-CB 3.99Å; Y1370-P1548 HydrophobicContact CE2-CB 4.06Å; Y1370-P1548 HydrophobicContact CG-CB 3.48Å; Y1370-P1548 VanDerWaalsContact CG-CB 3.48Å; Y1370-T1551 HydrophobicContact CD2-CG2 4.49Å; Y1370-T1551 HydrophobicContact CE2-CG2 4.06Å
1371C85.7Confident82.6Confident8 Ų856.9 Ų56.95%0.05428%0.275CS..  trans-90.196.2176.2-167.10000111.6R1221 L1336 V1368 R1369 H1373 L1374R1221-C1371 PolarHBondContact NH1-O 3.14Å; L1336-C1371 HydrophobicContact CD1-CB 3.9Å; V1368-C1371 WeakPolarHBondContact O-CB 3.32Å; V1368-C1371 PolarHBondContact O-N 2.81Å; V1368-C1371 VanDerWaalsContact O-N 3.12Å; R1369-C1371 VanDerWaalsContact C-N 3.33Å; C1371-H1373 VanDerWaalsContact C-N 3.26Å; C1371-H1373 PolarHBondContact O-N 3.14Å; C1371-L1374 HydrophobicContact CB-CD1 4.05Å; C1371-L1374 HydrophobicContact CB-CD2 3.96Å; C1371-L1374 HydrophobicContact CB-CG 3.86Å; C1371-L1374 WeakPolarHBondContact O-CG 3.21Å; C1371-L1374 WeakPolarHBondContact SG-CD2 3.48Å
1372E76.2Confident82.9Confident109 Ų10954.4 Ų54.451%0.50927%0.266SS..THydrogen-bonded Turntrans-70.2-17.6179.9-66.5-153.6139.100113.8K1225 L1241 Y1370K1225-E1372 IonicContact NZ-OE1 3.87Å; K1225-E1372 PolarHBondContact NZ-OE1 3.34Å; L1241-E1372 HydrophobicContact CD1-CB 4.43Å; L1241-E1372 HydrophobicContact CD1-CG 4.13Å; Y1370-E1372 PolarHBondContact O-N 2.65Å
1373H82.6Confident83.5Confident33 Ų3345.4 Ų45.415%0.15323%0.232CC..THydrogen-bonded Turntrans-103.28.3-167-61.2-23.5000116.1L1331 C1371 H1375 G1376 W1378 V1408L1331-H1373 HydrophobicContact CD1-CB 4.25Å; L1331-H1373 HydrophobicContact CD2-CB 4.1Å; C1371-H1373 VanDerWaalsContact C-N 3.26Å; C1371-H1373 PolarHBondContact O-N 3.14Å; H1373-H1375 PolarHBondContact O-N 2.82Å; H1373-G1376 PolarHBondContact O-N 2.86Å; H1373-G1376 VanDerWaalsContact O-N 3.15Å; H1373-W1378 HydrophobicContact CB-CH2 4.24Å; H1373-W1378 HydrophobicContact CB-CZ2 3.98Å; H1373-W1378 AromaticContact CG-CZ2 3.84Å; H1373-V1408 HydrophobicContact CB-CG2 4.21Å
1374L81.6Confident84Confident1 Ų150.6 Ų50.61%0.00525%0.247CC..THydrogen-bonded Turntrans-54.8-27.2-179.1-60.6174.6000114.3L1331 L1338 F1351 A1353 F1360 V1368 C1371L1331-L1374 HydrophobicContact CD2-CD2 4.06Å; L1338-L1374 HydrophobicContact CD1-CD2 3.27Å; F1351-L1374 WeakPolarHBondContact CD1-O 3.34Å; A1353-L1374 HydrophobicContact CB-CB 4.19Å; A1353-L1374 HydrophobicContact CB-CD2 4.47Å; A1353-L1374 WeakPolarHBondContact CB-O 3.41Å; A1353-L1374 PolarHBondContact N-O 3.12Å; F1360-L1374 HydrophobicContact CE2-CD2 4.21Å; F1360-L1374 HydrophobicContact CZ-CD1 4.43Å; V1368-L1374 HydrophobicContact CG1-CD1 3.62Å; C1371-L1374 HydrophobicContact CB-CD1 4.05Å; C1371-L1374 HydrophobicContact CB-CD2 3.96Å; C1371-L1374 HydrophobicContact CB-CG 3.86Å; C1371-L1374 WeakPolarHBondContact O-CG 3.21Å; C1371-L1374 WeakPolarHBondContact SG-CD2 3.48Å
1375H82.3Confident84.6Confident13 Ų1348.4 Ų48.46%0.0624%0.236CC..THydrogen-bonded Turntrans-136.242.2179.4-72.4-72.8000110.2R1214 I1217 I1218 F1351 D1352 A1353 E1355 H1373R1214-H1375 HydrophobicContact CG-CB 3.78Å; I1217-H1375 VanDerWaalsContact CG2-CD2 3.49Å; I1217-H1375 WeakPolarHBondContact CG2-CD2 3.32Å; I1218-H1375 HydrophobicContact CG1-CB 4.46Å; F1351-H1375 CarbonylContact O-C 3.58Å; F1351-H1375 VanDerWaalsContact O-C 3.28Å; F1351-H1375 VanDerWaalsContact O-CA 3.23Å; F1351-H1375 WeakPolarHBondContact O-CA 3.4Å; D1352-H1375 IonicContact OD1-ND1 3.19Å; A1353-H1375 PolarHBondContact O-CE1 3.07Å; A1353-H1375 VanDerWaalsContact O-CE1 3.23Å; E1355-H1375 IonicContact OE1-CD2 3.48Å; E1355-H1375 PolarHBondContact OE1-CD2 3.21Å; E1355-H1375 IonicContact OE1-CE1 2.86Å; E1355-H1375 IonicContact OE1-NE2 3.62Å; E1355-H1375 PolarHBondContact OE1-NE2 2.89Å; H1373-H1375 PolarHBondContact O-N 2.82Å
1376G81.8Confident85.3Confident9 Ų944 Ų449%0.09321%0.208CC..  trans-73.1149.3-169.100000114A1350 F1351 H1373A1350-G1376 WeakPolarHBondContact CA-O 3.36Å; F1351-G1376 PolarHBondContact N-O 2.85Å; F1351-G1376 PolarHBondContact O-N 2.98Å; H1373-G1376 PolarHBondContact O-N 2.86Å; H1373-G1376 VanDerWaalsContact O-N 3.15Å
1377R82.5Confident85.9Confident80 Ų8040.1 Ų40.130%0.30219%0.189SC..EExtended strand (participates in β ladder)trans-136.9137.2172.7-59.9-166.1-70151.5-15.3109.4Y488 E1348 V1349 A1350Y488-R1377 PolarHBondContact OH-NH2 3.12Å; E1348-R1377 WeakPolarHBondContact OE1-CD 3.34Å; E1348-R1377 IonicContact OE1-CZ 3.87Å; E1348-R1377 IonicContact OE1-NE 2.81Å; E1348-R1377 IonicContact OE1-NH1 3.59Å; E1348-R1377 PolarHBondContact OE1-NH1 3.01Å; E1348-R1377 VanDerWaalsContact OE1-NH1 3.16Å; V1349-R1377 WeakPolarHBondContact O-CA 3.16Å; A1350-R1377 HydrophobicContact CB-CG 4.09Å
1378W86.8Confident86.5Confident18 Ų1840.6 Ų40.67%0.06819%0.192CC..EExtended strand (participates in β ladder)trans-141.3132.7-175.2-58-79.7000109.3E1348 V1349 F1351 H1373 M1402 V1408 F1410E1348-W1378 WeakPolarHBondContact CA-O 3.38Å; V1349-W1378 HydrophobicContact CG1-CE3 4.27Å; V1349-W1378 PolarHBondContact N-O 3.42Å; V1349-W1378 PolarHBondContact O-N 3.29Å; F1351-W1378 HydrophobicContact CB-CH2 4.37Å; F1351-W1378 HydrophobicContact CB-CZ3 4.04Å; H1373-W1378 HydrophobicContact CB-CH2 4.24Å; H1373-W1378 HydrophobicContact CB-CZ2 3.98Å; H1373-W1378 AromaticContact CG-CZ2 3.84Å; W1378-M1402 HydrophobicContact CB-CE 3.67Å; W1378-M1402 HydrophobicContact CB-SD 4.43Å; W1378-M1402 HydrophobicContact CG-CE 3.93Å; W1378-M1402 HydrophobicContact CG-SD 4.24Å; W1378-V1408 HydrophobicContact CH2-CB 4.46Å; W1378-V1408 HydrophobicContact CH2-CG1 4.31Å; W1378-V1408 HydrophobicContact CH2-CG2 3.85Å; W1378-V1408 HydrophobicContact CZ2-CB 4.05Å; W1378-V1408 HydrophobicContact CZ2-CG1 4Å; W1378-V1408 HydrophobicContact CZ2-CG2 3.85Å; W1378-F1410 AromaticContact CH2-CZ 3.85Å; W1378-F1410 HydrophobicContact CH2-CZ 3.85Å; W1378-F1410 HydrophobicContact CZ3-CE2 4.41Å; W1378-F1410 AromaticContact CZ3-CZ 3.78Å; W1378-F1410 HydrophobicContact CZ3-CZ 3.78Å
1379H84.1Confident86.7Confident91 Ų9139.7 Ų39.742%0.42119%0.186SC..EExtended strand (participates in β ladder)trans-75.2138.9173.9-169.8-92.6000109N1347 G1381 E1382N1347-H1379 CarbonylContact O-C 3.59Å; N1347-H1379 WeakPolarHBondContact O-CA 3.43Å; N1347-H1379 PolarHBondContact O-CD2 3.33Å; N1347-H1379 VanDerWaalsContact O-CG 3.32Å; H1379-G1381 PolarHBondContact ND1-N 3.1Å; H1379-G1381 PolarHBondContact O-N 2.88Å; H1379-E1382 HydrophobicContact CB-CG 4.01Å; H1379-E1382 PolarHBondContact N-OE2 3.11Å; H1379-E1382 VanDerWaalsContact O-CB 3.3Å; H1379-E1382 WeakPolarHBondContact O-CB 3.11Å; H1379-E1382 PolarHBondContact O-N 2.96Å
1380T84.6Confident86.8Confident17 Ų1734.1 Ų34.110%0.10417%0.166CC..G310 helixtrans-58.8-36.1-177.751.50000111.6A1346 N1347 V1349 E1382 I1383A1346-T1380 PolarHBondContact O-OG1 2.89Å; N1347-T1380 WeakPolarHBondContact CA-OG1 3.44Å; N1347-T1380 PolarHBondContact O-N 2.87Å; N1347-T1380 PolarHBondContact O-OG1 2.94Å; V1349-T1380 HydrophobicContact CG2-CG2 4.13Å; T1380-E1382 PolarHBondContact O-N 2.95Å; T1380-E1382 VanDerWaalsContact O-N 3.16Å; T1380-I1383 WeakPolarHBondContact O-CB 3.41Å; T1380-I1383 PolarHBondContact O-N 3.38Å
1381G85.4Confident86.8Confident43 Ų4334.1 Ų34.144%0.44317%0.166SC..G310 helixtrans-65.3-7.7172.500000116H1379 R1384H1379-G1381 PolarHBondContact ND1-N 3.1Å; H1379-G1381 PolarHBondContact O-N 2.88Å; G1381-R1384 PolarHBondContact O-NH1 3.35Å; G1381-R1384 PolarHBondContact O-NH2 2.85Å
1382E88.8Confident86.4Confident83 Ų8339.2 Ų39.239%0.38819%0.193SC..G310 helixtrans-89.7-16.4170.6-65.3170.5149.600112.5H1379 T1380 M1402 A1403H1379-E1382 HydrophobicContact CB-CG 4.01Å; H1379-E1382 PolarHBondContact N-OE2 3.11Å; H1379-E1382 VanDerWaalsContact O-CB 3.3Å; H1379-E1382 WeakPolarHBondContact O-CB 3.11Å; H1379-E1382 PolarHBondContact O-N 2.96Å; T1380-E1382 PolarHBondContact O-N 2.95Å; T1380-E1382 VanDerWaalsContact O-N 3.16Å; E1382-M1402 HydrophobicContact CB-CE 3.5Å; E1382-M1402 CarbonylContact O-C 3.59Å; E1382-A1403 HydrophobicContact CB-CB 4.19Å; E1382-A1403 WeakPolarHBondContact O-CB 3.34Å; E1382-A1403 PolarHBondContact O-N 3.12Å
1383I93.7Very high86.4Confident2 Ų238.3 Ų38.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-70.1135.9-179.8-53.5169.4000108.7V1349 T1380 I1386 L1400 M1402 L1425 P1426 V1428V1349-I1383 HydrophobicContact CG2-CD1 4Å; T1380-I1383 WeakPolarHBondContact O-CB 3.41Å; T1380-I1383 PolarHBondContact O-N 3.38Å; I1383-I1386 HydrophobicContact CG2-CD1 4.16Å; I1383-I1386 HydrophobicContact CG2-CG1 3.75Å; I1383-L1400 HydrophobicContact CD1-CD2 3.91Å; I1383-L1400 HydrophobicContact CG1-CD2 4.43Å; I1383-L1400 HydrophobicContact CG2-CD2 4.29Å; I1383-M1402 HydrophobicContact CG1-CE 3.81Å; I1383-M1402 HydrophobicContact CG1-SD 4.03Å; I1383-L1425 HydrophobicContact CD1-CD2 3.97Å; I1383-P1426 HydrophobicContact CB-CG 4.1Å; I1383-P1426 HydrophobicContact CD1-CG 4Å; I1383-V1428 HydrophobicContact CG2-CG2 4.06Å
1384R93Very high86.3Confident131 Ų13141.2 Ų41.249%0.49421%0.205SC..EExtended strand (participates in β ladder)trans-122.7-26.8-174.6-66.2-69.2169.4-93.60.4113.9G1381 F1401 A1403 G1431G1381-R1384 PolarHBondContact O-NH1 3.35Å; G1381-R1384 PolarHBondContact O-NH2 2.85Å; R1384-F1401 PolarHBondContact N-O 3.25Å; R1384-A1403 HydrophobicContact CG-CB 4.21Å; R1384-G1431 WeakPolarHBondContact O-CA 3.47Å
1385A94.4Very high86.5Confident8 Ų842.9 Ų42.97%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-155.9151.9170.200000109.8F1387 F1401 V1430A1385-F1387 HydrophobicContact CB-CD2 4.31Å; A1385-F1387 HydrophobicContact CB-CE2 3.67Å; A1385-F1387 HydrophobicContact CB-CZ 4.48Å; A1385-F1401 HydrophobicContact CB-CB 4.16Å; A1385-F1401 HydrophobicContact CB-CD2 4.36Å; A1385-F1401 PolarHBondContact N-O 3.47Å; A1385-F1401 PolarHBondContact O-N 2.98Å; A1385-V1430 VanDerWaalsContact CB-C 3.47Å; A1385-V1430 WeakPolarHBondContact CB-O 3.33Å
1386I95.6Very high86.9Confident1 Ų144.5 Ų44.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-132.5125.2175.9-57.3158.1000107I1383 L1398 E1399 L1400 L1425 V1428 G1429 S1443I1383-I1386 HydrophobicContact CG2-CD1 4.16Å; I1383-I1386 HydrophobicContact CG2-CG1 3.75Å; I1386-L1398 HydrophobicContact CG2-CD2 4.13Å; I1386-E1399 WeakPolarHBondContact CA-O 3.28Å; I1386-L1400 HydrophobicContact CG1-CD2 4.37Å; I1386-L1400 HydrophobicContact CG1-CG 4.42Å; I1386-L1425 HydrophobicContact CD1-CB 3.7Å; I1386-L1425 HydrophobicContact CD1-CD1 3.86Å; I1386-L1425 HydrophobicContact CD1-CG 4.36Å; I1386-L1425 HydrophobicContact CG1-CD1 4.42Å; I1386-L1425 HydrophobicContact CG2-CD1 4.36Å; I1386-V1428 HydrophobicContact CD1-CG2 3.75Å; I1386-V1428 HydrophobicContact CG1-CG2 3.87Å; I1386-G1429 PolarHBondContact N-O 2.72Å; I1386-S1443 WeakPolarHBondContact O-CA 3.5Å; I1386-S1443 WeakPolarHBondContact O-CB 3.28Å; I1386-S1443 PolarHBondContact O-OG 3.38Å
1387F94.2Very high87.5Confident6 Ų644.1 Ų44.13%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-119.3134.6178.6-69.2-97000111.9A1385 L1398 E1399 F1401 V1430 Y1434 L1450 T1476A1385-F1387 HydrophobicContact CB-CD2 4.31Å; A1385-F1387 HydrophobicContact CB-CE2 3.67Å; A1385-F1387 HydrophobicContact CB-CZ 4.48Å; F1387-L1398 CarbonylContact O-C 3.56Å; F1387-L1398 WeakPolarHBondContact O-CA 3.28Å; F1387-E1399 PolarHBondContact N-O 2.89Å; F1387-E1399 PolarHBondContact O-N 2.81Å; F1387-F1401 AromaticContact CD2-CD2 3.68Å; F1387-F1401 HydrophobicContact CD2-CD2 3.68Å; F1387-F1401 AromaticContact CD2-CE2 3.5Å; F1387-F1401 HydrophobicContact CD2-CE2 3.5Å; F1387-F1401 VanDerWaalsContact CD2-CE2 3.5Å; F1387-F1401 AromaticContact CE2-CD2 3.77Å; F1387-F1401 HydrophobicContact CE2-CD2 3.77Å; F1387-F1401 AromaticContact CE2-CE2 3.72Å; F1387-F1401 HydrophobicContact CE2-CE2 3.72Å; F1387-V1430 HydrophobicContact CD1-CB 4.15Å; F1387-V1430 HydrophobicContact CD1-CG1 3.62Å; F1387-V1430 HydrophobicContact CE1-CB 3.54Å; F1387-V1430 HydrophobicContact CE1-CG1 3.52Å; F1387-V1430 HydrophobicContact CE2-CB 4.38Å; F1387-V1430 HydrophobicContact CG-CG1 4.25Å; F1387-V1430 HydrophobicContact CZ-CB 3.67Å; F1387-V1430 HydrophobicContact CZ-CG1 4.08Å; F1387-V1430 WeakPolarHBondContact CZ-O 3.5Å; F1387-Y1434 HydrophobicContact CE1-CD2 4.49Å; F1387-Y1434 AromaticContact CE1-CE2 3.82Å; F1387-Y1434 HydrophobicContact CE1-CE2 3.82Å; F1387-Y1434 HydrophobicContact CZ-CD2 4.42Å; F1387-Y1434 AromaticContact CZ-CE2 3.63Å; F1387-Y1434 HydrophobicContact CZ-CE2 3.63Å; F1387-L1450 HydrophobicContact CD1-CD1 4.42Å; F1387-T1476 HydrophobicContact CE1-CG2 4.12Å; F1387-T1476 HydrophobicContact CE2-CG2 4.43Å; F1387-T1476 HydrophobicContact CZ-CG2 4.04Å
1388L94.3Very high88.1Confident12 Ų1240.3 Ų40.36%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-61136.4158.9-175.368.3000110.9L1301 Y1395 V1418 S1443 L1444L1301-L1388 HydrophobicContact CD1-CD1 3.5Å; L1301-L1388 VanDerWaalsContact CD1-CD1 3.5Å; L1301-L1388 HydrophobicContact CD1-CD2 3.52Å; L1301-L1388 HydrophobicContact CD1-CG 4.15Å; L1388-Y1395 HydrophobicContact CD2-CD1 3.84Å; L1388-Y1395 HydrophobicContact CD2-CG 4.15Å; L1388-Y1395 HydrophobicContact CG-CD1 3.97Å; L1388-V1418 HydrophobicContact CD1-CG1 4.01Å; L1388-S1443 WeakPolarHBondContact CB-O 3.37Å; L1388-S1443 PolarHBondContact N-O 3.45Å; L1388-L1444 WeakPolarHBondContact CD2-O 3.38Å
1389R89.3Confident88.5Confident2 Ų239.4 Ų39.41%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-130.7148.2179.5-64-64.3177.7-130.49.4111.1R1396 A1397 E1399 M1409 T1476 G1479R1389-R1396 PolarHBondContact O-N 3.3Å; R1389-A1397 HydrophobicContact CB-CB 3.9Å; R1389-A1397 PolarHBondContact N-O 2.89Å; R1389-A1397 PolarHBondContact O-N 2.99Å; R1389-E1399 HydrophobicContact CG-CB 3.8Å; R1389-E1399 IonicContact CZ-OE2 3.18Å; R1389-E1399 IonicContact NE-OE2 2.79Å; R1389-E1399 PolarHBondContact NE-OE2 2.82Å; R1389-E1399 IonicContact NH2-OE2 3.11Å; R1389-E1399 PolarHBondContact NH2-OE2 3.5Å; R1389-M1409 HydrophobicContact CB-CE 3.77Å; R1389-M1409 HydrophobicContact CG-CE 4.23Å; R1389-M1409 HydrophobicContact CG-SD 4.46Å; R1389-T1476 PolarHBondContact NH1-O 2.87Å; R1389-T1476 PolarHBondContact NH2-O 3.02Å; R1389-G1479 WeakPolarHBondContact CD-O 3.33Å
1390C84Confident89.1Confident10 Ų1035.4 Ų35.47%0.06818%0.176CC..EExtended strand (participates in β ladder)trans-86.3128.7172.9-166.50000108.5L1393 Q1394 Y1395 Q1487C1390-L1393 VanDerWaalsContact SG-CA 3.57Å; C1390-Q1394 CarbonylContact C-O 3.52Å; C1390-Q1394 WeakPolarHBondContact CA-O 3.4Å; C1390-Y1395 HydrophobicContact CB-CD1 4.28Å; C1390-Y1395 HydrophobicContact CB-CE1 4.19Å; C1390-Q1487 PolarHBondContact O-NE2 2.85Å; C1390-Q1487 PolarHBondContact O-OE1 2.86Å
1391Y81.3Confident89.6Confident39 Ų3936 Ų3615%0.15318%0.177CC..EExtended strand (participates in β ladder)trans-137.1118.6176.1-179.4-105.8000110.3I1332 A1337 Q1394 R1396 A1411I1332-Y1391 HydrophobicContact CD1-CD2 4.24Å; I1332-Y1391 HydrophobicContact CD1-CE1 4.27Å; I1332-Y1391 HydrophobicContact CD1-CE2 3.68Å; I1332-Y1391 HydrophobicContact CG1-CD2 4.44Å; I1332-Y1391 HydrophobicContact CG1-CE2 4.31Å; A1337-Y1391 WeakPolarHBondContact CB-OH 3.37Å; Y1391-Q1394 PolarHBondContact N-O 3.24Å; Y1391-Q1394 PolarHBondContact O-N 3.43Å; Y1391-R1396 PolarHBondContact O-NE 3.44Å; Y1391-R1396 VanDerWaalsContact O-NE 3.14Å; Y1391-A1411 HydrophobicContact CD1-CB 3.45Å; Y1391-A1411 VanDerWaalsContact CD1-CB 3.45Å; Y1391-A1411 HydrophobicContact CE1-CB 3.86Å; Y1391-A1411 HydrophobicContact CG-CB 3.85Å
1392L78.9Confident89.9Confident116 Ų11634.3 Ų34.361%0.60716%0.158SC*.THydrogen-bonded Turntrans50.956.8-166.7-53.7-177.7000111.8Q1394L1392-Q1394 PolarHBondContact O-N 3.25Å
1393L75.8Confident89.8Confident90 Ų9032.4 Ų32.447%0.47116%0.156SC..THydrogen-bonded Turntrans62.94.4178.1-55.3176.5000116.7C1390 E1663C1390-L1393 VanDerWaalsContact SG-CA 3.57Å; L1393-E1663 HydrophobicContact CD2-CG 4.18Å
1394Q80.9Confident89.3Confident94 Ų9435.3 Ų35.344%0.43918%0.177SC..EExtended strand (participates in β ladder)trans-116.8142.9179.3-66.6177.8-16.500112.1C1390 Y1391 L1392 R1396C1390-Q1394 CarbonylContact C-O 3.52Å; C1390-Q1394 WeakPolarHBondContact CA-O 3.4Å; Y1391-Q1394 PolarHBondContact N-O 3.24Å; Y1391-Q1394 PolarHBondContact O-N 3.43Å; L1392-Q1394 PolarHBondContact O-N 3.25Å; Q1394-R1396 HydrophobicContact CB-CG 4.07Å; Q1394-R1396 PolarHBondContact O-N 3.2Å
1395Y85.7Confident89.1Confident35 Ų3533.4 Ų33.414%0.13717%0.17CC..EExtended strand (participates in β ladder)trans-77.264.6176.7-74-71000112.5L1388 C1390 Q1415 P1447 F1660L1388-Y1395 HydrophobicContact CD2-CD1 3.84Å; L1388-Y1395 HydrophobicContact CD2-CG 4.15Å; L1388-Y1395 HydrophobicContact CG-CD1 3.97Å; C1390-Y1395 HydrophobicContact CB-CD1 4.28Å; C1390-Y1395 HydrophobicContact CB-CE1 4.19Å; Y1395-Q1415 WeakPolarHBondContact O-CG 3.28Å; Y1395-P1447 HydrophobicContact CE1-CG 4.35Å; Y1395-P1447 WeakPolarHBondContact OH-CD 3.46Å; Y1395-F1660 PolarHBondContact OH-O 3.14Å; Y1395-F1660 VanDerWaalsContact OH-O 3.08Å
1396R90.4Very high88.9Confident48 Ų4834.1 Ų34.118%0.18117%0.173CC..EExtended strand (participates in β ladder)trans-122.416.8-172.767.3-176.9177.6155.22.1114.7R1389 Y1391 Q1394 F1412 G1413R1389-R1396 PolarHBondContact O-N 3.3Å; Y1391-R1396 PolarHBondContact O-NE 3.44Å; Y1391-R1396 VanDerWaalsContact O-NE 3.14Å; Q1394-R1396 HydrophobicContact CB-CG 4.07Å; Q1394-R1396 PolarHBondContact O-N 3.2Å; R1396-F1412 WeakPolarHBondContact CD-O 3.3Å; R1396-F1412 PolarHBondContact O-N 2.9Å; R1396-G1413 PolarHBondContact NH1-O 2.85Å
1397A93.1Very high88.7Confident0 Ų034.5 Ų34.50%018%0.177CC..EExtended strand (participates in β ladder)trans-125.1155178.600000112.3R1389 M1409 F1410 A1411R1389-A1397 HydrophobicContact CB-CB 3.9Å; R1389-A1397 PolarHBondContact N-O 2.89Å; R1389-A1397 PolarHBondContact O-N 2.99Å; A1397-M1409 HydrophobicContact CB-CE 3.68Å; A1397-F1410 CarbonylContact C-O 3.52Å; A1397-F1410 WeakPolarHBondContact CA-O 3.41Å; A1397-F1410 WeakPolarHBondContact CB-O 3.16Å; A1397-A1411 HydrophobicContact CB-CB 4.11Å
1398L96Very high88.7Confident0 Ų034.2 Ų34.20%018%0.176CC..EExtended strand (participates in β ladder)trans-125.8136.2175.6-66.9171.9000109.8I1386 F1387 M1409 F1410 F1412 V1418 V1421 V1422I1386-L1398 HydrophobicContact CG2-CD2 4.13Å; F1387-L1398 CarbonylContact O-C 3.56Å; F1387-L1398 WeakPolarHBondContact O-CA 3.28Å; L1398-M1409 CarbonylContact O-C 3.56Å; L1398-M1409 VanDerWaalsContact O-CA 3.32Å; L1398-M1409 WeakPolarHBondContact O-CA 3.22Å; L1398-F1410 PolarHBondContact N-O 2.82Å; L1398-F1410 PolarHBondContact O-N 2.77Å; L1398-F1412 HydrophobicContact CB-CE2 4.07Å; L1398-F1412 HydrophobicContact CD1-CE2 3.8Å; L1398-F1412 HydrophobicContact CD1-CZ 4.24Å; L1398-F1412 HydrophobicContact CG-CE2 3.96Å; L1398-V1418 HydrophobicContact CD1-CG1 4.23Å; L1398-V1418 HydrophobicContact CD2-CG1 3.84Å; L1398-V1418 HydrophobicContact CG-CG1 4.01Å; L1398-V1421 HydrophobicContact CD1-CB 4.18Å; L1398-V1421 HydrophobicContact CD1-CG1 3.79Å; L1398-V1422 HydrophobicContact CD1-CG2 3.67Å; L1398-V1422 HydrophobicContact CD2-CG2 3.73Å; L1398-V1422 HydrophobicContact CG-CG2 4.37Å
1399E95.9Very high88.8Confident0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-113.9122.1169.6-177.1176.5-136.600109.8I1386 F1387 R1389 F1401 A1407 V1408 M1409 T1481 N1483I1386-E1399 WeakPolarHBondContact CA-O 3.28Å; F1387-E1399 PolarHBondContact N-O 2.89Å; F1387-E1399 PolarHBondContact O-N 2.81Å; R1389-E1399 HydrophobicContact CG-CB 3.8Å; R1389-E1399 IonicContact CZ-OE2 3.18Å; R1389-E1399 IonicContact NE-OE2 2.79Å; R1389-E1399 PolarHBondContact NE-OE2 2.82Å; R1389-E1399 IonicContact NH2-OE2 3.11Å; R1389-E1399 PolarHBondContact NH2-OE2 3.5Å; E1399-F1401 HydrophobicContact CB-CE2 4.47Å; E1399-F1401 HydrophobicContact CG-CD2 4.31Å; E1399-F1401 HydrophobicContact CG-CE2 3.7Å; E1399-F1401 HydrophobicContact CG-CZ 4.18Å; E1399-F1401 WeakPolarHBondContact OE2-CE2 3.15Å; E1399-A1407 HydrophobicContact CG-CB 4.26Å; E1399-V1408 CarbonylContact C-O 3.56Å; E1399-V1408 WeakPolarHBondContact CA-O 3.36Å; E1399-M1409 HydrophobicContact CB-CB 4.39Å; E1399-M1409 HydrophobicContact CB-CG 4.4Å; E1399-M1409 HydrophobicContact CG-CB 4.46Å; E1399-T1481 WeakPolarHBondContact OE1-CB 3.42Å; E1399-T1481 PolarHBondContact OE1-OG1 3.24Å; E1399-N1483 PolarHBondContact OE1-ND2 2.99Å
1400L95.7Very high89.1Confident6 Ų633.6 Ų33.63%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-103.7125.9179-57.894.6000109.7I1383 I1386 M1402 A1407 V1408 F1410 L1425I1383-L1400 HydrophobicContact CD1-CD2 3.91Å; I1383-L1400 HydrophobicContact CG1-CD2 4.43Å; I1383-L1400 HydrophobicContact CG2-CD2 4.29Å; I1386-L1400 HydrophobicContact CG1-CD2 4.37Å; I1386-L1400 HydrophobicContact CG1-CG 4.42Å; L1400-M1402 HydrophobicContact CB-SD 4.36Å; L1400-A1407 CarbonylContact O-C 3.44Å; L1400-A1407 VanDerWaalsContact O-CA 3.27Å; L1400-A1407 WeakPolarHBondContact O-CA 3.42Å; L1400-V1408 HydrophobicContact CB-CG1 4.09Å; L1400-V1408 HydrophobicContact CD1-CG1 4.26Å; L1400-V1408 PolarHBondContact N-O 2.75Å; L1400-V1408 PolarHBondContact O-N 2.75Å; L1400-F1410 HydrophobicContact CD1-CD2 3.7Å; L1400-F1410 HydrophobicContact CD1-CE2 3.88Å; L1400-L1425 HydrophobicContact CD2-CD1 3.85Å; L1400-L1425 HydrophobicContact CD2-CD2 4.07Å
1401F94.3Very high89.6Confident29 Ų2933.3 Ų33.313%0.12717%0.17CC..EExtended strand (participates in β ladder)trans-97.8130174.4-72.2-98.3000110R1384 A1385 F1387 E1399 A1407R1384-F1401 PolarHBondContact N-O 3.25Å; A1385-F1401 HydrophobicContact CB-CB 4.16Å; A1385-F1401 HydrophobicContact CB-CD2 4.36Å; A1385-F1401 PolarHBondContact N-O 3.47Å; A1385-F1401 PolarHBondContact O-N 2.98Å; F1387-F1401 AromaticContact CD2-CD2 3.68Å; F1387-F1401 HydrophobicContact CD2-CD2 3.68Å; F1387-F1401 AromaticContact CD2-CE2 3.5Å; F1387-F1401 HydrophobicContact CD2-CE2 3.5Å; F1387-F1401 VanDerWaalsContact CD2-CE2 3.5Å; F1387-F1401 AromaticContact CE2-CD2 3.77Å; F1387-F1401 HydrophobicContact CE2-CD2 3.77Å; F1387-F1401 AromaticContact CE2-CE2 3.72Å; F1387-F1401 HydrophobicContact CE2-CE2 3.72Å; E1399-F1401 HydrophobicContact CB-CE2 4.47Å; E1399-F1401 HydrophobicContact CG-CD2 4.31Å; E1399-F1401 HydrophobicContact CG-CE2 3.7Å; E1399-F1401 HydrophobicContact CG-CZ 4.18Å; E1399-F1401 WeakPolarHBondContact OE2-CE2 3.15Å; F1401-A1407 HydrophobicContact CD1-CB 3.81Å; F1401-A1407 HydrophobicContact CE1-CB 3.74Å; F1401-A1407 HydrophobicContact CG-CB 4.25Å; F1401-A1407 HydrophobicContact CZ-CB 4.12Å
1402M93.1Very high90.3Very high8 Ų831.7 Ų31.74%0.03916%0.164CC..EExtended strand (participates in β ladder)trans-105.2154.9-170.4-56.2-51.2-53.100112.6W1378 E1382 I1383 L1400 S1404 R1405 T1406W1378-M1402 HydrophobicContact CB-CE 3.67Å; W1378-M1402 HydrophobicContact CB-SD 4.43Å; W1378-M1402 HydrophobicContact CG-CE 3.93Å; W1378-M1402 HydrophobicContact CG-SD 4.24Å; E1382-M1402 HydrophobicContact CB-CE 3.5Å; E1382-M1402 CarbonylContact O-C 3.59Å; I1383-M1402 HydrophobicContact CG1-CE 3.81Å; I1383-M1402 HydrophobicContact CG1-SD 4.03Å; L1400-M1402 HydrophobicContact CB-SD 4.36Å; M1402-S1404 WeakPolarHBondContact CB-OG 3.39Å; M1402-S1404 PolarHBondContact O-N 3.07Å; M1402-R1405 WeakPolarHBondContact O-CA 3.41Å; M1402-R1405 PolarHBondContact O-N 3.06Å; M1402-T1406 WeakPolarHBondContact CB-O 3.5Å; M1402-T1406 PolarHBondContact N-O 2.69Å
1403A87.3Confident90.7Very high43 Ų4329 Ų2936%0.35516%0.164SC..THydrogen-bonded Turntrans-61.4-25.8173.600000112.7E1382 R1384 R1405E1382-A1403 HydrophobicContact CB-CB 4.19Å; E1382-A1403 WeakPolarHBondContact O-CB 3.34Å; E1382-A1403 PolarHBondContact O-N 3.12Å; R1384-A1403 HydrophobicContact CG-CB 4.21Å; A1403-R1405 PolarHBondContact O-N 3.03Å; A1403-R1405 VanDerWaalsContact O-N 3.13Å
1404S83.2Confident91.3Very high64 Ų6428.2 Ų28.245%0.44816%0.161SC..THydrogen-bonded Turntrans-64.5-1.8168.554.80000114.4M1402 T1406M1402-S1404 WeakPolarHBondContact CB-OG 3.39Å; M1402-S1404 PolarHBondContact O-N 3.07Å; S1404-T1406 VanDerWaalsContact C-N 3.28Å; S1404-T1406 PolarHBondContact O-N 3.12Å; S1404-T1406 PolarHBondContact OG-OG1 2.86Å
1405R87.7Confident91.6Very high91 Ų9125.8 Ų25.834%0.34315%0.149SC..SBendtrans65.227-176.8-55.6-68.7-164.2157.35.6114.1W1242 E1243 D1245 M1402 A1403W1242-R1405 HydrophobicContact CD2-CB 4.18Å; W1242-R1405 HydrophobicContact CG-CB 4.09Å; W1242-R1405 HydrophobicContact CZ2-CB 4.35Å; W1242-R1405 HydrophobicContact CZ2-CG 3.92Å; E1243-R1405 PolarHBondContact N-O 3.24Å; E1243-R1405 WeakPolarHBondContact O-CB 3.27Å; D1245-R1405 VanDerWaalsContact CG-NH2 3.29Å; D1245-R1405 IonicContact OD1-CZ 2.78Å; D1245-R1405 IonicContact OD1-NH1 3.07Å; D1245-R1405 PolarHBondContact OD1-NH1 3.3Å; D1245-R1405 IonicContact OD1-NH2 2.61Å; D1245-R1405 PolarHBondContact OD1-NH2 2.61Å; D1245-R1405 VanDerWaalsContact OD1-NH2 3.15Å; D1245-R1405 IonicContact OD2-CZ 3.01Å; D1245-R1405 IonicContact OD2-NH1 2.77Å; D1245-R1405 PolarHBondContact OD2-NH1 3.07Å; D1245-R1405 IonicContact OD2-NH2 2.74Å; D1245-R1405 PolarHBondContact OD2-NH2 2.83Å; M1402-R1405 WeakPolarHBondContact O-CA 3.41Å; M1402-R1405 PolarHBondContact O-N 3.06Å; A1403-R1405 PolarHBondContact O-N 3.03Å; A1403-R1405 VanDerWaalsContact O-N 3.13Å
1406T90.4Very high91.7Very high22 Ų2227.1 Ų27.114%0.13516%0.164CC..  trans-115163.8172.4550000110.2L1241 M1402 S1404L1241-T1406 HydrophobicContact CB-CG2 4.32Å; M1402-T1406 WeakPolarHBondContact CB-O 3.5Å; M1402-T1406 PolarHBondContact N-O 2.69Å; S1404-T1406 VanDerWaalsContact C-N 3.28Å; S1404-T1406 PolarHBondContact O-N 3.12Å; S1404-T1406 PolarHBondContact OG-OG1 2.86Å
1407A91.8Very high91.6Very high9 Ų925.2 Ų25.27%0.07416%0.158CC..EExtended strand (participates in β ladder)trans-130.1135.6177.600000111.1E1399 L1400 F1401 N1483E1399-A1407 HydrophobicContact CG-CB 4.26Å; L1400-A1407 CarbonylContact O-C 3.44Å; L1400-A1407 VanDerWaalsContact O-CA 3.27Å; L1400-A1407 WeakPolarHBondContact O-CA 3.42Å; F1401-A1407 HydrophobicContact CD1-CB 3.81Å; F1401-A1407 HydrophobicContact CE1-CB 3.74Å; F1401-A1407 HydrophobicContact CG-CB 4.25Å; F1401-A1407 HydrophobicContact CZ-CB 4.12Å; A1407-N1483 PolarHBondContact O-ND2 3.32Å; A1407-N1483 VanDerWaalsContact O-ND2 3.1Å
1408V93.9Very high91.5Very high1 Ų125.2 Ų25.21%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-119.9140177.3640000110.2L1331 H1373 W1378 E1399 L1400 F1410L1331-V1408 HydrophobicContact CD1-CG2 3.54Å; H1373-V1408 HydrophobicContact CB-CG2 4.21Å; W1378-V1408 HydrophobicContact CH2-CB 4.46Å; W1378-V1408 HydrophobicContact CH2-CG1 4.31Å; W1378-V1408 HydrophobicContact CH2-CG2 3.85Å; W1378-V1408 HydrophobicContact CZ2-CB 4.05Å; W1378-V1408 HydrophobicContact CZ2-CG1 4Å; W1378-V1408 HydrophobicContact CZ2-CG2 3.85Å; E1399-V1408 CarbonylContact C-O 3.56Å; E1399-V1408 WeakPolarHBondContact CA-O 3.36Å; L1400-V1408 HydrophobicContact CB-CG1 4.09Å; L1400-V1408 HydrophobicContact CD1-CG1 4.26Å; L1400-V1408 PolarHBondContact N-O 2.75Å; L1400-V1408 PolarHBondContact O-N 2.75Å; V1408-F1410 HydrophobicContact CG1-CE2 3.98Å; V1408-F1410 HydrophobicContact CG1-CZ 4.35Å; V1408-F1410 HydrophobicContact CG2-CE1 4.14Å; V1408-F1410 HydrophobicContact CG2-CE2 3.94Å; V1408-F1410 HydrophobicContact CG2-CZ 3.6Å
1409M95.1Very high91.3Very high1 Ų129.2 Ų29.21%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-124131.9-175.7-176.9176.3168.400111.9I1332 R1389 A1397 L1398 E1399 T1481 N1483I1332-M1409 HydrophobicContact CB-CB 4.17Å; I1332-M1409 HydrophobicContact CB-CG 3.98Å; I1332-M1409 HydrophobicContact CB-SD 4.17Å; I1332-M1409 HydrophobicContact CG1-CE 4.43Å; I1332-M1409 HydrophobicContact CG1-CG 4.34Å; I1332-M1409 HydrophobicContact CG2-CE 4.38Å; I1332-M1409 HydrophobicContact CG2-SD 4.07Å; I1332-M1409 PolarHBondContact N-O 3.12Å; R1389-M1409 HydrophobicContact CB-CE 3.77Å; R1389-M1409 HydrophobicContact CG-CE 4.23Å; R1389-M1409 HydrophobicContact CG-SD 4.46Å; A1397-M1409 HydrophobicContact CB-CE 3.68Å; L1398-M1409 CarbonylContact O-C 3.56Å; L1398-M1409 VanDerWaalsContact O-CA 3.32Å; L1398-M1409 WeakPolarHBondContact O-CA 3.22Å; E1399-M1409 HydrophobicContact CB-CB 4.39Å; E1399-M1409 HydrophobicContact CB-CG 4.4Å; E1399-M1409 HydrophobicContact CG-CB 4.46Å; M1409-T1481 HydrophobicContact SD-CG2 3.88Å; M1409-N1483 HydrophobicContact CB-CB 3.92Å; M1409-N1483 HydrophobicContact SD-CB 4.27Å
1410F96.7Very high90.9Very high0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-121.9132.8177.1-59.2-67.9000110.6H1330 L1331 L1342 F1351 W1378 A1397 L1398 L1400 V1408 F1412H1330-F1410 CarbonylContact O-C 3.1Å; H1330-F1410 WeakPolarHBondContact O-CA 3.16Å; L1331-F1410 HydrophobicContact CB-CD1 4.37Å; L1331-F1410 HydrophobicContact CB-CE1 4.29Å; L1331-F1410 HydrophobicContact CD1-CD1 4.19Å; L1331-F1410 HydrophobicContact CD1-CE1 3.73Å; L1331-F1410 HydrophobicContact CD1-CZ 4.41Å; L1342-F1410 HydrophobicContact CD1-CD2 4.07Å; L1342-F1410 HydrophobicContact CD1-CE1 4.27Å; L1342-F1410 HydrophobicContact CD1-CE2 3.77Å; L1342-F1410 HydrophobicContact CD1-CG 4.44Å; L1342-F1410 HydrophobicContact CD1-CZ 3.88Å; F1351-F1410 HydrophobicContact CB-CE1 3.66Å; F1351-F1410 HydrophobicContact CB-CZ 3.79Å; F1351-F1410 HydrophobicContact CD1-CE1 4.2Å; F1351-F1410 AromaticContact CD2-CD1 3.92Å; F1351-F1410 HydrophobicContact CD2-CD1 3.92Å; F1351-F1410 AromaticContact CD2-CE1 3.49Å; F1351-F1410 HydrophobicContact CD2-CE1 3.49Å; F1351-F1410 VanDerWaalsContact CD2-CE1 3.49Å; F1351-F1410 HydrophobicContact CD2-CZ 4.41Å; F1351-F1410 HydrophobicContact CE2-CD1 4.3Å; F1351-F1410 HydrophobicContact CE2-CE1 4.17Å; F1351-F1410 HydrophobicContact CG-CD1 4.38Å; F1351-F1410 AromaticContact CG-CE1 3.5Å; F1351-F1410 HydrophobicContact CG-CE1 3.5Å; F1351-F1410 HydrophobicContact CG-CZ 4.17Å; W1378-F1410 AromaticContact CH2-CZ 3.85Å; W1378-F1410 HydrophobicContact CH2-CZ 3.85Å; W1378-F1410 HydrophobicContact CZ3-CE2 4.41Å; W1378-F1410 AromaticContact CZ3-CZ 3.78Å; W1378-F1410 HydrophobicContact CZ3-CZ 3.78Å; A1397-F1410 CarbonylContact C-O 3.52Å; A1397-F1410 WeakPolarHBondContact CA-O 3.41Å; A1397-F1410 WeakPolarHBondContact CB-O 3.16Å; L1398-F1410 PolarHBondContact N-O 2.82Å; L1398-F1410 PolarHBondContact O-N 2.77Å; L1400-F1410 HydrophobicContact CD1-CD2 3.7Å; L1400-F1410 HydrophobicContact CD1-CE2 3.88Å; V1408-F1410 HydrophobicContact CG1-CE2 3.98Å; V1408-F1410 HydrophobicContact CG1-CZ 4.35Å; V1408-F1410 HydrophobicContact CG2-CE1 4.14Å; V1408-F1410 HydrophobicContact CG2-CE2 3.94Å; V1408-F1410 HydrophobicContact CG2-CZ 3.6Å; F1410-F1412 HydrophobicContact CB-CE1 4.5Å; F1410-F1412 HydrophobicContact CB-CE2 3.82Å; F1410-F1412 HydrophobicContact CB-CZ 3.71Å; F1410-F1412 WeakPolarHBondContact O-CE2 3.48Å
1411A94.6Very high90.7Very high3 Ų334 Ų343%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-103.8134.4169.200000110.2C1329 H1330 I1332 Y1391 A1397C1329-A1411 CarbonylContact C-O 3.57Å; C1329-A1411 WeakPolarHBondContact CA-O 3.45Å; C1329-A1411 VanDerWaalsContact CB-O 3.29Å; C1329-A1411 WeakPolarHBondContact CB-O 3.37Å; H1330-A1411 HydrophobicContact CB-CB 4.5Å; H1330-A1411 PolarHBondContact N-O 2.93Å; H1330-A1411 PolarHBondContact O-N 2.96Å; I1332-A1411 HydrophobicContact CD1-CB 3.87Å; I1332-A1411 HydrophobicContact CG1-CB 3.84Å; Y1391-A1411 HydrophobicContact CD1-CB 3.45Å; Y1391-A1411 VanDerWaalsContact CD1-CB 3.45Å; Y1391-A1411 HydrophobicContact CE1-CB 3.86Å; Y1391-A1411 HydrophobicContact CG-CB 3.85Å; A1397-A1411 HydrophobicContact CB-CB 4.11Å
1412F95.8Very high90.6Very high6 Ų632.8 Ų32.83%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-108.6163.8-177.7-57.1-89.2000110.4T1327 C1329 L1342 R1396 L1398 F1410 D1414 A1417 V1418 V1421T1327-F1412 HydrophobicContact CG2-CD1 4.12Å; T1327-F1412 HydrophobicContact CG2-CE1 3.88Å; C1329-F1412 HydrophobicContact CB-CD1 3.62Å; C1329-F1412 HydrophobicContact CB-CE1 3.68Å; C1329-F1412 HydrophobicContact CB-CG 4.34Å; C1329-F1412 HydrophobicContact CB-CZ 4.44Å; L1342-F1412 HydrophobicContact CD2-CE1 3.78Å; L1342-F1412 HydrophobicContact CD2-CZ 3.79Å; R1396-F1412 WeakPolarHBondContact CD-O 3.3Å; R1396-F1412 PolarHBondContact O-N 2.9Å; L1398-F1412 HydrophobicContact CB-CE2 4.07Å; L1398-F1412 HydrophobicContact CD1-CE2 3.8Å; L1398-F1412 HydrophobicContact CD1-CZ 4.24Å; L1398-F1412 HydrophobicContact CG-CE2 3.96Å; F1410-F1412 HydrophobicContact CB-CE1 4.5Å; F1410-F1412 HydrophobicContact CB-CE2 3.82Å; F1410-F1412 HydrophobicContact CB-CZ 3.71Å; F1410-F1412 WeakPolarHBondContact O-CE2 3.48Å; F1412-D1414 VanDerWaalsContact C-N 3.29Å; F1412-D1414 PolarHBondContact O-N 3.11Å; F1412-A1417 HydrophobicContact CB-CB 3.98Å; F1412-A1417 HydrophobicContact CD1-CB 4.37Å; F1412-A1417 HydrophobicContact CG-CB 4.41Å; F1412-V1418 HydrophobicContact CB-CG2 4.15Å; F1412-V1418 HydrophobicContact CD2-CG2 3.62Å; F1412-V1418 HydrophobicContact CE2-CG2 4.42Å; F1412-V1418 HydrophobicContact CG-CG2 4.15Å; F1412-V1421 HydrophobicContact CD1-CG2 4.42Å; F1412-V1421 HydrophobicContact CE1-CG2 3.77Å; F1412-V1421 HydrophobicContact CZ-CB 4.45Å; F1412-V1421 HydrophobicContact CZ-CG1 4.2Å; F1412-V1421 HydrophobicContact CZ-CG2 4.09Å
1413G87.7Confident90.3Very high59 Ų5939.4 Ų39.461%0.60822%0.222SC*.SBendtrans-58.2-42178.900000112.6R1396R1396-G1413 PolarHBondContact NH1-O 2.85Å
1414D87.1Confident90.3Very high73 Ų7340.3 Ų40.339%0.3922%0.218SC..SBendtrans-145.6178.6-174.679.8-24000113.6F1412 S1416 A1417F1412-D1414 VanDerWaalsContact C-N 3.29Å; F1412-D1414 PolarHBondContact O-N 3.11Å; D1414-S1416 VanDerWaalsContact CG-OG 3.29Å; D1414-S1416 PolarHBondContact OD1-N 3.22Å; D1414-S1416 PolarHBondContact OD1-OG 3.2Å; D1414-S1416 WeakPolarHBondContact OD2-CB 3.33Å; D1414-S1416 PolarHBondContact OD2-N 3.47Å; D1414-S1416 PolarHBondContact OD2-OG 2.79Å; D1414-A1417 VanDerWaalsContact OD1-CB 3.24Å; D1414-A1417 WeakPolarHBondContact OD1-CB 3.06Å; D1414-A1417 PolarHBondContact OD1-N 3.38Å
1415Q87.4Confident90.7Very high44 Ų4437.4 Ų37.421%0.20620%0.198CC..Hα-helixtrans-72.6-23.6175.5-82.7-174.73400114D1299 L1301 Y1395 K1419D1299-Q1415 VanDerWaalsContact CG-NE2 3.26Å; D1299-Q1415 PolarHBondContact OD1-NE2 2.75Å; D1299-Q1415 PolarHBondContact OD2-NE2 3.03Å; L1301-Q1415 HydrophobicContact CD1-CG 4.49Å; L1301-Q1415 HydrophobicContact CD2-CB 3.79Å; L1301-Q1415 HydrophobicContact CD2-CG 3.94Å; L1301-Q1415 HydrophobicContact CG-CG 4.31Å; Y1395-Q1415 WeakPolarHBondContact O-CG 3.28Å; Q1415-K1419 PolarHBondContact O-N 3.44Å
1416S87.8Confident90.7Very high63 Ų6334.3 Ų34.344%0.44119%0.19SC..Hα-helixtrans-73.5-40.6-178.983.40000111.5D1414 V1418 K1419 Q1420D1414-S1416 VanDerWaalsContact CG-OG 3.29Å; D1414-S1416 PolarHBondContact OD1-N 3.22Å; D1414-S1416 PolarHBondContact OD1-OG 3.2Å; D1414-S1416 WeakPolarHBondContact OD2-CB 3.33Å; D1414-S1416 PolarHBondContact OD2-N 3.47Å; D1414-S1416 PolarHBondContact OD2-OG 2.79Å; S1416-V1418 VanDerWaalsContact C-N 3.33Å; S1416-V1418 PolarHBondContact O-N 2.56Å; S1416-K1419 WeakPolarHBondContact O-CB 3.47Å; S1416-K1419 PolarHBondContact O-N 2.61Å; S1416-Q1420 PolarHBondContact O-N 3.43Å
1417A88.7Confident90.6Very high8 Ų836 Ų367%0.06620%0.201CC..Hα-helixtrans-58.9-43172.200000111.7F1412 D1414 K1419 Q1420 V1421F1412-A1417 HydrophobicContact CB-CB 3.98Å; F1412-A1417 HydrophobicContact CD1-CB 4.37Å; F1412-A1417 HydrophobicContact CG-CB 4.41Å; D1414-A1417 VanDerWaalsContact OD1-CB 3.24Å; D1414-A1417 WeakPolarHBondContact OD1-CB 3.06Å; D1414-A1417 PolarHBondContact OD1-N 3.38Å; A1417-K1419 PolarHBondContact O-N 2.79Å; A1417-Q1420 PolarHBondContact O-N 3.41Å; A1417-V1421 WeakPolarHBondContact O-CG2 3.35Å; A1417-V1421 PolarHBondContact O-N 3.18Å
1418V92Very high90.6Very high0 Ų036.7 Ų36.70%020%0.204CC..Hα-helixtrans-56.2-47.8173.9171.90000111.5L1388 L1398 F1412 S1416 Q1420 V1421 V1422 L1444L1388-V1418 HydrophobicContact CD1-CG1 4.01Å; L1398-V1418 HydrophobicContact CD1-CG1 4.23Å; L1398-V1418 HydrophobicContact CD2-CG1 3.84Å; L1398-V1418 HydrophobicContact CG-CG1 4.01Å; F1412-V1418 HydrophobicContact CB-CG2 4.15Å; F1412-V1418 HydrophobicContact CD2-CG2 3.62Å; F1412-V1418 HydrophobicContact CE2-CG2 4.42Å; F1412-V1418 HydrophobicContact CG-CG2 4.15Å; S1416-V1418 VanDerWaalsContact C-N 3.33Å; S1416-V1418 PolarHBondContact O-N 2.56Å; V1418-Q1420 PolarHBondContact O-N 2.9Å; V1418-V1421 PolarHBondContact O-N 3.21Å; V1418-V1422 WeakPolarHBondContact O-CG2 3.33Å; V1418-V1422 PolarHBondContact O-N 2.94Å; V1418-L1444 HydrophobicContact CG1-CD2 3.75Å
1419K90.6Very high90.4Very high83 Ų8336.6 Ų36.636%0.36120%0.204SC..Hα-helixtrans-62.1-39.6176.7-82.4173.6162.6170.80112.6L1301 Q1415 S1416 A1417 K1423 L1444L1301-K1419 HydrophobicContact CD2-CD 3.77Å; L1301-K1419 VanDerWaalsContact CD2-CE 3.42Å; L1301-K1419 HydrophobicContact CD2-CG 3.86Å; L1301-K1419 WeakPolarHBondContact O-CE 3.27Å; L1301-K1419 PolarHBondContact O-NZ 2.88Å; Q1415-K1419 PolarHBondContact O-N 3.44Å; S1416-K1419 WeakPolarHBondContact O-CB 3.47Å; S1416-K1419 PolarHBondContact O-N 2.61Å; A1417-K1419 PolarHBondContact O-N 2.79Å; K1419-K1423 WeakPolarHBondContact O-CG 3.5Å; K1419-K1423 PolarHBondContact O-N 3.42Å; K1419-L1444 HydrophobicContact CG-CD1 4.13Å
1420Q88.4Confident90.2Very high106 Ų10636.9 Ų36.950%0.49521%0.205SC..Hα-helixtrans-67.3-43.1176.8-71.9-177.4-7.800112.2L1325 S1416 A1417 V1418 K1423 Q1424L1325-Q1420 HydrophobicContact CD2-CB 4.26Å; S1416-Q1420 PolarHBondContact O-N 3.43Å; A1417-Q1420 PolarHBondContact O-N 3.41Å; V1418-Q1420 PolarHBondContact O-N 2.9Å; Q1420-K1423 WeakPolarHBondContact O-CB 3.18Å; Q1420-K1423 PolarHBondContact O-N 3.42Å; Q1420-Q1424 PolarHBondContact O-N 2.93Å
1421V91.5Very high89.8Confident2 Ų237.1 Ų37.11%0.01221%0.208CC..Hα-helixtrans-63.6-48178171.60000111.2L1325 T1327 L1342 L1398 F1412 A1417 V1418 K1423 Q1424 L1425L1325-V1421 HydrophobicContact CD2-CB 4.34Å; L1325-V1421 HydrophobicContact CD2-CG2 3.74Å; T1327-V1421 HydrophobicContact CG2-CG2 3.73Å; L1342-V1421 HydrophobicContact CD2-CG1 3.93Å; L1342-V1421 HydrophobicContact CD2-CG2 4.19Å; L1398-V1421 HydrophobicContact CD1-CB 4.18Å; L1398-V1421 HydrophobicContact CD1-CG1 3.79Å; F1412-V1421 HydrophobicContact CD1-CG2 4.42Å; F1412-V1421 HydrophobicContact CE1-CG2 3.77Å; F1412-V1421 HydrophobicContact CZ-CB 4.45Å; F1412-V1421 HydrophobicContact CZ-CG1 4.2Å; F1412-V1421 HydrophobicContact CZ-CG2 4.09Å; A1417-V1421 WeakPolarHBondContact O-CG2 3.35Å; A1417-V1421 PolarHBondContact O-N 3.18Å; V1418-V1421 PolarHBondContact O-N 3.21Å; V1421-K1423 PolarHBondContact O-N 2.84Å; V1421-Q1424 PolarHBondContact O-N 3.49Å; V1421-L1425 HydrophobicContact CG1-CD1 3.81Å; V1421-L1425 HydrophobicContact CG1-CG 4.16Å; V1421-L1425 WeakPolarHBondContact O-CG 3.44Å; V1421-L1425 PolarHBondContact O-N 3.13Å
1422V90.9Very high89.3Confident2 Ų242.3 Ų42.31%0.01224%0.239CC..Hα-helixtrans-62.2-29.9179.2174.90000112.8L1398 V1418 Q1424 L1425 R1440 L1444L1398-V1422 HydrophobicContact CD1-CG2 3.67Å; L1398-V1422 HydrophobicContact CD2-CG2 3.73Å; L1398-V1422 HydrophobicContact CG-CG2 4.37Å; V1418-V1422 WeakPolarHBondContact O-CG2 3.33Å; V1418-V1422 PolarHBondContact O-N 2.94Å; V1422-Q1424 VanDerWaalsContact C-N 3.33Å; V1422-Q1424 PolarHBondContact O-N 2.95Å; V1422-L1425 PolarHBondContact O-N 3.45Å; V1422-R1440 HydrophobicContact CG1-CB 4.04Å; V1422-R1440 HydrophobicContact CG1-CG 4.48Å; V1422-R1440 WeakPolarHBondContact O-CD 3.37Å; V1422-L1444 HydrophobicContact CB-CD2 4.18Å; V1422-L1444 HydrophobicContact CB-CG 4.34Å; V1422-L1444 HydrophobicContact CG1-CD1 4.32Å; V1422-L1444 HydrophobicContact CG1-CD2 4.45Å; V1422-L1444 HydrophobicContact CG1-CG 4.1Å; V1422-L1444 HydrophobicContact CG2-CD2 3.8Å; V1422-L1444 HydrophobicContact CG2-CG 4.32Å
1423K87.9Confident88.7Confident148 Ų14845.9 Ų45.964%0.64325%0.254SS*.Hα-helixtrans-61.8-39172.7-76.8177.2178.7-170.20112.8K1419 Q1420 V1421 R1440K1419-K1423 WeakPolarHBondContact O-CG 3.5Å; K1419-K1423 PolarHBondContact O-N 3.42Å; Q1420-K1423 WeakPolarHBondContact O-CB 3.18Å; Q1420-K1423 PolarHBondContact O-N 3.42Å; V1421-K1423 PolarHBondContact O-N 2.84Å; K1423-R1440 PolarHBondContact O-NE 3.47Å; K1423-R1440 VanDerWaalsContact O-NE 3.09Å; K1423-R1440 PolarHBondContact O-NH2 3.23Å
1424Q87.2Confident88.6Confident61 Ų6143.9 Ų43.929%0.28523%0.229SC..Hα-helixtrans-82.7-20.6-179.2-61.6-62.6-18.300113.4S1323 L1325 V1344 Q1420 V1421 V1422S1323-Q1424 PolarHBondContact O-OE1 2.78Å; S1323-Q1424 VanDerWaalsContact OG-CD 3.31Å; S1323-Q1424 PolarHBondContact OG-NE2 3.27Å; S1323-Q1424 PolarHBondContact OG-OE1 3.09Å; L1325-Q1424 HydrophobicContact CB-CG 3.93Å; L1325-Q1424 HydrophobicContact CD2-CB 4.48Å; L1325-Q1424 HydrophobicContact CD2-CG 3.94Å; V1344-Q1424 HydrophobicContact CB-CB 4.33Å; V1344-Q1424 HydrophobicContact CG1-CB 3.7Å; Q1420-Q1424 PolarHBondContact O-N 2.93Å; V1421-Q1424 PolarHBondContact O-N 3.49Å; V1422-Q1424 VanDerWaalsContact C-N 3.33Å; V1422-Q1424 PolarHBondContact O-N 2.95Å
1425L90.8Very high88.4Confident3 Ų342.5 Ų42.52%0.01623%0.232CC..SBendtrans-75.4155.9174.4-69.1177.1000112.1V1344 V1349 I1383 I1386 L1400 V1421 V1422 R1440V1344-L1425 HydrophobicContact CG1-CD2 4.29Å; V1349-L1425 HydrophobicContact CG2-CD2 3.56Å; I1383-L1425 HydrophobicContact CD1-CD2 3.97Å; I1386-L1425 HydrophobicContact CD1-CB 3.7Å; I1386-L1425 HydrophobicContact CD1-CD1 3.86Å; I1386-L1425 HydrophobicContact CD1-CG 4.36Å; I1386-L1425 HydrophobicContact CG1-CD1 4.42Å; I1386-L1425 HydrophobicContact CG2-CD1 4.36Å; L1400-L1425 HydrophobicContact CD2-CD1 3.85Å; L1400-L1425 HydrophobicContact CD2-CD2 4.07Å; V1421-L1425 HydrophobicContact CG1-CD1 3.81Å; V1421-L1425 HydrophobicContact CG1-CG 4.16Å; V1421-L1425 WeakPolarHBondContact O-CG 3.44Å; V1421-L1425 PolarHBondContact O-N 3.13Å; V1422-L1425 PolarHBondContact O-N 3.45Å; L1425-R1440 PolarHBondContact O-NE 2.83Å
1426P89.1Confident88.3Confident27 Ų2741.1 Ų41.118%0.17523%0.226CC..  trans-64.2147.4177.227.3-36.1000111.5I1383 V1428I1383-P1426 HydrophobicContact CB-CG 4.1Å; I1383-P1426 HydrophobicContact CD1-CG 4Å; P1426-V1428 HydrophobicContact CB-CG1 4.26Å; P1426-V1428 HydrophobicContact CG-CG1 4.33Å; P1426-V1428 PolarHBondContact O-N 2.93Å
1427P88.2Confident88Confident58 Ų5840.9 Ų40.938%0.37723%0.227SC..SBendtrans-75.743-172.933.4-38.6000114G1429 Q1438 N1439 R1440P1427-G1429 PolarHBondContact O-N 3Å; P1427-Q1438 CarbonylContact O-C 3.59Å; P1427-Q1438 VanDerWaalsContact O-O 3.11Å; P1427-N1439 WeakPolarHBondContact O-CA 3.21Å; P1427-N1439 PolarHBondContact O-N 3.18Å; P1427-R1440 HydrophobicContact CB-CG 3.93Å
1428V90.2Very high87.9Confident22 Ų2245.3 Ų45.313%0.13325%0.247CC..  trans-74.2-9.3-176-61.10000114.4I1383 I1386 P1426 G1431 Q1438I1383-V1428 HydrophobicContact CG2-CG2 4.06Å; I1386-V1428 HydrophobicContact CD1-CG2 3.75Å; I1386-V1428 HydrophobicContact CG1-CG2 3.87Å; P1426-V1428 HydrophobicContact CB-CG1 4.26Å; P1426-V1428 HydrophobicContact CG-CG1 4.33Å; P1426-V1428 PolarHBondContact O-N 2.93Å; V1428-G1431 PolarHBondContact O-N 2.82Å; V1428-G1431 VanDerWaalsContact O-N 3.15Å; V1428-Q1438 WeakPolarHBondContact O-CG 3.18Å
1429G91.6Very high87.6Confident0 Ų046.9 Ų46.90%026%0.255CS..THydrogen-bonded Turntrans57.1-143.4-175.600000112.5I1386 P1427 G1431 N1439 S1443I1386-G1429 PolarHBondContact N-O 2.72Å; P1427-G1429 PolarHBondContact O-N 3Å; G1429-G1431 PolarHBondContact O-N 3.14Å; G1429-N1439 WeakPolarHBondContact CA-O 3.31Å; G1429-N1439 PolarHBondContact N-O 3.08Å; G1429-S1443 VanDerWaalsContact C-OG 3.32Å; G1429-S1443 WeakPolarHBondContact CA-OG 3.48Å; G1429-S1443 PolarHBondContact O-OG 2.88Å
1430V91Very high87.4Confident6 Ų646.6 Ų46.64%0.03625%0.252CS..THydrogen-bonded Turntrans-87.115172.9-67.10000113.4A1385 F1387 Y1434 I1436 L1450A1385-V1430 VanDerWaalsContact CB-C 3.47Å; A1385-V1430 WeakPolarHBondContact CB-O 3.33Å; F1387-V1430 HydrophobicContact CD1-CB 4.15Å; F1387-V1430 HydrophobicContact CD1-CG1 3.62Å; F1387-V1430 HydrophobicContact CE1-CB 3.54Å; F1387-V1430 HydrophobicContact CE1-CG1 3.52Å; F1387-V1430 HydrophobicContact CE2-CB 4.38Å; F1387-V1430 HydrophobicContact CG-CG1 4.25Å; F1387-V1430 HydrophobicContact CZ-CB 3.67Å; F1387-V1430 HydrophobicContact CZ-CG1 4.08Å; F1387-V1430 WeakPolarHBondContact CZ-O 3.5Å; V1430-Y1434 HydrophobicContact CG2-CD2 4.3Å; V1430-I1436 HydrophobicContact CG2-CB 4.06Å; V1430-I1436 HydrophobicContact CG2-CD1 4.03Å; V1430-I1436 HydrophobicContact CG2-CG2 4.18Å; V1430-L1450 HydrophobicContact CG1-CD1 4.15Å; V1430-L1450 HydrophobicContact CG1-CD2 3.79Å; V1430-L1450 HydrophobicContact CG2-CD2 4.03Å
1431G87Confident87.3Confident6 Ų644 Ų446%0.06224%0.239CC..  trans77.8165.6-178.400000114.5R1384 V1428 G1429 K1433R1384-G1431 WeakPolarHBondContact O-CA 3.47Å; V1428-G1431 PolarHBondContact O-N 2.82Å; V1428-G1431 VanDerWaalsContact O-N 3.15Å; G1429-G1431 PolarHBondContact O-N 3.14Å; G1431-K1433 PolarHBondContact O-N 3.43Å; G1431-K1433 VanDerWaalsContact O-N 3.15Å
1432V84.8Confident87.1Confident111 Ų11143.9 Ų43.967%0.67324%0.238SC*.G310 helixtrans-64.2-21.8-169.7-1440000114.7Y1434V1432-Y1434 VanDerWaalsContact C-N 3.3Å; V1432-Y1434 PolarHBondContact O-N 3.17Å
1433K83.7Confident87.2Confident81 Ų8143.9 Ų43.935%0.35224%0.238SC..G310 helixtrans-65.2-30.1-162.1-170.5173.8179.7-178.20113.8D1245 G1431 M1456 D1469D1245-K1433 PolarHBondContact O-NZ 3.47Å; G1431-K1433 PolarHBondContact O-N 3.43Å; G1431-K1433 VanDerWaalsContact O-N 3.15Å; K1433-M1456 WeakPolarHBondContact O-CE 3.28Å; K1433-D1469 IonicContact NZ-OD1 3.36Å
1434Y85.4Confident87.3Confident17 Ų1737.7 Ų37.77%0.06721%0.212CC..G310 helixtrans-100.16-167.2-53.8-28.7000114.9F1387 V1430 V1432 I1436 S1454 D1455 M1456 F1473 T1476 I1477F1387-Y1434 HydrophobicContact CE1-CD2 4.49Å; F1387-Y1434 AromaticContact CE1-CE2 3.82Å; F1387-Y1434 HydrophobicContact CE1-CE2 3.82Å; F1387-Y1434 HydrophobicContact CZ-CD2 4.42Å; F1387-Y1434 AromaticContact CZ-CE2 3.63Å; F1387-Y1434 HydrophobicContact CZ-CE2 3.63Å; V1430-Y1434 HydrophobicContact CG2-CD2 4.3Å; V1432-Y1434 VanDerWaalsContact C-N 3.3Å; V1432-Y1434 PolarHBondContact O-N 3.17Å; Y1434-I1436 PolarHBondContact O-N 3.24Å; Y1434-S1454 WeakPolarHBondContact O-CA 3.47Å; Y1434-S1454 PolarHBondContact O-OG 2.71Å; Y1434-D1455 PolarHBondContact O-N 3.2Å; Y1434-D1455 VanDerWaalsContact O-N 3.08Å; Y1434-M1456 HydrophobicContact CD1-CG 3.75Å; Y1434-M1456 HydrophobicContact CD1-SD 3.68Å; Y1434-M1456 HydrophobicContact CE1-SD 4.26Å; Y1434-M1456 HydrophobicContact CG-CG 4.29Å; Y1434-F1473 AromaticContact CD1-CD2 3.61Å; Y1434-F1473 HydrophobicContact CD1-CD2 3.61Å; Y1434-F1473 HydrophobicContact CD1-CE2 4.14Å; Y1434-F1473 HydrophobicContact CD2-CD2 4.13Å; Y1434-F1473 HydrophobicContact CD2-CE2 4.18Å; Y1434-F1473 HydrophobicContact CE1-CB 4.27Å; Y1434-F1473 AromaticContact CE1-CD2 3.64Å; Y1434-F1473 HydrophobicContact CE1-CD2 3.64Å; Y1434-F1473 HydrophobicContact CE1-CG 4.4Å; Y1434-F1473 HydrophobicContact CE2-CD2 4.12Å; Y1434-F1473 AromaticContact CG-CD2 3.89Å; Y1434-F1473 HydrophobicContact CG-CD2 3.89Å; Y1434-F1473 AromaticContact CG-CE2 3.97Å; Y1434-F1473 HydrophobicContact CG-CE2 3.97Å; Y1434-F1473 AromaticContact CZ-CD2 3.9Å; Y1434-T1476 WeakPolarHBondContact OH-CG2 3.43Å; Y1434-I1477 HydrophobicContact CE2-CG2 4.31Å
1435G81.4Confident87.4Confident44 Ų4435.4 Ų35.445%0.45420%0.202SC..SBendtrans71.85.3-177.500000114.8
1436I86Confident87Confident16 Ų1635.5 Ų35.58%0.08220%0.202CC..  trans-85.9143.7177.6-57.6173.8000109V1430 Y1434 Q1438 A1442 L1450 L1453V1430-I1436 HydrophobicContact CG2-CB 4.06Å; V1430-I1436 HydrophobicContact CG2-CD1 4.03Å; V1430-I1436 HydrophobicContact CG2-CG2 4.18Å; Y1434-I1436 PolarHBondContact O-N 3.24Å; I1436-Q1438 PolarHBondContact O-N 3.3Å; I1436-A1442 HydrophobicContact CG2-CB 4.03Å; I1436-L1450 HydrophobicContact CD1-CB 4.3Å; I1436-L1450 HydrophobicContact CD1-CD2 3.73Å; I1436-L1450 WeakPolarHBondContact CD1-O 3.5Å; I1436-L1453 HydrophobicContact CD1-CB 4.45Å; I1436-L1453 HydrophobicContact CG1-CB 4.21Å
1437A82.2Confident86.4Confident57 Ų5734.9 Ų34.947%0.47120%0.198SC..  trans-57.9136.3176.900000112.1N1439 A1442A1437-N1439 PolarHBondContact O-N 2.95Å; A1437-A1442 WeakPolarHBondContact O-CB 3.31Å
1438Q85.7Confident85.9Confident101 Ų10134.9 Ų34.947%0.47219%0.191SC..  trans-81.494.7174.2-66.4176.167.700108.7P1427 V1428 I1436P1427-Q1438 CarbonylContact O-C 3.59Å; P1427-Q1438 VanDerWaalsContact O-O 3.11Å; V1428-Q1438 WeakPolarHBondContact O-CG 3.18Å; I1436-Q1438 PolarHBondContact O-N 3.3Å
1439N85.9Confident85.6Confident33 Ų3334 Ų3418%0.17619%0.185CC..SBendtrans-149.1167.6173.862.239.2000110.5P1427 G1429 A1437 K1441 A1442P1427-N1439 WeakPolarHBondContact O-CA 3.21Å; P1427-N1439 PolarHBondContact O-N 3.18Å; G1429-N1439 WeakPolarHBondContact CA-O 3.31Å; G1429-N1439 PolarHBondContact N-O 3.08Å; A1437-N1439 PolarHBondContact O-N 2.95Å; N1439-K1441 VanDerWaalsContact C-N 3.28Å; N1439-K1441 PolarHBondContact O-N 3.01Å; N1439-K1441 PolarHBondContact OD1-N 2.89Å; N1439-A1442 PolarHBondContact O-N 3.38Å; N1439-A1442 WeakPolarHBondContact OD1-CB 3.44Å; N1439-A1442 PolarHBondContact OD1-N 2.77Å
1440R87Confident85.3Confident78 Ų7834.3 Ų34.329%0.29419%0.187SC..Hα-helixtrans-65.1-31.7-177.2-67.7-178.6178.798.5-13.8113.2E1315 V1422 K1423 L1425 P1427 A1442 S1443E1315-R1440 IonicContact OE2-NH1 3.89Å; E1315-R1440 PolarHBondContact OE2-NH1 3Å; V1422-R1440 HydrophobicContact CG1-CB 4.04Å; V1422-R1440 HydrophobicContact CG1-CG 4.48Å; V1422-R1440 WeakPolarHBondContact O-CD 3.37Å; K1423-R1440 PolarHBondContact O-NE 3.47Å; K1423-R1440 VanDerWaalsContact O-NE 3.09Å; K1423-R1440 PolarHBondContact O-NH2 3.23Å; L1425-R1440 PolarHBondContact O-NE 2.83Å; P1427-R1440 HydrophobicContact CB-CG 3.93Å; R1440-A1442 VanDerWaalsContact C-N 3.35Å; R1440-S1443 WeakPolarHBondContact O-CB 3.5Å; R1440-S1443 PolarHBondContact O-N 3.36Å
1441K85.7Confident84.9Confident50 Ų5037.2 Ų37.222%0.21720%0.199CC..Hα-helixtrans-62.5-41.3177.7-66.9162.8174.3173.10110.9W1310 E1313 N1439 S1443 L1444 M1445W1310-K1441 HydrophobicContact CD2-CD 3.77Å; W1310-K1441 HydrophobicContact CE3-CD 3.67Å; W1310-K1441 HydrophobicContact CE3-CG 4.48Å; W1310-K1441 HydrophobicContact CG-CD 4.42Å; W1310-K1441 HydrophobicContact CH2-CD 3.84Å; W1310-K1441 HydrophobicContact CH2-CG 4.3Å; W1310-K1441 HydrophobicContact CZ2-CD 4Å; W1310-K1441 VanDerWaalsContact CZ2-CE 3.48Å; W1310-K1441 HydrophobicContact CZ3-CB 4.33Å; W1310-K1441 HydrophobicContact CZ3-CD 3.68Å; W1310-K1441 HydrophobicContact CZ3-CG 4.11Å; E1313-K1441 IonicContact OE2-NZ 3.63Å; E1313-K1441 PolarHBondContact OE2-NZ 3.29Å; N1439-K1441 VanDerWaalsContact C-N 3.28Å; N1439-K1441 PolarHBondContact O-N 3.01Å; N1439-K1441 PolarHBondContact OD1-N 2.89Å; K1441-S1443 VanDerWaalsContact C-N 3.28Å; K1441-S1443 PolarHBondContact O-N 3.35Å; K1441-L1444 PolarHBondContact O-N 2.75Å; K1441-M1445 PolarHBondContact O-N 3.24Å
1442A88.4Confident84.6Confident1 Ų143.2 Ų43.21%0.00822%0.223CC..Hα-helixtrans-60.3-34.5176.100000113.2I1436 A1437 N1439 R1440 L1444 M1445I1436-A1442 HydrophobicContact CG2-CB 4.03Å; A1437-A1442 WeakPolarHBondContact O-CB 3.31Å; N1439-A1442 PolarHBondContact O-N 3.38Å; N1439-A1442 WeakPolarHBondContact OD1-CB 3.44Å; N1439-A1442 PolarHBondContact OD1-N 2.77Å; R1440-A1442 VanDerWaalsContact C-N 3.35Å; A1442-L1444 PolarHBondContact O-N 3.18Å; A1442-M1445 HydrophobicContact CB-SD 4.37Å; A1442-M1445 PolarHBondContact O-N 2.87Å
1443S92.1Very high84.6Confident1 Ų140.8 Ų40.81%0.00721%0.206CC..Hα-helixtrans-67.2-19.2175.4-59.50000114.1I1386 L1388 G1429 R1440 K1441I1386-S1443 WeakPolarHBondContact O-CA 3.5Å; I1386-S1443 WeakPolarHBondContact O-CB 3.28Å; I1386-S1443 PolarHBondContact O-OG 3.38Å; L1388-S1443 WeakPolarHBondContact CB-O 3.37Å; L1388-S1443 PolarHBondContact N-O 3.45Å; G1429-S1443 VanDerWaalsContact C-OG 3.32Å; G1429-S1443 WeakPolarHBondContact CA-OG 3.48Å; G1429-S1443 PolarHBondContact O-OG 2.88Å; R1440-S1443 WeakPolarHBondContact O-CB 3.5Å; R1440-S1443 PolarHBondContact O-N 3.36Å; K1441-S1443 VanDerWaalsContact C-N 3.28Å; K1441-S1443 PolarHBondContact O-N 3.35Å
1444L90.9Very high84.7Confident18 Ų1837.1 Ų37.19%0.09419%0.191CC..THydrogen-bonded Turntrans-102.42.1178.8-65.4172.5000113.3V1302 L1388 V1418 K1419 V1422 K1441 A1442V1302-L1444 HydrophobicContact CG2-CB 3.84Å; L1388-L1444 WeakPolarHBondContact CD2-O 3.38Å; V1418-L1444 HydrophobicContact CG1-CD2 3.75Å; K1419-L1444 HydrophobicContact CG-CD1 4.13Å; V1422-L1444 HydrophobicContact CB-CD2 4.18Å; V1422-L1444 HydrophobicContact CB-CG 4.34Å; V1422-L1444 HydrophobicContact CG1-CD1 4.32Å; V1422-L1444 HydrophobicContact CG1-CD2 4.45Å; V1422-L1444 HydrophobicContact CG1-CG 4.1Å; V1422-L1444 HydrophobicContact CG2-CD2 3.8Å; V1422-L1444 HydrophobicContact CG2-CG 4.32Å; K1441-L1444 PolarHBondContact O-N 2.75Å; A1442-L1444 PolarHBondContact O-N 3.18Å
1445M88.2Confident84.7Confident14 Ų1438.6 Ų38.67%0.06920%0.2CC..  trans-71.3143.7-178.1-77.4178.4-177.900112.4V1307 K1441 A1442 Q1449 L1450 L1453V1307-M1445 HydrophobicContact CG2-CE 4.44Å; K1441-M1445 PolarHBondContact O-N 3.24Å; A1442-M1445 HydrophobicContact CB-SD 4.37Å; A1442-M1445 PolarHBondContact O-N 2.87Å; M1445-Q1449 HydrophobicContact CB-CB 4.01Å; M1445-Q1449 HydrophobicContact CG-CB 4.16Å; M1445-Q1449 HydrophobicContact SD-CB 4.42Å; M1445-L1450 HydrophobicContact CB-CD2 3.69Å; M1445-L1450 HydrophobicContact CB-CG 3.79Å; M1445-L1450 HydrophobicContact CG-CD2 4.46Å; M1445-L1450 HydrophobicContact SD-CD2 4.02Å; M1445-L1453 HydrophobicContact CE-CD1 3.57Å; M1445-L1453 HydrophobicContact SD-CD1 3.58Å; M1445-L1453 VanDerWaalsContact SD-CD1 3.58Å
1446T82.6Confident84.8Confident5 Ų536.7 Ų36.73%0.03118%0.179CC..  trans-72.6160.2173.472.90000111.1E1300 R1448 Q1449 L1450E1300-T1446 HydrophobicContact CB-CG2 4.44Å; E1300-T1446 HydrophobicContact CG-CG2 4.22Å; T1446-R1448 PolarHBondContact O-N 2.97Å; T1446-Q1449 PolarHBondContact O-N 3.05Å; T1446-Q1449 WeakPolarHBondContact OG1-CG 3.2Å; T1446-L1450 PolarHBondContact O-N 3.43Å
1447P77.5Confident84.6Confident13 Ų1336.6 Ų36.68%0.08418%0.179CC..Hα-helixtrans-52.6-31.5175.9-28.635.3000114.2Y1395 F1451 I1477 F1660Y1395-P1447 HydrophobicContact CE1-CG 4.35Å; Y1395-P1447 WeakPolarHBondContact OH-CD 3.46Å; P1447-F1451 WeakPolarHBondContact O-CB 3.22Å; P1447-F1451 PolarHBondContact O-N 3.19Å; P1447-I1477 WeakPolarHBondContact CB-O 3.15Å; P1447-I1477 VanDerWaalsContact CG-O 3.24Å; P1447-I1477 WeakPolarHBondContact CG-O 3.49Å; P1447-F1660 HydrophobicContact CB-CD1 4.07Å; P1447-F1660 HydrophobicContact CB-CE1 4.49Å
1448R76.9Confident84.7Confident59 Ų5938 Ų3822%0.22318%0.176CC..Hα-helixtrans-62.8-50.4175.1-65.7-179.5-178.3-176.42111.7T1446 F1451 K1452 F1660T1446-R1448 PolarHBondContact O-N 2.97Å; R1448-F1451 PolarHBondContact O-N 2.9Å; R1448-K1452 WeakPolarHBondContact O-CG 3.31Å; R1448-K1452 PolarHBondContact O-N 3.2Å; R1448-F1660 HydrophobicContact CB-CE1 4.48Å; R1448-F1660 HydrophobicContact CG-CB 4.04Å; R1448-F1660 HydrophobicContact CG-CD1 3.54Å; R1448-F1660 HydrophobicContact CG-CD2 3.49Å; R1448-F1660 VanDerWaalsContact CG-CD2 3.49Å; R1448-F1660 HydrophobicContact CG-CE1 3.71Å; R1448-F1660 HydrophobicContact CG-CE2 3.67Å; R1448-F1660 HydrophobicContact CG-CG 3.41Å; R1448-F1660 VanDerWaalsContact CG-CG 3.41Å; R1448-F1660 HydrophobicContact CG-CZ 3.77Å; R1448-F1660 VanDerWaalsContact NE-CG 3.31Å
1449Q83.6Confident84.7Confident2 Ų235.5 Ų35.51%0.00916%0.164CC..Hα-helixtrans-68.1-44.3-174.8-65.1163.6-7.200109.7E1300 V1302 V1307 M1445 T1446 F1451 K1452 L1453E1300-Q1449 PolarHBondContact OE2-NE2 3.1Å; V1302-Q1449 PolarHBondContact O-NE2 3.45Å; V1307-Q1449 HydrophobicContact CG2-CG 4.26Å; M1445-Q1449 HydrophobicContact CB-CB 4.01Å; M1445-Q1449 HydrophobicContact CG-CB 4.16Å; M1445-Q1449 HydrophobicContact SD-CB 4.42Å; T1446-Q1449 PolarHBondContact O-N 3.05Å; T1446-Q1449 WeakPolarHBondContact OG1-CG 3.2Å; Q1449-F1451 PolarHBondContact O-N 3.23Å; Q1449-K1452 PolarHBondContact O-N 2.94Å; Q1449-L1453 WeakPolarHBondContact O-CG 3.42Å; Q1449-L1453 PolarHBondContact O-N 2.77Å; Q1449-L1453 VanDerWaalsContact O-N 3.11Å
1450L84.9Confident84.4Confident7 Ų735.1 Ų35.14%0.03716%0.16CC..Hα-helixtrans-59.8-42.5173.5-66.2177.7000112.6F1387 V1430 I1436 M1445 T1446 S1454 I1477F1387-L1450 HydrophobicContact CD1-CD1 4.42Å; V1430-L1450 HydrophobicContact CG1-CD1 4.15Å; V1430-L1450 HydrophobicContact CG1-CD2 3.79Å; V1430-L1450 HydrophobicContact CG2-CD2 4.03Å; I1436-L1450 HydrophobicContact CD1-CB 4.3Å; I1436-L1450 HydrophobicContact CD1-CD2 3.73Å; I1436-L1450 WeakPolarHBondContact CD1-O 3.5Å; M1445-L1450 HydrophobicContact CB-CD2 3.69Å; M1445-L1450 HydrophobicContact CB-CG 3.79Å; M1445-L1450 HydrophobicContact CG-CD2 4.46Å; M1445-L1450 HydrophobicContact SD-CD2 4.02Å; T1446-L1450 PolarHBondContact O-N 3.43Å; L1450-S1454 WeakPolarHBondContact O-CB 3.28Å; L1450-S1454 PolarHBondContact O-N 2.77Å; L1450-I1477 HydrophobicContact CB-CB 4.36Å; L1450-I1477 HydrophobicContact CB-CG2 4.2Å; L1450-I1477 HydrophobicContact CD1-CB 4.49Å; L1450-I1477 HydrophobicContact CD1-CG2 4.4Å
1451F82.6Confident84Confident68 Ų6836.3 Ų36.330%0.29817%0.169SC..Hα-helixtrans-65.9-42.3177-173.5-102.9000112.6P1447 R1448 Q1449 L1453 P1457 F1473 L1474 I1477P1447-F1451 WeakPolarHBondContact O-CB 3.22Å; P1447-F1451 PolarHBondContact O-N 3.19Å; R1448-F1451 PolarHBondContact O-N 2.9Å; Q1449-F1451 PolarHBondContact O-N 3.23Å; F1451-L1453 VanDerWaalsContact C-N 3.33Å; F1451-L1453 PolarHBondContact O-N 2.75Å; F1451-P1457 HydrophobicContact CD2-CG 4.45Å; F1451-P1457 HydrophobicContact CE2-CG 3.77Å; F1451-P1457 HydrophobicContact CZ-CG 4Å; F1451-F1473 HydrophobicContact CD2-CE1 4.16Å; F1451-F1473 HydrophobicContact CD2-CZ 4.34Å; F1451-F1473 HydrophobicContact CE2-CE1 4.38Å; F1451-L1474 HydrophobicContact CD2-CD2 4.04Å; F1451-L1474 HydrophobicContact CE2-CD2 3.79Å; F1451-I1477 HydrophobicContact CB-CD1 3.77Å; F1451-I1477 HydrophobicContact CD2-CD1 3.74Å; F1451-I1477 HydrophobicContact CG-CD1 4.23Å
1452K80.9Confident83.9Confident131 Ų13140.7 Ų40.757%0.5719%0.188SC*.Hα-helixtrans-61.8-36.7178.9-79.8178.5170.5-177.80113.2E1304 R1448 Q1449E1304-K1452 IonicContact OE1-NZ 3.37Å; E1304-K1452 PolarHBondContact OE1-NZ 2.95Å; E1304-K1452 IonicContact OE2-NZ 2.75Å; E1304-K1452 PolarHBondContact OE2-NZ 2.89Å; R1448-K1452 WeakPolarHBondContact O-CG 3.31Å; R1448-K1452 PolarHBondContact O-N 3.2Å; Q1449-K1452 PolarHBondContact O-N 2.94Å
1453L84.9Confident83.5Confident61 Ų6148.2 Ų48.232%0.31922%0.216SC..Hα-helixtrans-92.6-19-175.4-65.1173.4000114.2V1307 I1436 M1445 Q1449 F1451V1307-L1453 HydrophobicContact CG1-CD1 3.89Å; V1307-L1453 HydrophobicContact CG1-CD2 4.35Å; V1307-L1453 HydrophobicContact CG1-CG 4.42Å; I1436-L1453 HydrophobicContact CD1-CB 4.45Å; I1436-L1453 HydrophobicContact CG1-CB 4.21Å; M1445-L1453 HydrophobicContact CE-CD1 3.57Å; M1445-L1453 HydrophobicContact SD-CD1 3.58Å; M1445-L1453 VanDerWaalsContact SD-CD1 3.58Å; Q1449-L1453 WeakPolarHBondContact O-CG 3.42Å; Q1449-L1453 PolarHBondContact O-N 2.77Å; Q1449-L1453 VanDerWaalsContact O-N 3.11Å; F1451-L1453 VanDerWaalsContact C-N 3.33Å; F1451-L1453 PolarHBondContact O-N 2.75Å
1454S86.3Confident83.1Confident3 Ų353.7 Ų53.72%0.02124%0.242CC..  trans-68.9141.6-178.1179.40000112.4Y1434 L1450 M1456 Q1458 F1473Y1434-S1454 WeakPolarHBondContact O-CA 3.47Å; Y1434-S1454 PolarHBondContact O-OG 2.71Å; L1450-S1454 WeakPolarHBondContact O-CB 3.28Å; L1450-S1454 PolarHBondContact O-N 2.77Å; S1454-M1456 VanDerWaalsContact C-N 3.34Å; S1454-M1456 VanDerWaalsContact OG-CB 3.3Å; S1454-M1456 WeakPolarHBondContact OG-CB 3.33Å; S1454-M1456 WeakPolarHBondContact OG-CG 3.47Å; S1454-M1456 PolarHBondContact OG-N 2.76Å; S1454-M1456 VanDerWaalsContact OG-N 3.12Å; S1454-Q1458 PolarHBondContact O-OE1 2.87Å; S1454-F1473 VanDerWaalsContact CB-CZ 3.48Å; S1454-F1473 VanDerWaalsContact OG-CE2 3.23Å; S1454-F1473 WeakPolarHBondContact OG-CE2 3.43Å; S1454-F1473 WeakPolarHBondContact OG-CZ 2.93Å
1455D85.6Confident82.8Confident49 Ų4954.3 Ų54.326%0.26225%0.245SC..SBendtrans-88.4-2171.372.74000113.6Y1434 Q1458 K1459Y1434-D1455 PolarHBondContact O-N 3.2Å; Y1434-D1455 VanDerWaalsContact O-N 3.08Å; D1455-Q1458 VanDerWaalsContact C-OE1 3.27Å; D1455-Q1458 PolarHBondContact O-N 2.99Å; D1455-Q1458 PolarHBondContact O-OE1 3.23Å; D1455-K1459 VanDerWaalsContact CG-CE 3.43Å; D1455-K1459 WeakPolarHBondContact O-CG 3.43Å; D1455-K1459 PolarHBondContact O-N 2.9Å; D1455-K1459 WeakPolarHBondContact OD1-CD 3.46Å; D1455-K1459 WeakPolarHBondContact OD1-CE 3.43Å; D1455-K1459 IonicContact OD1-NZ 3.85Å; D1455-K1459 PolarHBondContact OD1-NZ 3.45Å; D1455-K1459 WeakPolarHBondContact OD2-CE 3.48Å; D1455-K1459 IonicContact OD2-NZ 2.73Å; D1455-K1459 PolarHBondContact OD2-NZ 2.87Å
1456M83.9Confident82.4Confident3 Ų354.3 Ų54.32%0.01525%0.246CC..Hα-helixtrans-58.9-40.1-178.7-64.6-8891.200113.9K1433 Y1434 S1454 Q1458 K1459 W1460 I1465 F1473K1433-M1456 WeakPolarHBondContact O-CE 3.28Å; Y1434-M1456 HydrophobicContact CD1-CG 3.75Å; Y1434-M1456 HydrophobicContact CD1-SD 3.68Å; Y1434-M1456 HydrophobicContact CE1-SD 4.26Å; Y1434-M1456 HydrophobicContact CG-CG 4.29Å; S1454-M1456 VanDerWaalsContact C-N 3.34Å; S1454-M1456 VanDerWaalsContact OG-CB 3.3Å; S1454-M1456 WeakPolarHBondContact OG-CB 3.33Å; S1454-M1456 WeakPolarHBondContact OG-CG 3.47Å; S1454-M1456 PolarHBondContact OG-N 2.76Å; S1454-M1456 VanDerWaalsContact OG-N 3.12Å; M1456-Q1458 VanDerWaalsContact C-N 3.34Å; M1456-Q1458 PolarHBondContact O-N 3Å; M1456-K1459 HydrophobicContact CE-CB 4.45Å; M1456-K1459 HydrophobicContact CE-CD 3.44Å; M1456-K1459 VanDerWaalsContact CE-CD 3.44Å; M1456-K1459 PolarHBondContact O-N 3.25Å; M1456-W1460 VanDerWaalsContact O-CB 3.28Å; M1456-W1460 WeakPolarHBondContact O-CB 3.11Å; M1456-W1460 PolarHBondContact O-N 2.84Å; M1456-I1465 HydrophobicContact CB-CD1 4.16Å; M1456-I1465 HydrophobicContact CE-CD1 3.99Å; M1456-I1465 HydrophobicContact CE-CG2 4.12Å; M1456-I1465 HydrophobicContact SD-CD1 3.71Å; M1456-F1473 HydrophobicContact CB-CD1 3.62Å; M1456-F1473 HydrophobicContact CB-CD2 4.08Å; M1456-F1473 HydrophobicContact CB-CE1 3.59Å; M1456-F1473 HydrophobicContact CB-CE2 4.04Å; M1456-F1473 HydrophobicContact CB-CG 3.87Å; M1456-F1473 HydrophobicContact CB-CZ 3.8Å; M1456-F1473 HydrophobicContact CG-CD1 4.1Å; M1456-F1473 HydrophobicContact CG-CD2 3.65Å; M1456-F1473 HydrophobicContact CG-CE1 4.23Å; M1456-F1473 HydrophobicContact CG-CE2 3.77Å; M1456-F1473 HydrophobicContact CG-CG 3.81Å; M1456-F1473 HydrophobicContact CG-CZ 4.07Å; M1456-F1473 HydrophobicContact SD-CB 4.46Å; M1456-F1473 HydrophobicContact SD-CD2 4.43Å; M1456-F1473 HydrophobicContact SD-CG 4.38Å
1457P81.8Confident82Confident14 Ų1456.2 Ų56.29%0.09126%0.256CS..Hα-helixtrans-59.3-42.4174.8-2435.1000112.8F1451 W1460 Q1461 Y1470F1451-P1457 HydrophobicContact CD2-CG 4.45Å; F1451-P1457 HydrophobicContact CE2-CG 3.77Å; F1451-P1457 HydrophobicContact CZ-CG 4Å; P1457-W1460 PolarHBondContact O-N 2.95Å; P1457-Q1461 VanDerWaalsContact O-CG 3.28Å; P1457-Q1461 WeakPolarHBondContact O-CG 2.99Å; P1457-Q1461 PolarHBondContact O-N 2.79Å; P1457-Y1470 HydrophobicContact CB-CE2 4.33Å; P1457-Y1470 HydrophobicContact CG-CE2 4.29Å
1458Q83.9Confident82.4Confident86 Ų8656.9 Ų56.940%0.40226%0.258SS..Hα-helixtrans-70.3-42.9179.2-60.284.6-23.700110.7S1454 D1455 M1456 W1460 Q1461 K1462S1454-Q1458 PolarHBondContact O-OE1 2.87Å; D1455-Q1458 VanDerWaalsContact C-OE1 3.27Å; D1455-Q1458 PolarHBondContact O-N 2.99Å; D1455-Q1458 PolarHBondContact O-OE1 3.23Å; M1456-Q1458 VanDerWaalsContact C-N 3.34Å; M1456-Q1458 PolarHBondContact O-N 3Å; Q1458-W1460 VanDerWaalsContact C-N 3.29Å; Q1458-W1460 PolarHBondContact O-N 2.8Å; Q1458-Q1461 WeakPolarHBondContact O-CB 3.28Å; Q1458-Q1461 PolarHBondContact O-N 3.21Å; Q1458-K1462 WeakPolarHBondContact O-CB 3.42Å; Q1458-K1462 VanDerWaalsContact O-CG 3.28Å; Q1458-K1462 WeakPolarHBondContact O-CG 3.42Å; Q1458-K1462 PolarHBondContact O-N 2.76Å
1459K85.5Confident82.9Confident49 Ų4954.7 Ų54.721%0.21325%0.251CS..Hα-helixtrans-60.6-39.4173.5-73.6179.6169.6152.10112D1455 M1456 K1462 R1463 E1464 I1465D1455-K1459 VanDerWaalsContact CG-CE 3.43Å; D1455-K1459 WeakPolarHBondContact O-CG 3.43Å; D1455-K1459 PolarHBondContact O-N 2.9Å; D1455-K1459 WeakPolarHBondContact OD1-CD 3.46Å; D1455-K1459 WeakPolarHBondContact OD1-CE 3.43Å; D1455-K1459 IonicContact OD1-NZ 3.85Å; D1455-K1459 PolarHBondContact OD1-NZ 3.45Å; D1455-K1459 WeakPolarHBondContact OD2-CE 3.48Å; D1455-K1459 IonicContact OD2-NZ 2.73Å; D1455-K1459 PolarHBondContact OD2-NZ 2.87Å; M1456-K1459 HydrophobicContact CE-CB 4.45Å; M1456-K1459 HydrophobicContact CE-CD 3.44Å; M1456-K1459 VanDerWaalsContact CE-CD 3.44Å; M1456-K1459 PolarHBondContact O-N 3.25Å; K1459-K1462 CarbonylContact O-C 3.55Å; K1459-K1462 PolarHBondContact O-N 2.7Å; K1459-R1463 PolarHBondContact O-N 2.94Å; K1459-R1463 VanDerWaalsContact O-N 3.11Å; K1459-E1464 HydrophobicContact CB-CB 4.14Å; K1459-E1464 HydrophobicContact CG-CB 4.5Å; K1459-E1464 WeakPolarHBondContact CG-OE2 3.07Å; K1459-E1464 WeakPolarHBondContact O-CB 3.11Å; K1459-E1464 PolarHBondContact O-N 3.12Å; K1459-I1465 HydrophobicContact CB-CD1 4.38Å; K1459-I1465 HydrophobicContact CB-CG1 4.23Å; K1459-I1465 HydrophobicContact CB-CG2 4.31Å
1460W79.9Confident83Confident26 Ų2654.9 Ų54.910%0.09825%0.251CS..Hα-helixtrans-68.6-43.5176.1174.167.2000112M1456 P1457 Q1458 K1462 R1463 I1465 N1467 Y1470 I1646 H1647M1456-W1460 VanDerWaalsContact O-CB 3.28Å; M1456-W1460 WeakPolarHBondContact O-CB 3.11Å; M1456-W1460 PolarHBondContact O-N 2.84Å; P1457-W1460 PolarHBondContact O-N 2.95Å; Q1458-W1460 VanDerWaalsContact C-N 3.29Å; Q1458-W1460 PolarHBondContact O-N 2.8Å; W1460-K1462 VanDerWaalsContact C-N 3.3Å; W1460-K1462 PolarHBondContact O-N 2.93Å; W1460-R1463 PolarHBondContact O-N 2.85Å; W1460-I1465 HydrophobicContact CB-CD1 4.02Å; W1460-I1465 HydrophobicContact CB-CG1 3.8Å; W1460-N1467 PolarHBondContact NE1-OD1 2.85Å; W1460-Y1470 HydrophobicContact CB-CD1 4.48Å; W1460-Y1470 HydrophobicContact CB-CD2 3.67Å; W1460-Y1470 HydrophobicContact CB-CE2 4.18Å; W1460-Y1470 HydrophobicContact CB-CG 3.85Å; W1460-Y1470 AromaticContact CD1-CG 3.84Å; W1460-Y1470 AromaticContact CD2-CD1 3.63Å; W1460-Y1470 HydrophobicContact CD2-CD1 3.63Å; W1460-Y1470 HydrophobicContact CD2-CD2 4.31Å; W1460-Y1470 AromaticContact CD2-CE1 3.8Å; W1460-Y1470 HydrophobicContact CD2-CE1 3.8Å; W1460-Y1470 HydrophobicContact CD2-CE2 4.48Å; W1460-Y1470 AromaticContact CD2-CG 3.9Å; W1460-Y1470 HydrophobicContact CD2-CG 3.9Å; W1460-Y1470 AromaticContact CE2-CD1 3.97Å; W1460-Y1470 HydrophobicContact CE3-CD1 4.02Å; W1460-Y1470 AromaticContact CE3-CE1 3.67Å; W1460-Y1470 HydrophobicContact CE3-CE1 3.67Å; W1460-Y1470 HydrophobicContact CE3-CE2 4.32Å; W1460-Y1470 HydrophobicContact CE3-CG 4.47Å; W1460-Y1470 AromaticContact CE3-CZ 3.84Å; W1460-Y1470 AromaticContact CG-CD1 3.79Å; W1460-Y1470 HydrophobicContact CG-CD1 3.79Å; W1460-Y1470 AromaticContact CG-CD2 3.87Å; W1460-Y1470 HydrophobicContact CG-CD2 3.87Å; W1460-Y1470 HydrophobicContact CG-CE1 4.31Å; W1460-Y1470 HydrophobicContact CG-CE2 4.4Å; W1460-Y1470 AromaticContact CG-CG 3.54Å; W1460-Y1470 HydrophobicContact CG-CG 3.54Å; W1460-Y1470 HydrophobicContact CZ3-CE1 4.15Å; W1460-I1646 HydrophobicContact CH2-CB 3.43Å; W1460-I1646 VanDerWaalsContact CH2-CB 3.43Å; W1460-I1646 HydrophobicContact CH2-CG2 3.36Å; W1460-I1646 HydrophobicContact CZ2-CB 3.69Å; W1460-I1646 HydrophobicContact CZ2-CD1 4.16Å; W1460-I1646 HydrophobicContact CZ2-CG2 3.74Å; W1460-I1646 HydrophobicContact CZ3-CG2 4.06Å; W1460-H1647 AromaticContact CZ3-CD2 3.76Å
1461Q78.4Confident83Confident102 Ų10256.4 Ų56.448%0.47726%0.259SS..Hα-helixtrans-54.8-44.2170.6-72.216321.600112.2P1457 Q1458 R1463 H1647P1457-Q1461 VanDerWaalsContact O-CG 3.28Å; P1457-Q1461 WeakPolarHBondContact O-CG 2.99Å; P1457-Q1461 PolarHBondContact O-N 2.79Å; Q1458-Q1461 WeakPolarHBondContact O-CB 3.28Å; Q1458-Q1461 PolarHBondContact O-N 3.21Å; Q1461-R1463 PolarHBondContact O-N 2.99Å; Q1461-H1647 VanDerWaalsContact CG-CD2 3.42Å; Q1461-H1647 WeakPolarHBondContact CG-CD2 3.34Å; Q1461-H1647 PolarHBondContact NE2-NE2 2.83Å
1462K84.1Confident83.2Confident143 Ų14353.3 Ų53.362%0.62225%0.246SC*.THydrogen-bonded Turntrans-75.4-1.6177.6-67.5176.4-176.91800114Q1458 K1459 W1460 E1464Q1458-K1462 WeakPolarHBondContact O-CB 3.42Å; Q1458-K1462 VanDerWaalsContact O-CG 3.28Å; Q1458-K1462 WeakPolarHBondContact O-CG 3.42Å; Q1458-K1462 PolarHBondContact O-N 2.76Å; K1459-K1462 CarbonylContact O-C 3.55Å; K1459-K1462 PolarHBondContact O-N 2.7Å; W1460-K1462 VanDerWaalsContact C-N 3.3Å; W1460-K1462 PolarHBondContact O-N 2.93Å; K1462-E1464 HydrophobicContact CB-CG 3.93Å; K1462-E1464 WeakPolarHBondContact CD-OE1 3.35Å; K1462-E1464 IonicContact NZ-OE1 2.69Å; K1462-E1464 PolarHBondContact O-N 3.41Å
1463R78.7Confident83.6Confident158 Ų15847.1 Ų47.160%0.59622%0.219SC*.THydrogen-bonded Turntrans6222.6-176.6-49.4176.2179.3173.9-2.3114.7K1459 W1460 Q1461 I1465 E1642K1459-R1463 PolarHBondContact O-N 2.94Å; K1459-R1463 VanDerWaalsContact O-N 3.11Å; W1460-R1463 PolarHBondContact O-N 2.85Å; Q1461-R1463 PolarHBondContact O-N 2.99Å; R1463-I1465 VanDerWaalsContact C-N 3.34Å; R1463-E1642 IonicContact CZ-OE1 3.22Å; R1463-E1642 VanDerWaalsContact CZ-OE1 3.22Å; R1463-E1642 IonicContact NH1-OE1 3.73Å; R1463-E1642 PolarHBondContact NH1-OE1 3.09Å; R1463-E1642 VanDerWaalsContact NH2-CB 3.29Å; R1463-E1642 PolarHBondContact NH2-O 2.88Å; R1463-E1642 IonicContact NH2-OE1 2.83Å; R1463-E1642 PolarHBondContact NH2-OE1 3.21Å
1464E83.7Confident83.5Confident116 Ų11645.2 Ų45.254%0.54221%0.209SC..SBendtrans-73.9-25.7175.6-62.7175.3-153.500112.2K1459 K1462K1459-E1464 HydrophobicContact CB-CB 4.14Å; K1459-E1464 HydrophobicContact CG-CB 4.5Å; K1459-E1464 WeakPolarHBondContact CG-OE2 3.07Å; K1459-E1464 WeakPolarHBondContact O-CB 3.11Å; K1459-E1464 PolarHBondContact O-N 3.12Å; K1462-E1464 HydrophobicContact CB-CG 3.93Å; K1462-E1464 WeakPolarHBondContact CD-OE1 3.35Å; K1462-E1464 IonicContact NZ-OE1 2.69Å; K1462-E1464 PolarHBondContact O-N 3.41Å
1465I84Confident83.4Confident31 Ų3145.6 Ų45.616%0.15921%0.211CC..SBendtrans-123.4152173.665.1173.5000111.1M1456 K1459 W1460 R1463 D1469 Y1470M1456-I1465 HydrophobicContact CB-CD1 4.16Å; M1456-I1465 HydrophobicContact CE-CD1 3.99Å; M1456-I1465 HydrophobicContact CE-CG2 4.12Å; M1456-I1465 HydrophobicContact SD-CD1 3.71Å; K1459-I1465 HydrophobicContact CB-CD1 4.38Å; K1459-I1465 HydrophobicContact CB-CG1 4.23Å; K1459-I1465 HydrophobicContact CB-CG2 4.31Å; W1460-I1465 HydrophobicContact CB-CD1 4.02Å; W1460-I1465 HydrophobicContact CB-CG1 3.8Å; R1463-I1465 VanDerWaalsContact C-N 3.34Å; I1465-D1469 HydrophobicContact CB-CB 4.25Å; I1465-Y1470 HydrophobicContact CD1-CD2 4.29Å
1466S79.8Confident83.6Confident15 Ų1543.3 Ų43.311%0.10520%0.199CC..  trans-82.6158.7-177.381.30000113.1F1468 D1469 Y1470 R1639S1466-F1468 PolarHBondContact O-N 2.98Å; S1466-F1468 VanDerWaalsContact O-N 3.13Å; S1466-D1469 WeakPolarHBondContact CB-OD2 2.93Å; S1466-D1469 PolarHBondContact N-OD2 2.89Å; S1466-D1469 WeakPolarHBondContact O-CA 3.39Å; S1466-D1469 WeakPolarHBondContact O-CB 3.48Å; S1466-D1469 PolarHBondContact O-N 2.88Å; S1466-D1469 PolarHBondContact OG-OD2 3.48Å; S1466-Y1470 PolarHBondContact O-N 2.94Å; S1466-R1639 PolarHBondContact OG-NE 2.89Å
1467N76.2Confident83.6Confident44 Ų4443.5 Ų43.524%0.23520%0.199CC..Hα-helixtrans-51.8-36.9176.4-66.9-20.9000112.6W1460 Y1470 L1471W1460-N1467 PolarHBondContact NE1-OD1 2.85Å; N1467-Y1470 PolarHBondContact O-N 3.26Å; N1467-L1471 WeakPolarHBondContact O-CB 3.4Å; N1467-L1471 VanDerWaalsContact O-CG 3.28Å; N1467-L1471 WeakPolarHBondContact O-CG 2.98Å; N1467-L1471 PolarHBondContact O-N 3.47Å
1468F85.7Confident83.4Confident27 Ų2743.3 Ų43.312%0.11820%0.199CC..Hα-helixtrans-65.2-45.1175.4-174.8-83000112S1246 R1248 S1466 Y1470 L1471 M1472 F1491 P1590 F1593 Y1594S1246-F1468 WeakPolarHBondContact O-CE1 3.37Å; R1248-F1468 HydrophobicContact CG-CD1 4.46Å; R1248-F1468 HydrophobicContact CG-CE1 3.42Å; R1248-F1468 VanDerWaalsContact CG-CE1 3.42Å; R1248-F1468 HydrophobicContact CG-CZ 3.54Å; S1466-F1468 PolarHBondContact O-N 2.98Å; S1466-F1468 VanDerWaalsContact O-N 3.13Å; F1468-Y1470 VanDerWaalsContact C-N 3.32Å; F1468-Y1470 PolarHBondContact O-N 2.91Å; F1468-L1471 PolarHBondContact O-N 2.73Å; F1468-M1472 HydrophobicContact CD1-CG 4.02Å; F1468-M1472 HydrophobicContact CE1-CG 3.47Å; F1468-M1472 VanDerWaalsContact CE1-CG 3.47Å; F1468-M1472 HydrophobicContact CZ-CG 3.82Å; F1468-M1472 HydrophobicContact CZ-SD 4.38Å; F1468-M1472 WeakPolarHBondContact O-CB 3.38Å; F1468-M1472 WeakPolarHBondContact O-CG 3.21Å; F1468-M1472 PolarHBondContact O-N 3.03Å; F1468-F1491 AromaticContact CD2-CE1 3.51Å; F1468-F1491 HydrophobicContact CD2-CE1 3.51Å; F1468-F1491 AromaticContact CD2-CZ 3.72Å; F1468-F1491 HydrophobicContact CD2-CZ 3.72Å; F1468-F1491 AromaticContact CE2-CE1 3.8Å; F1468-F1491 HydrophobicContact CE2-CE1 3.8Å; F1468-F1491 AromaticContact CE2-CZ 3.72Å; F1468-F1491 HydrophobicContact CE2-CZ 3.72Å; F1468-F1491 HydrophobicContact CG-CE1 4.26Å; F1468-F1491 HydrophobicContact CG-CZ 4.25Å; F1468-F1491 HydrophobicContact CZ-CZ 4.25Å; F1468-P1590 HydrophobicContact CE2-CB 4.01Å; F1468-P1590 HydrophobicContact CZ-CB 3.92Å; F1468-F1593 HydrophobicContact CD2-CB 3.95Å; F1468-F1593 HydrophobicContact CE2-CB 4.01Å; F1468-Y1594 AromaticContact CE2-CD1 3.87Å; F1468-Y1594 HydrophobicContact CE2-CD1 3.87Å; F1468-Y1594 HydrophobicContact CE2-CE1 4.34Å; F1468-Y1594 AromaticContact CZ-CD1 3.76Å; F1468-Y1594 HydrophobicContact CZ-CD1 3.76Å; F1468-Y1594 AromaticContact CZ-CE1 3.93Å; F1468-Y1594 HydrophobicContact CZ-CE1 3.93Å
1469D87.2Confident83.1Confident14 Ų1439.4 Ų39.48%0.07518%0.182CC..Hα-helixtrans-64.6-38.2178.2-62.3-71.4000111.5S1246 K1433 I1465 S1466 F1473 R1639S1246-D1469 WeakPolarHBondContact CB-OD1 3.11Å; S1246-D1469 PolarHBondContact OG-OD1 2.93Å; K1433-D1469 IonicContact NZ-OD1 3.36Å; I1465-D1469 HydrophobicContact CB-CB 4.25Å; S1466-D1469 WeakPolarHBondContact CB-OD2 2.93Å; S1466-D1469 PolarHBondContact N-OD2 2.89Å; S1466-D1469 WeakPolarHBondContact O-CA 3.39Å; S1466-D1469 WeakPolarHBondContact O-CB 3.48Å; S1466-D1469 PolarHBondContact O-N 2.88Å; S1466-D1469 PolarHBondContact OG-OD2 3.48Å; D1469-F1473 WeakPolarHBondContact O-CB 3.37Å; D1469-F1473 PolarHBondContact O-N 2.82Å; D1469-R1639 IonicContact OD2-NH2 2.7Å
1470Y85.5Confident83Confident6 Ų638 Ų382%0.02418%0.175CC..Hα-helixtrans-68.2-44.2176-174.3-115.7000112.3P1457 W1460 I1465 S1466 N1467 F1468 F1473 L1474 F1650P1457-Y1470 HydrophobicContact CB-CE2 4.33Å; P1457-Y1470 HydrophobicContact CG-CE2 4.29Å; W1460-Y1470 HydrophobicContact CB-CD1 4.48Å; W1460-Y1470 HydrophobicContact CB-CD2 3.67Å; W1460-Y1470 HydrophobicContact CB-CE2 4.18Å; W1460-Y1470 HydrophobicContact CB-CG 3.85Å; W1460-Y1470 AromaticContact CD1-CG 3.84Å; W1460-Y1470 AromaticContact CD2-CD1 3.63Å; W1460-Y1470 HydrophobicContact CD2-CD1 3.63Å; W1460-Y1470 HydrophobicContact CD2-CD2 4.31Å; W1460-Y1470 AromaticContact CD2-CE1 3.8Å; W1460-Y1470 HydrophobicContact CD2-CE1 3.8Å; W1460-Y1470 HydrophobicContact CD2-CE2 4.48Å; W1460-Y1470 AromaticContact CD2-CG 3.9Å; W1460-Y1470 HydrophobicContact CD2-CG 3.9Å; W1460-Y1470 AromaticContact CE2-CD1 3.97Å; W1460-Y1470 HydrophobicContact CE3-CD1 4.02Å; W1460-Y1470 AromaticContact CE3-CE1 3.67Å; W1460-Y1470 HydrophobicContact CE3-CE1 3.67Å; W1460-Y1470 HydrophobicContact CE3-CE2 4.32Å; W1460-Y1470 HydrophobicContact CE3-CG 4.47Å; W1460-Y1470 AromaticContact CE3-CZ 3.84Å; W1460-Y1470 AromaticContact CG-CD1 3.79Å; W1460-Y1470 HydrophobicContact CG-CD1 3.79Å; W1460-Y1470 AromaticContact CG-CD2 3.87Å; W1460-Y1470 HydrophobicContact CG-CD2 3.87Å; W1460-Y1470 HydrophobicContact CG-CE1 4.31Å; W1460-Y1470 HydrophobicContact CG-CE2 4.4Å; W1460-Y1470 AromaticContact CG-CG 3.54Å; W1460-Y1470 HydrophobicContact CG-CG 3.54Å; W1460-Y1470 HydrophobicContact CZ3-CE1 4.15Å; I1465-Y1470 HydrophobicContact CD1-CD2 4.29Å; S1466-Y1470 PolarHBondContact O-N 2.94Å; N1467-Y1470 PolarHBondContact O-N 3.26Å; F1468-Y1470 VanDerWaalsContact C-N 3.32Å; F1468-Y1470 PolarHBondContact O-N 2.91Å; Y1470-F1473 AromaticContact CD2-CD1 3.97Å; Y1470-F1473 HydrophobicContact CD2-CD1 3.97Å; Y1470-F1473 HydrophobicContact CE2-CD1 4.02Å; Y1470-F1473 HydrophobicContact CE2-CE1 4.2Å; Y1470-F1473 WeakPolarHBondContact O-CB 3.48Å; Y1470-F1473 PolarHBondContact O-N 2.9Å; Y1470-L1474 HydrophobicContact CD1-CD1 4.16Å; Y1470-L1474 HydrophobicContact CE1-CD1 3.75Å; Y1470-L1474 HydrophobicContact CE1-CG 4.35Å; Y1470-L1474 WeakPolarHBondContact O-CG 2.92Å; Y1470-L1474 PolarHBondContact O-N 2.74Å; Y1470-F1650 HydrophobicContact CE1-CE2 4.13Å; Y1470-F1650 HydrophobicContact CE1-CZ 4.49Å
1471L84.2Confident83.4Confident38 Ų3836.7 Ų36.720%0.19917%0.171CC..Hα-helixtrans-64.8-38.5174.6-72.1172.6000112.2N1467 F1468 L1474 N1475 F1491N1467-L1471 WeakPolarHBondContact O-CB 3.4Å; N1467-L1471 VanDerWaalsContact O-CG 3.28Å; N1467-L1471 WeakPolarHBondContact O-CG 2.98Å; N1467-L1471 PolarHBondContact O-N 3.47Å; F1468-L1471 PolarHBondContact O-N 2.73Å; L1471-L1474 PolarHBondContact O-N 2.94Å; L1471-N1475 PolarHBondContact O-N 3.2Å; L1471-N1475 PolarHBondContact O-ND2 2.7Å; L1471-F1491 HydrophobicContact CB-CD1 4.37Å; L1471-F1491 HydrophobicContact CB-CE1 3.74Å; L1471-F1491 HydrophobicContact CB-CE2 3.86Å; L1471-F1491 HydrophobicContact CB-CZ 3.44Å; L1471-F1491 VanDerWaalsContact CB-CZ 3.44Å; L1471-F1491 HydrophobicContact CD1-CD1 3.67Å; L1471-F1491 HydrophobicContact CD1-CE1 3.58Å; L1471-F1491 HydrophobicContact CD1-CG 4.38Å; L1471-F1491 HydrophobicContact CD1-CZ 4.19Å; L1471-F1491 HydrophobicContact CG-CE1 4.32Å; L1471-F1491 HydrophobicContact CG-CZ 4.47Å
1472M87.6Confident83.9Confident3 Ų332.1 Ų32.12%0.01515%0.149CC..Hα-helixtrans-68.4-35.4172.9-76.9-51.6-69.300112.7R1247 F1468 T1476 Y1482 P1489 F1491 P1590R1247-M1472 HydrophobicContact CB-CE 3.59Å; R1247-M1472 HydrophobicContact CG-CE 4.47Å; F1468-M1472 HydrophobicContact CD1-CG 4.02Å; F1468-M1472 HydrophobicContact CE1-CG 3.47Å; F1468-M1472 VanDerWaalsContact CE1-CG 3.47Å; F1468-M1472 HydrophobicContact CZ-CG 3.82Å; F1468-M1472 HydrophobicContact CZ-SD 4.38Å; F1468-M1472 WeakPolarHBondContact O-CB 3.38Å; F1468-M1472 WeakPolarHBondContact O-CG 3.21Å; F1468-M1472 PolarHBondContact O-N 3.03Å; M1472-T1476 VanDerWaalsContact O-CB 3.29Å; M1472-T1476 WeakPolarHBondContact O-CB 3.38Å; M1472-T1476 PolarHBondContact O-N 2.77Å; M1472-T1476 PolarHBondContact O-OG1 2.77Å; M1472-Y1482 WeakPolarHBondContact CE-OH 3.21Å; M1472-P1489 HydrophobicContact CE-CB 4.28Å; M1472-P1489 HydrophobicContact CE-CG 4.31Å; M1472-P1489 HydrophobicContact SD-CB 4.37Å; M1472-F1491 HydrophobicContact CG-CE2 4.14Å; M1472-F1491 HydrophobicContact CG-CZ 3.99Å; M1472-F1491 HydrophobicContact SD-CE2 3.58Å; M1472-F1491 VanDerWaalsContact SD-CE2 3.58Å; M1472-F1491 HydrophobicContact SD-CZ 4.02Å; M1472-P1590 HydrophobicContact CE-CG 4.37Å; M1472-P1590 HydrophobicContact SD-CB 3.93Å; M1472-P1590 HydrophobicContact SD-CG 3.54Å; M1472-P1590 VanDerWaalsContact SD-CG 3.54Å
1473F88.2Confident84.1Confident2 Ų226.3 Ų26.31%0.00912%0.124CC..Hα-helixtrans-58.9-52.6170158.4-106.7000110.7Y1434 F1451 S1454 M1456 D1469 Y1470 N1475 T1476 I1477Y1434-F1473 AromaticContact CD1-CD2 3.61Å; Y1434-F1473 HydrophobicContact CD1-CD2 3.61Å; Y1434-F1473 HydrophobicContact CD1-CE2 4.14Å; Y1434-F1473 HydrophobicContact CD2-CD2 4.13Å; Y1434-F1473 HydrophobicContact CD2-CE2 4.18Å; Y1434-F1473 HydrophobicContact CE1-CB 4.27Å; Y1434-F1473 AromaticContact CE1-CD2 3.64Å; Y1434-F1473 HydrophobicContact CE1-CD2 3.64Å; Y1434-F1473 HydrophobicContact CE1-CG 4.4Å; Y1434-F1473 HydrophobicContact CE2-CD2 4.12Å; Y1434-F1473 AromaticContact CG-CD2 3.89Å; Y1434-F1473 HydrophobicContact CG-CD2 3.89Å; Y1434-F1473 AromaticContact CG-CE2 3.97Å; Y1434-F1473 HydrophobicContact CG-CE2 3.97Å; Y1434-F1473 AromaticContact CZ-CD2 3.9Å; F1451-F1473 HydrophobicContact CD2-CE1 4.16Å; F1451-F1473 HydrophobicContact CD2-CZ 4.34Å; F1451-F1473 HydrophobicContact CE2-CE1 4.38Å; S1454-F1473 VanDerWaalsContact CB-CZ 3.48Å; S1454-F1473 VanDerWaalsContact OG-CE2 3.23Å; S1454-F1473 WeakPolarHBondContact OG-CE2 3.43Å; S1454-F1473 WeakPolarHBondContact OG-CZ 2.93Å; M1456-F1473 HydrophobicContact CB-CD1 3.62Å; M1456-F1473 HydrophobicContact CB-CD2 4.08Å; M1456-F1473 HydrophobicContact CB-CE1 3.59Å; M1456-F1473 HydrophobicContact CB-CE2 4.04Å; M1456-F1473 HydrophobicContact CB-CG 3.87Å; M1456-F1473 HydrophobicContact CB-CZ 3.8Å; M1456-F1473 HydrophobicContact CG-CD1 4.1Å; M1456-F1473 HydrophobicContact CG-CD2 3.65Å; M1456-F1473 HydrophobicContact CG-CE1 4.23Å; M1456-F1473 HydrophobicContact CG-CE2 3.77Å; M1456-F1473 HydrophobicContact CG-CG 3.81Å; M1456-F1473 HydrophobicContact CG-CZ 4.07Å; M1456-F1473 HydrophobicContact SD-CB 4.46Å; M1456-F1473 HydrophobicContact SD-CD2 4.43Å; M1456-F1473 HydrophobicContact SD-CG 4.38Å; D1469-F1473 WeakPolarHBondContact O-CB 3.37Å; D1469-F1473 PolarHBondContact O-N 2.82Å; Y1470-F1473 AromaticContact CD2-CD1 3.97Å; Y1470-F1473 HydrophobicContact CD2-CD1 3.97Å; Y1470-F1473 HydrophobicContact CE2-CD1 4.02Å; Y1470-F1473 HydrophobicContact CE2-CE1 4.2Å; Y1470-F1473 WeakPolarHBondContact O-CB 3.48Å; Y1470-F1473 PolarHBondContact O-N 2.9Å; F1473-N1475 PolarHBondContact O-N 2.87Å; F1473-T1476 PolarHBondContact O-N 3.49Å; F1473-T1476 VanDerWaalsContact O-N 3.1Å; F1473-I1477 HydrophobicContact CD2-CG2 3.79Å; F1473-I1477 HydrophobicContact CE1-CD1 4Å; F1473-I1477 HydrophobicContact CE2-CD1 4.07Å; F1473-I1477 HydrophobicContact CE2-CG2 3.43Å; F1473-I1477 VanDerWaalsContact CE2-CG2 3.43Å; F1473-I1477 HydrophobicContact CZ-CD1 3.65Å; F1473-I1477 HydrophobicContact CZ-CG2 4.13Å; F1473-I1477 WeakPolarHBondContact O-CG1 3.49Å; F1473-I1477 PolarHBondContact O-N 3.29Å
1474L83.6Confident84.3Confident20 Ų2019.4 Ų19.411%0.10510%0.099CC..Hα-helixtrans-57.5-45.1178.5-69.8178.2000112.4F1451 Y1470 L1471 I1477 A1478 F1650F1451-L1474 HydrophobicContact CD2-CD2 4.04Å; F1451-L1474 HydrophobicContact CE2-CD2 3.79Å; Y1470-L1474 HydrophobicContact CD1-CD1 4.16Å; Y1470-L1474 HydrophobicContact CE1-CD1 3.75Å; Y1470-L1474 HydrophobicContact CE1-CG 4.35Å; Y1470-L1474 WeakPolarHBondContact O-CG 2.92Å; Y1470-L1474 PolarHBondContact O-N 2.74Å; L1471-L1474 PolarHBondContact O-N 2.94Å; L1474-I1477 HydrophobicContact CD2-CD1 4.38Å; L1474-I1477 WeakPolarHBondContact O-CG1 3.07Å; L1474-A1478 WeakPolarHBondContact O-CB 3.4Å; L1474-A1478 PolarHBondContact O-N 2.71Å; L1474-A1478 VanDerWaalsContact O-N 3.07Å; L1474-F1650 HydrophobicContact CD1-CZ 3.96Å
1475N84Confident84Confident12 Ų1214.2 Ų14.26%0.0648%0.076CC..Hα-helixtrans-59-48.7173.8-85.2-84.5000111.5L1471 F1473 A1478 G1479 R1480 P1489 V1490L1471-N1475 PolarHBondContact O-N 3.2Å; L1471-N1475 PolarHBondContact O-ND2 2.7Å; F1473-N1475 PolarHBondContact O-N 2.87Å; N1475-A1478 PolarHBondContact O-N 2.88Å; N1475-G1479 PolarHBondContact O-N 3.14Å; N1475-R1480 HydrophobicContact CB-CB 4.24Å; N1475-R1480 WeakPolarHBondContact O-CB 3.17Å; N1475-R1480 PolarHBondContact O-N 3.18Å; N1475-R1480 WeakPolarHBondContact OD1-CD 3.41Å; N1475-P1489 HydrophobicContact CB-CB 4.14Å; N1475-P1489 VanDerWaalsContact OD1-CA 3.3Å; N1475-P1489 WeakPolarHBondContact OD1-CA 3.43Å; N1475-V1490 PolarHBondContact ND2-O 3.44Å; N1475-V1490 PolarHBondContact OD1-N 2.85Å; N1475-V1490 PolarHBondContact OD1-O 2.8Å
1476T89Confident83.5Confident1 Ų117.3 Ų17.31%0.0069%0.092CC..Hα-helixtrans-66.5-40-175.3-55.90000112.4R1247 F1387 R1389 Y1434 M1472 F1473 G1479R1247-T1476 WeakPolarHBondContact CD-OG1 3.39Å; R1247-T1476 PolarHBondContact NH1-OG1 2.82Å; F1387-T1476 HydrophobicContact CE1-CG2 4.12Å; F1387-T1476 HydrophobicContact CE2-CG2 4.43Å; F1387-T1476 HydrophobicContact CZ-CG2 4.04Å; R1389-T1476 PolarHBondContact NH1-O 2.87Å; R1389-T1476 PolarHBondContact NH2-O 3.02Å; Y1434-T1476 WeakPolarHBondContact OH-CG2 3.43Å; M1472-T1476 VanDerWaalsContact O-CB 3.29Å; M1472-T1476 WeakPolarHBondContact O-CB 3.38Å; M1472-T1476 PolarHBondContact O-N 2.77Å; M1472-T1476 PolarHBondContact O-OG1 2.77Å; F1473-T1476 PolarHBondContact O-N 3.49Å; F1473-T1476 VanDerWaalsContact O-N 3.1Å; T1476-G1479 PolarHBondContact O-N 2.8Å
1477I85Confident83.4Confident6 Ų618.1 Ų18.13%0.0319%0.094CC..Hα-helixtrans-73.2-29.7175.665.5170.6000112.5Y1434 P1447 L1450 F1451 F1473 L1474 G1479Y1434-I1477 HydrophobicContact CE2-CG2 4.31Å; P1447-I1477 WeakPolarHBondContact CB-O 3.15Å; P1447-I1477 VanDerWaalsContact CG-O 3.24Å; P1447-I1477 WeakPolarHBondContact CG-O 3.49Å; L1450-I1477 HydrophobicContact CB-CB 4.36Å; L1450-I1477 HydrophobicContact CB-CG2 4.2Å; L1450-I1477 HydrophobicContact CD1-CB 4.49Å; L1450-I1477 HydrophobicContact CD1-CG2 4.4Å; F1451-I1477 HydrophobicContact CB-CD1 3.77Å; F1451-I1477 HydrophobicContact CD2-CD1 3.74Å; F1451-I1477 HydrophobicContact CG-CD1 4.23Å; F1473-I1477 HydrophobicContact CD2-CG2 3.79Å; F1473-I1477 HydrophobicContact CE1-CD1 4Å; F1473-I1477 HydrophobicContact CE2-CD1 4.07Å; F1473-I1477 HydrophobicContact CE2-CG2 3.43Å; F1473-I1477 VanDerWaalsContact CE2-CG2 3.43Å; F1473-I1477 HydrophobicContact CZ-CD1 3.65Å; F1473-I1477 HydrophobicContact CZ-CG2 4.13Å; F1473-I1477 WeakPolarHBondContact O-CG1 3.49Å; F1473-I1477 PolarHBondContact O-N 3.29Å; L1474-I1477 HydrophobicContact CD2-CD1 4.38Å; L1474-I1477 WeakPolarHBondContact O-CG1 3.07Å; I1477-G1479 PolarHBondContact O-N 2.66Å; I1477-G1479 VanDerWaalsContact O-N 3.13Å
1478A76.7Confident83.7Confident11 Ų1116.1 Ų16.19%0.0918%0.084CC..THydrogen-bonded Turntrans-71.20.6176.200000113.6L1474 N1475 F1665L1474-A1478 WeakPolarHBondContact O-CB 3.4Å; L1474-A1478 PolarHBondContact O-N 2.71Å; L1474-A1478 VanDerWaalsContact O-N 3.07Å; N1475-A1478 PolarHBondContact O-N 2.88Å; A1478-F1665 HydrophobicContact CB-CD1 3.68Å; A1478-F1665 HydrophobicContact CB-CD2 3.97Å; A1478-F1665 HydrophobicContact CB-CE1 3.75Å; A1478-F1665 HydrophobicContact CB-CE2 4.01Å; A1478-F1665 HydrophobicContact CB-CG 3.8Å; A1478-F1665 HydrophobicContact CB-CZ 3.92Å
1479G79.1Confident83.6Confident4 Ų414.9 Ų14.94%0.0418%0.078CC..THydrogen-bonded Turntrans92.20.3-179.300000114.6R1389 N1475 T1476 I1477R1389-G1479 WeakPolarHBondContact CD-O 3.33Å; N1475-G1479 PolarHBondContact O-N 3.14Å; T1476-G1479 PolarHBondContact O-N 2.8Å; I1477-G1479 PolarHBondContact O-N 2.66Å; I1477-G1479 VanDerWaalsContact O-N 3.13Å
1480R83.4Confident83.1Confident18 Ų1815.3 Ų15.37%0.0688%0.081CC..  trans-74.5135-177-67.5-179.4174.2-98.6-1.3112.2N1475 Q1487 Y1488 P1489N1475-R1480 HydrophobicContact CB-CB 4.24Å; N1475-R1480 WeakPolarHBondContact O-CB 3.17Å; N1475-R1480 PolarHBondContact O-N 3.18Å; N1475-R1480 WeakPolarHBondContact OD1-CD 3.41Å; R1480-Q1487 CarbonylContact C-O 3.57Å; R1480-Q1487 WeakPolarHBondContact CA-O 3.19Å; R1480-Q1487 WeakPolarHBondContact CB-O 3.32Å; R1480-Q1487 WeakPolarHBondContact CG-O 3.45Å; R1480-Y1488 PolarHBondContact NH1-O 3.26Å; R1480-P1489 HydrophobicContact CB-CG 4.34Å
1481T87.7Confident82.7Confident0 Ų015.2 Ų15.20%08%0.081CC..  trans-143.5150.8-167.61700000110.8E1399 M1409 N1483 D1484 Q1487 Y1488E1399-T1481 WeakPolarHBondContact OE1-CB 3.42Å; E1399-T1481 PolarHBondContact OE1-OG1 3.24Å; M1409-T1481 HydrophobicContact SD-CG2 3.88Å; T1481-N1483 PolarHBondContact O-N 3.34Å; T1481-N1483 WeakPolarHBondContact OG1-CB 3.46Å; T1481-N1483 PolarHBondContact OG1-N 3.11Å; T1481-D1484 HydrophobicContact CG2-CB 3.89Å; T1481-Q1487 PolarHBondContact N-O 3.33Å; T1481-Y1488 WeakPolarHBondContact O-CA 3.41Å
1482Y88.5Confident82.2Confident6 Ų614.3 Ų14.32%0.0248%0.078CC..SBendtrans-75.6-11.4170.7-62.2-46.5000113.1E1243 R1247 R1249 M1472 Y1488 P1489E1243-Y1482 HydrophobicContact CG-CD2 4.39Å; E1243-Y1482 HydrophobicContact CG-CE2 4.3Å; E1243-Y1482 WeakPolarHBondContact OE1-CD2 3.11Å; R1247-Y1482 WeakPolarHBondContact O-CE2 3.24Å; R1247-Y1482 PolarHBondContact O-OH 2.83Å; R1249-Y1482 VanDerWaalsContact NH2-CD1 3.32Å; M1472-Y1482 WeakPolarHBondContact CE-OH 3.21Å; Y1482-Y1488 HydrophobicContact CD1-CD2 4.12Å; Y1482-Y1488 HydrophobicContact CD1-CE1 4.05Å; Y1482-Y1488 AromaticContact CD1-CE2 3.45Å; Y1482-Y1488 HydrophobicContact CD1-CE2 3.45Å; Y1482-Y1488 VanDerWaalsContact CD1-CE2 3.45Å; Y1482-Y1488 AromaticContact CD1-CZ 3.37Å; Y1482-Y1488 WeakPolarHBondContact CD1-OH 3.42Å; Y1482-Y1488 AromaticContact CE1-CE1 3.95Å; Y1482-Y1488 HydrophobicContact CE1-CE1 3.95Å; Y1482-Y1488 HydrophobicContact CE1-CE2 4.15Å; Y1482-Y1488 AromaticContact CE1-CZ 3.56Å; Y1482-Y1488 VanDerWaalsContact CE1-OH 3.28Å; Y1482-Y1488 WeakPolarHBondContact CE1-OH 3.32Å; Y1482-Y1488 HydrophobicContact CG-CE2 4.38Å; Y1482-P1489 HydrophobicContact CD1-CG 3.86Å; Y1482-P1489 HydrophobicContact CE1-CB 4.29Å; Y1482-P1489 HydrophobicContact CE1-CG 3.63Å
1483N88.4Confident81.7Confident20 Ų2014.3 Ų14.311%0.1078%0.077CC..SBendtrans-83.4-30.1-179-71.9-55000113.7A1333 E1399 A1407 M1409 T1481A1333-N1483 CarbonylContact C-O 3.53Å; A1333-N1483 WeakPolarHBondContact CA-O 3.37Å; E1399-N1483 PolarHBondContact OE1-ND2 2.99Å; A1407-N1483 PolarHBondContact O-ND2 3.32Å; A1407-N1483 VanDerWaalsContact O-ND2 3.1Å; M1409-N1483 HydrophobicContact CB-CB 3.92Å; M1409-N1483 HydrophobicContact SD-CB 4.27Å; T1481-N1483 PolarHBondContact O-N 3.34Å; T1481-N1483 WeakPolarHBondContact OG1-CB 3.46Å; T1481-N1483 PolarHBondContact OG1-N 3.11Å
1484D83.5Confident81.1Confident13 Ų1315.4 Ų15.47%0.078%0.083CC..  trans-111.3112173.6179.94.6000110.1I1332 T1481 N1486 Q1487 Y1488I1332-D1484 HydrophobicContact CG2-CB 4.16Å; T1481-D1484 HydrophobicContact CG2-CB 3.89Å; D1484-N1486 PolarHBondContact O-N 3.33Å; D1484-N1486 WeakPolarHBondContact OD1-CB 3.45Å; D1484-N1486 PolarHBondContact OD1-N 2.73Å; D1484-N1486 PolarHBondContact OD1-ND2 2.94Å; D1484-Q1487 HydrophobicContact CB-CB 4.34Å; D1484-Q1487 CarbonylContact O-C 3.57Å; D1484-Q1487 VanDerWaalsContact O-C 3.26Å; D1484-Q1487 WeakPolarHBondContact O-CA 3.27Å; D1484-Q1487 PolarHBondContact O-N 3.34Å; D1484-Q1487 PolarHBondContact OD2-NE2 3.37Å; D1484-Y1488 PolarHBondContact O-N 3.43Å; D1484-Y1488 VanDerWaalsContact O-N 3.13Å
1485L77.7Confident81.1Confident8 Ų814.6 Ų14.64%0.0428%0.079CC..G310 helixtrans-64.2-24.4-179.3-62.8173.7000113.1P1334 G1335 Q1487 Y1488 L1536 L1540 F1549 L1552P1334-L1485 HydrophobicContact CB-CD1 4.29Å; P1334-L1485 HydrophobicContact CB-CD2 4.17Å; P1334-L1485 HydrophobicContact CB-CG 4.2Å; G1335-L1485 VanDerWaalsContact N-CD1 3.34Å; L1485-Q1487 PolarHBondContact O-N 2.98Å; L1485-Y1488 HydrophobicContact CD2-CD2 4.23Å; L1485-L1536 HydrophobicContact CB-CD1 3.46Å; L1485-L1536 VanDerWaalsContact CB-CD1 3.46Å; L1485-L1540 HydrophobicContact CD1-CD1 4.13Å; L1485-L1540 HydrophobicContact CD1-CD2 4.22Å; L1485-L1540 HydrophobicContact CD1-CG 4.46Å; L1485-L1540 HydrophobicContact CD2-CD2 4.45Å; L1485-F1549 HydrophobicContact CD2-CD1 4.32Å; L1485-F1549 HydrophobicContact CD2-CE1 3.99Å; L1485-L1552 HydrophobicContact CD1-CD1 4.35Å
1486N73.5Confident81Confident96 Ų9615.7 Ų15.751%0.5139%0.087SC..G310 helixtrans-71.6-22.1173.8-56.6-79000112D1484D1484-N1486 PolarHBondContact O-N 3.33Å; D1484-N1486 WeakPolarHBondContact OD1-CB 3.45Å; D1484-N1486 PolarHBondContact OD1-N 2.73Å; D1484-N1486 PolarHBondContact OD1-ND2 2.94Å
1487Q76.6Confident80.8Confident31 Ų3117.3 Ų17.315%0.14510%0.096CC..G310 helixtrans-120.428.5-177.2-61-177.662.500111.3C1390 R1480 T1481 D1484 L1485C1390-Q1487 PolarHBondContact O-NE2 2.85Å; C1390-Q1487 PolarHBondContact O-OE1 2.86Å; R1480-Q1487 CarbonylContact C-O 3.57Å; R1480-Q1487 WeakPolarHBondContact CA-O 3.19Å; R1480-Q1487 WeakPolarHBondContact CB-O 3.32Å; R1480-Q1487 WeakPolarHBondContact CG-O 3.45Å; T1481-Q1487 PolarHBondContact N-O 3.33Å; D1484-Q1487 HydrophobicContact CB-CB 4.34Å; D1484-Q1487 CarbonylContact O-C 3.57Å; D1484-Q1487 VanDerWaalsContact O-C 3.26Å; D1484-Q1487 WeakPolarHBondContact O-CA 3.27Å; D1484-Q1487 PolarHBondContact O-N 3.34Å; D1484-Q1487 PolarHBondContact OD2-NE2 3.37Å; L1485-Q1487 PolarHBondContact O-N 2.98Å
1488Y81.7Confident80.9Confident3 Ų317.4 Ų17.41%0.01210%0.096CC..  trans-60.8144.1178.9-161.7-86.6000111.3R1249 R1480 T1481 Y1482 D1484 L1485 L1539 F1543 F1549 I1589 E1591R1249-Y1488 PolarHBondContact NH2-OH 2.74Å; R1480-Y1488 PolarHBondContact NH1-O 3.26Å; T1481-Y1488 WeakPolarHBondContact O-CA 3.41Å; Y1482-Y1488 HydrophobicContact CD1-CD2 4.12Å; Y1482-Y1488 HydrophobicContact CD1-CE1 4.05Å; Y1482-Y1488 AromaticContact CD1-CE2 3.45Å; Y1482-Y1488 HydrophobicContact CD1-CE2 3.45Å; Y1482-Y1488 VanDerWaalsContact CD1-CE2 3.45Å; Y1482-Y1488 AromaticContact CD1-CZ 3.37Å; Y1482-Y1488 WeakPolarHBondContact CD1-OH 3.42Å; Y1482-Y1488 AromaticContact CE1-CE1 3.95Å; Y1482-Y1488 HydrophobicContact CE1-CE1 3.95Å; Y1482-Y1488 HydrophobicContact CE1-CE2 4.15Å; Y1482-Y1488 AromaticContact CE1-CZ 3.56Å; Y1482-Y1488 VanDerWaalsContact CE1-OH 3.28Å; Y1482-Y1488 WeakPolarHBondContact CE1-OH 3.32Å; Y1482-Y1488 HydrophobicContact CG-CE2 4.38Å; D1484-Y1488 PolarHBondContact O-N 3.43Å; D1484-Y1488 VanDerWaalsContact O-N 3.13Å; L1485-Y1488 HydrophobicContact CD2-CD2 4.23Å; Y1488-L1539 HydrophobicContact CD1-CD2 3.51Å; Y1488-L1539 HydrophobicContact CE1-CD2 4.4Å; Y1488-L1539 HydrophobicContact CG-CD2 3.84Å; Y1488-F1543 AromaticContact CE1-CE2 3.7Å; Y1488-F1543 HydrophobicContact CE1-CE2 3.7Å; Y1488-F1543 HydrophobicContact CE1-CZ 4.22Å; Y1488-F1543 HydrophobicContact CE2-CE2 4.12Å; Y1488-F1543 AromaticContact CZ-CE2 3.45Å; Y1488-F1543 VanDerWaalsContact CZ-CE2 3.45Å; Y1488-F1543 AromaticContact CZ-CZ 3.78Å; Y1488-F1543 WeakPolarHBondContact OH-CE2 3.32Å; Y1488-F1543 WeakPolarHBondContact OH-CZ 3.32Å; Y1488-F1549 HydrophobicContact CE2-CE1 4.25Å; Y1488-F1549 HydrophobicContact CE2-CZ 4.29Å; Y1488-I1589 HydrophobicContact CD1-CG2 3.95Å; Y1488-I1589 HydrophobicContact CE1-CB 4.2Å; Y1488-I1589 HydrophobicContact CE1-CG2 3.96Å; Y1488-E1591 PolarHBondContact OH-OE1 2.97Å; Y1488-E1591 PolarHBondContact OH-OE2 3.25Å
1489P84.6Confident81.4Confident0 Ų024.2 Ų24.20%013%0.126CC..  trans-58.5137.2177.1-28.538.2000113.4M1472 N1475 R1480 Y1482 P1590M1472-P1489 HydrophobicContact CE-CB 4.28Å; M1472-P1489 HydrophobicContact CE-CG 4.31Å; M1472-P1489 HydrophobicContact SD-CB 4.37Å; N1475-P1489 HydrophobicContact CB-CB 4.14Å; N1475-P1489 VanDerWaalsContact OD1-CA 3.3Å; N1475-P1489 WeakPolarHBondContact OD1-CA 3.43Å; R1480-P1489 HydrophobicContact CB-CG 4.34Å; Y1482-P1489 HydrophobicContact CD1-CG 3.86Å; Y1482-P1489 HydrophobicContact CE1-CB 4.29Å; Y1482-P1489 HydrophobicContact CE1-CG 3.63Å; P1489-P1590 HydrophobicContact CB-CG 3.73Å; P1489-P1590 VanDerWaalsContact O-CD 3.27Å; P1489-P1590 WeakPolarHBondContact O-CD 3.46Å
1490V75.6Confident81.7Confident24 Ų2425.6 Ų25.615%0.14514%0.135CC..  trans-126.8146.8-179.2-66.50000112.1N1475 L1539 L1588N1475-V1490 PolarHBondContact ND2-O 3.44Å; N1475-V1490 PolarHBondContact OD1-N 2.85Å; N1475-V1490 PolarHBondContact OD1-O 2.8Å; V1490-L1539 HydrophobicContact CG1-CD1 3.93Å; V1490-L1588 CarbonylContact C-O 3.56Å; V1490-L1588 WeakPolarHBondContact CA-O 3.48Å
1491F78.4Confident81.9Confident3 Ų333.6 Ų33.61%0.01317%0.17CC..BIsolated β-bridgetrans-124.6140.5179.5-88.4-128.9000108.7F1468 L1471 M1472 L1588 P1590 F1593F1468-F1491 AromaticContact CD2-CE1 3.51Å; F1468-F1491 HydrophobicContact CD2-CE1 3.51Å; F1468-F1491 AromaticContact CD2-CZ 3.72Å; F1468-F1491 HydrophobicContact CD2-CZ 3.72Å; F1468-F1491 AromaticContact CE2-CE1 3.8Å; F1468-F1491 HydrophobicContact CE2-CE1 3.8Å; F1468-F1491 AromaticContact CE2-CZ 3.72Å; F1468-F1491 HydrophobicContact CE2-CZ 3.72Å; F1468-F1491 HydrophobicContact CG-CE1 4.26Å; F1468-F1491 HydrophobicContact CG-CZ 4.25Å; F1468-F1491 HydrophobicContact CZ-CZ 4.25Å; L1471-F1491 HydrophobicContact CB-CD1 4.37Å; L1471-F1491 HydrophobicContact CB-CE1 3.74Å; L1471-F1491 HydrophobicContact CB-CE2 3.86Å; L1471-F1491 HydrophobicContact CB-CZ 3.44Å; L1471-F1491 VanDerWaalsContact CB-CZ 3.44Å; L1471-F1491 HydrophobicContact CD1-CD1 3.67Å; L1471-F1491 HydrophobicContact CD1-CE1 3.58Å; L1471-F1491 HydrophobicContact CD1-CG 4.38Å; L1471-F1491 HydrophobicContact CD1-CZ 4.19Å; L1471-F1491 HydrophobicContact CG-CE1 4.32Å; L1471-F1491 HydrophobicContact CG-CZ 4.47Å; M1472-F1491 HydrophobicContact CG-CE2 4.14Å; M1472-F1491 HydrophobicContact CG-CZ 3.99Å; M1472-F1491 HydrophobicContact SD-CE2 3.58Å; M1472-F1491 VanDerWaalsContact SD-CE2 3.58Å; M1472-F1491 HydrophobicContact SD-CZ 4.02Å; F1491-L1588 HydrophobicContact CB-CB 4.38Å; F1491-L1588 PolarHBondContact N-O 2.79Å; F1491-L1588 CarbonylContact O-C 3.55Å; F1491-L1588 WeakPolarHBondContact O-CA 3.49Å; F1491-L1588 WeakPolarHBondContact O-CB 3.45Å; F1491-L1588 PolarHBondContact O-N 3.06Å; F1491-L1588 VanDerWaalsContact O-O 3.11Å; F1491-P1590 HydrophobicContact CD2-CB 4.24Å; F1491-P1590 HydrophobicContact CD2-CG 3.79Å; F1491-P1590 HydrophobicContact CE2-CB 4.02Å; F1491-P1590 HydrophobicContact CE2-CG 3.71Å; F1491-P1590 HydrophobicContact CZ-CB 4.44Å; F1491-F1593 HydrophobicContact CB-CD2 4.29Å; F1491-F1593 HydrophobicContact CB-CE2 3.56Å; F1491-F1593 HydrophobicContact CB-CZ 4.21Å; F1491-F1593 AromaticContact CD1-CD2 3.55Å; F1491-F1593 HydrophobicContact CD1-CD2 3.55Å; F1491-F1593 AromaticContact CD1-CE2 3.45Å; F1491-F1593 HydrophobicContact CD1-CE2 3.45Å; F1491-F1593 VanDerWaalsContact CD1-CE2 3.45Å; F1491-F1593 HydrophobicContact CD1-CG 4.17Å; F1491-F1593 AromaticContact CD1-CZ 3.96Å; F1491-F1593 HydrophobicContact CD1-CZ 3.96Å; F1491-F1593 HydrophobicContact CE1-CD2 4.19Å; F1491-F1593 HydrophobicContact CE1-CE2 4.47Å; F1491-F1593 HydrophobicContact CE1-CG 4.49Å; F1491-F1593 HydrophobicContact CG-CD2 4.13Å; F1491-F1593 AromaticContact CG-CE2 3.84Å; F1491-F1593 HydrophobicContact CG-CE2 3.84Å
1492P73.4Confident81.7Confident20 Ų2041.6 Ų41.613%0.1321%0.208CC..  trans-71.2147.1177.130.5-34.6000110.9I1494 L1514P1492-I1494 WeakPolarHBondContact O-CG1 3.37Å; P1492-I1494 PolarHBondContact O-N 3.12Å; P1492-L1514 HydrophobicContact CB-CD2 4.28Å
1493W76.7Confident81.5Confident2 Ų242.5 Ų42.51%0.00821%0.213CC..  trans-53127.9162.2-64.187.9000110.4Y1498 R1512 F1568 I1571 W1575 K1586 E1587 L1588W1493-Y1498 HydrophobicContact CE3-CE2 4.26Å; W1493-Y1498 AromaticContact CE3-CZ 3.86Å; W1493-Y1498 HydrophobicContact CZ3-CE1 4.48Å; W1493-Y1498 HydrophobicContact CZ3-CE2 4.41Å; W1493-R1512 WeakPolarHBondContact O-CD 3.35Å; W1493-F1568 HydrophobicContact CH2-CE2 4.37Å; W1493-I1571 HydrophobicContact CH2-CG2 4.3Å; W1493-I1571 HydrophobicContact CZ3-CG2 3.8Å; W1493-W1575 HydrophobicContact CB-CE3 3.97Å; W1493-W1575 HydrophobicContact CB-CZ3 3.75Å; W1493-W1575 AromaticContact CD2-CE3 3.86Å; W1493-W1575 HydrophobicContact CD2-CE3 3.86Å; W1493-W1575 HydrophobicContact CD2-CZ3 4.49Å; W1493-W1575 HydrophobicContact CE3-CB 4.35Å; W1493-W1575 HydrophobicContact CE3-CE3 4.13Å; W1493-W1575 AromaticContact CG-CE3 3.81Å; W1493-W1575 HydrophobicContact CG-CE3 3.81Å; W1493-W1575 AromaticContact CG-CZ3 3.96Å; W1493-W1575 HydrophobicContact CG-CZ3 3.96Å; W1493-W1575 HydrophobicContact CH2-CB 4.23Å; W1493-W1575 HydrophobicContact CZ3-CB 4.01Å; W1493-K1586 PolarHBondContact NE1-O 3.15Å; W1493-E1587 VanDerWaalsContact CD1-OE2 3.32Å; W1493-L1588 HydrophobicContact CD2-CD1 4.13Å; W1493-L1588 HydrophobicContact CD2-CD2 3.83Å; W1493-L1588 HydrophobicContact CD2-CG 3.77Å; W1493-L1588 HydrophobicContact CE3-CD1 4.02Å; W1493-L1588 HydrophobicContact CE3-CD2 3.83Å; W1493-L1588 HydrophobicContact CE3-CG 4.04Å; W1493-L1588 HydrophobicContact CG-CD1 4.35Å; W1493-L1588 HydrophobicContact CG-CG 4.06Å; W1493-L1588 HydrophobicContact CH2-CD2 3.8Å; W1493-L1588 HydrophobicContact CZ2-CD2 3.78Å; W1493-L1588 HydrophobicContact CZ3-CD2 3.83Å
1494I75.9Confident81Confident25 Ų2544.8 Ų44.813%0.12823%0.225CC..  trans-102.8-36.1-176.7-56.7-167.3000112.5P1492 F1511 R1512 F1593P1492-I1494 WeakPolarHBondContact O-CG1 3.37Å; P1492-I1494 PolarHBondContact O-N 3.12Å; I1494-F1511 HydrophobicContact CG2-CD1 4.16Å; I1494-F1511 WeakPolarHBondContact O-CA 3.24Å; I1494-R1512 PolarHBondContact O-N 2.87Å; I1494-F1593 HydrophobicContact CD1-CE1 3.61Å; I1494-F1593 HydrophobicContact CD1-CZ 4.01Å; I1494-F1593 HydrophobicContact CG1-CE1 4.16Å; I1494-F1593 HydrophobicContact CG1-CZ 4.18Å
1495L83.5Confident80.6Confident3 Ų345.1 Ų45.12%0.01623%0.227CC..BIsolated β-bridgetrans-92.6150176.2-55.1172.5000110.2Y1498 L1503 L1505 N1510 F1511 W1624 I1634L1495-Y1498 HydrophobicContact CB-CE1 4.11Å; L1495-Y1498 HydrophobicContact CB-CE2 4.4Å; L1495-Y1498 WeakPolarHBondContact CB-OH 3.48Å; L1495-Y1498 WeakPolarHBondContact O-CE2 3.31Å; L1495-Y1498 PolarHBondContact O-OH 3.04Å; L1495-L1503 HydrophobicContact CD1-CD2 3.67Å; L1495-L1503 HydrophobicContact CD2-CD2 4.2Å; L1495-L1505 HydrophobicContact CD2-CD2 4.33Å; L1495-N1510 WeakPolarHBondContact CA-O 3.05Å; L1495-F1511 HydrophobicContact CD2-CD1 4.16Å; L1495-F1511 HydrophobicContact CD2-CE1 4.07Å; L1495-W1624 HydrophobicContact CD1-CH2 3.85Å; L1495-W1624 HydrophobicContact CD1-CZ2 3.66Å; L1495-I1634 HydrophobicContact CD1-CG2 4.35Å
1496S81.5Confident80.5Confident35 Ų3551.9 Ų51.925%0.24526%0.256CS..SBendtrans-105-19.6173.254.20000112.7A1509 N1510 F1511 W1575S1496-A1509 PolarHBondContact OG-O 3.01Å; S1496-N1510 PolarHBondContact N-O 3.32Å; S1496-N1510 PolarHBondContact OG-O 2.96Å; S1496-N1510 VanDerWaalsContact OG-O 3.13Å; S1496-F1511 PolarHBondContact OG-N 2.78Å; S1496-F1511 PolarHBondContact OG-O 3.48Å; S1496-W1575 PolarHBondContact O-NE1 3.43Å
1497N85.1Confident80.6Confident35 Ų3552.2 Ų52.219%0.18725%0.254CS..  trans-110.3110.1-173.6177.64.5000111.6E1499 S1500 L1503 N1510 W1624N1497-E1499 PolarHBondContact OD1-N 3.32Å; N1497-E1499 VanDerWaalsContact OD1-N 3.16Å; N1497-S1500 PolarHBondContact ND2-OG 3.29Å; N1497-S1500 PolarHBondContact OD1-N 2.77Å; N1497-S1500 VanDerWaalsContact OD1-N 3.13Å; N1497-S1500 PolarHBondContact OD1-OG 3.05Å; N1497-L1503 HydrophobicContact CB-CD1 4.27Å; N1497-N1510 PolarHBondContact ND2-OD1 3.33Å; N1497-W1624 PolarHBondContact O-NE1 3.18Å; N1497-W1624 VanDerWaalsContact O-NE1 3.12Å
1498Y87.8Confident80.3Confident8 Ų855.7 Ų55.73%0.03128%0.28CS..  trans-119.911.8176.6-57.4-82.8000112.6W1493 L1495 I1571 W1575 P1622 P1623 W1624W1493-Y1498 HydrophobicContact CE3-CE2 4.26Å; W1493-Y1498 AromaticContact CE3-CZ 3.86Å; W1493-Y1498 HydrophobicContact CZ3-CE1 4.48Å; W1493-Y1498 HydrophobicContact CZ3-CE2 4.41Å; L1495-Y1498 HydrophobicContact CB-CE1 4.11Å; L1495-Y1498 HydrophobicContact CB-CE2 4.4Å; L1495-Y1498 WeakPolarHBondContact CB-OH 3.48Å; L1495-Y1498 WeakPolarHBondContact O-CE2 3.31Å; L1495-Y1498 PolarHBondContact O-OH 3.04Å; Y1498-I1571 HydrophobicContact CD1-CG2 3.82Å; Y1498-I1571 HydrophobicContact CE1-CG2 3.8Å; Y1498-W1575 HydrophobicContact CD2-CB 3.79Å; Y1498-W1575 AromaticContact CD2-CD1 3.41Å; Y1498-W1575 VanDerWaalsContact CD2-CD1 3.41Å; Y1498-W1575 HydrophobicContact CD2-CD2 4.35Å; Y1498-W1575 AromaticContact CD2-CG 3.57Å; Y1498-W1575 HydrophobicContact CD2-CG 3.57Å; Y1498-W1575 HydrophobicContact CE2-CB 3.8Å; Y1498-W1575 AromaticContact CE2-CD1 3.68Å; Y1498-W1575 AromaticContact CE2-CD2 3.83Å; Y1498-W1575 HydrophobicContact CE2-CD2 3.83Å; Y1498-W1575 AromaticContact CE2-CG 3.47Å; Y1498-W1575 HydrophobicContact CE2-CG 3.47Å; Y1498-W1575 VanDerWaalsContact CE2-CG 3.47Å; Y1498-P1622 HydrophobicContact CD1-CB 4.45Å; Y1498-P1622 HydrophobicContact CD1-CG 3.66Å; Y1498-P1622 HydrophobicContact CG-CG 4.39Å; Y1498-P1623 WeakPolarHBondContact O-CD 3.19Å; Y1498-W1624 HydrophobicContact CD1-CZ2 4.22Å
1499E86.3Confident80.1Confident155 Ų15559.6 Ų59.672%0.72431%0.312SS*.SBendtrans-111.9-26.4-172.7-63.6-178.1173.800113.1N1497N1497-E1499 PolarHBondContact OD1-N 3.32Å; N1497-E1499 VanDerWaalsContact OD1-N 3.16Å
1500S86.4Confident79.9Confident33 Ų3360.6 Ų60.623%0.23132%0.318CS..  trans-71.7149.1-177.964.10000113.3N1497 E1502 W1624N1497-S1500 PolarHBondContact ND2-OG 3.29Å; N1497-S1500 PolarHBondContact OD1-N 2.77Å; N1497-S1500 VanDerWaalsContact OD1-N 3.13Å; N1497-S1500 PolarHBondContact OD1-OG 3.05Å; S1500-E1502 VanDerWaalsContact C-N 3.28Å; S1500-E1502 VanDerWaalsContact CB-O 3.31Å; S1500-E1502 WeakPolarHBondContact CB-O 3.48Å; S1500-E1502 PolarHBondContact O-N 3.3Å; S1500-E1502 PolarHBondContact OG-O 2.88Å; S1500-W1624 VanDerWaalsContact O-CD1 3.3Å; S1500-W1624 PolarHBondContact O-N 3.18Å
1501K86.9Confident79.9Confident185 Ų18561.2 Ų61.280%0.80432%0.318SS*.SBendtrans-68.3-25.6174.6-68.8-175.2177.7-179.10113.6W1624K1501-W1624 VanDerWaalsContact O-CA 3.3Å; K1501-W1624 WeakPolarHBondContact O-CA 3.38Å
1502E83.8Confident79.6Confident168 Ų16862.5 Ų62.579%0.78532%0.323SS*.SBendtrans-134149.3175.7-63.3-171.5165.700109.5S1500S1500-E1502 VanDerWaalsContact C-N 3.28Å; S1500-E1502 VanDerWaalsContact CB-O 3.31Å; S1500-E1502 WeakPolarHBondContact CB-O 3.48Å; S1500-E1502 PolarHBondContact O-N 3.3Å; S1500-E1502 PolarHBondContact OG-O 2.88Å
1503L83.5Confident79.2Confident26 Ų2664.9 Ų64.914%0.13634%0.335CS..  trans-124103-178.5-175.479000110.1L1495 N1497 L1505 N1510 W1624 I1634L1495-L1503 HydrophobicContact CD1-CD2 3.67Å; L1495-L1503 HydrophobicContact CD2-CD2 4.2Å; N1497-L1503 HydrophobicContact CB-CD1 4.27Å; L1503-L1505 HydrophobicContact CD2-CD2 3.61Å; L1503-L1505 HydrophobicContact CG-CD2 4.07Å; L1503-L1505 PolarHBondContact O-N 3.07Å; L1503-N1510 HydrophobicContact CD1-CB 3.93Å; L1503-W1624 HydrophobicContact CB-CB 4.02Å; L1503-W1624 HydrophobicContact CB-CD2 3.91Å; L1503-W1624 HydrophobicContact CB-CE3 4.47Å; L1503-W1624 HydrophobicContact CB-CG 3.68Å; L1503-W1624 HydrophobicContact CD2-CD2 4.05Å; L1503-W1624 HydrophobicContact CD2-CE3 4.28Å; L1503-W1624 HydrophobicContact CD2-CH2 4.21Å; L1503-W1624 HydrophobicContact CD2-CZ2 3.94Å; L1503-W1624 HydrophobicContact CD2-CZ3 4.36Å; L1503-I1634 HydrophobicContact CD2-CG2 3.78Å
1504D79.2Confident78.6Confident67 Ų6766.1 Ų66.136%0.35834%0.342SS..  trans-81.8105.9172.8-176.612000110.8K1506 Q1507 N1510D1504-K1506 PolarHBondContact O-N 3.02Å; D1504-K1506 VanDerWaalsContact O-N 3.12Å; D1504-K1506 WeakPolarHBondContact OD1-CB 3.19Å; D1504-K1506 WeakPolarHBondContact OD1-CG 3.46Å; D1504-K1506 PolarHBondContact OD1-N 3.37Å; D1504-Q1507 HydrophobicContact CB-CG 4.02Å; D1504-Q1507 PolarHBondContact O-N 3.5Å; D1504-Q1507 VanDerWaalsContact O-N 3.16Å; D1504-Q1507 PolarHBondContact OD2-NE2 2.93Å; D1504-N1510 PolarHBondContact O-ND2 3.18Å
1505L74.7Confident77.7Confident21 Ų2168.5 Ų68.511%0.1136%0.36CS..THydrogen-bonded Turntrans-66.5-5.5174.8-59.5-175.3000113.5L1495 L1503 F1511 I1634 Q1637 R1641L1495-L1505 HydrophobicContact CD2-CD2 4.33Å; L1503-L1505 HydrophobicContact CD2-CD2 3.61Å; L1503-L1505 HydrophobicContact CG-CD2 4.07Å; L1503-L1505 PolarHBondContact O-N 3.07Å; L1505-F1511 HydrophobicContact CD2-CZ 4.38Å; L1505-F1511 WeakPolarHBondContact O-CE2 3.46Å; L1505-I1634 HydrophobicContact CD1-CD1 4.35Å; L1505-I1634 HydrophobicContact CD1-CG2 4.41Å; L1505-I1634 HydrophobicContact CD2-CG2 4.16Å; L1505-Q1637 HydrophobicContact CD1-CB 4.28Å; L1505-R1641 PolarHBondContact O-NH1 3.05Å
1506K75.1Confident76.2Confident149 Ų14975.1 Ų75.165%0.64839%0.389SS*.THydrogen-bonded Turntrans-77.4-27171.6-57174.1-177176.30112.7D1504 P1508D1504-K1506 PolarHBondContact O-N 3.02Å; D1504-K1506 VanDerWaalsContact O-N 3.12Å; D1504-K1506 WeakPolarHBondContact OD1-CB 3.19Å; D1504-K1506 WeakPolarHBondContact OD1-CG 3.46Å; D1504-K1506 PolarHBondContact OD1-N 3.37Å; K1506-P1508 WeakPolarHBondContact O-CD 3.44Å
1507Q75.7Confident74.4Confident103 Ų10374.9 Ų74.948%0.48138%0.383SS..  trans-81.9119.8-175.3-62.8-61.4-24.700112.2D1504 A1509 N1510 F1511D1504-Q1507 HydrophobicContact CB-CG 4.02Å; D1504-Q1507 PolarHBondContact O-N 3.5Å; D1504-Q1507 VanDerWaalsContact O-N 3.16Å; D1504-Q1507 PolarHBondContact OD2-NE2 2.93Å; Q1507-A1509 PolarHBondContact O-N 3.15Å; Q1507-N1510 PolarHBondContact O-N 3.07Å; Q1507-F1511 WeakPolarHBondContact O-CD2 3.27Å; Q1507-F1511 WeakPolarHBondContact O-CE2 3.13Å
1508P70.8Confident72.4Confident105 Ų10574.6 Ų74.668%0.68238%0.38SS*.G310 helixtrans-58.7-29.9176.6-2636.1000113.9K1506 N1510 F1511K1506-P1508 WeakPolarHBondContact O-CD 3.44Å; P1508-N1510 VanDerWaalsContact C-N 3.25Å; P1508-N1510 PolarHBondContact O-N 2.95Å; P1508-F1511 PolarHBondContact O-N 3.18Å
1509A77.6Confident70.1Confident84 Ų8476 Ų7669%0.69439%0.388SS*.G310 helixtrans-65.9-22.6-178.900000114.4S1496 Q1507 F1511S1496-A1509 PolarHBondContact OG-O 3.01Å; Q1507-A1509 PolarHBondContact O-N 3.15Å; A1509-F1511 PolarHBondContact O-N 3.48Å
1510N80.5Confident67.5Low22 Ų2271.6 Ų71.612%0.11837%0.374CS..G310 helixtrans-76.4-8.1176.9-76-29000113.3L1495 S1496 N1497 L1503 D1504 Q1507 P1508L1495-N1510 WeakPolarHBondContact CA-O 3.05Å; S1496-N1510 PolarHBondContact N-O 3.32Å; S1496-N1510 PolarHBondContact OG-O 2.96Å; S1496-N1510 VanDerWaalsContact OG-O 3.13Å; N1497-N1510 PolarHBondContact ND2-OD1 3.33Å; L1503-N1510 HydrophobicContact CD1-CB 3.93Å; D1504-N1510 PolarHBondContact O-ND2 3.18Å; Q1507-N1510 PolarHBondContact O-N 3.07Å; P1508-N1510 VanDerWaalsContact C-N 3.25Å; P1508-N1510 PolarHBondContact O-N 2.95Å
1511F75.1Confident65.1Low36 Ų3676.8 Ų76.816%0.15840%0.399CS..BIsolated β-bridgetrans-97144.7178.2-63.9-84.5000111.1I1494 L1495 S1496 L1505 Q1507 P1508 A1509 D1513I1494-F1511 HydrophobicContact CG2-CD1 4.16Å; I1494-F1511 WeakPolarHBondContact O-CA 3.24Å; L1495-F1511 HydrophobicContact CD2-CD1 4.16Å; L1495-F1511 HydrophobicContact CD2-CE1 4.07Å; S1496-F1511 PolarHBondContact OG-N 2.78Å; S1496-F1511 PolarHBondContact OG-O 3.48Å; L1505-F1511 HydrophobicContact CD2-CZ 4.38Å; L1505-F1511 WeakPolarHBondContact O-CE2 3.46Å; Q1507-F1511 WeakPolarHBondContact O-CD2 3.27Å; Q1507-F1511 WeakPolarHBondContact O-CE2 3.13Å; P1508-F1511 PolarHBondContact O-N 3.18Å; A1509-F1511 PolarHBondContact O-N 3.48Å; F1511-D1513 PolarHBondContact O-N 3.1Å
1512R73.1Confident62.7Low31 Ų3169.6 Ų69.612%0.11737%0.369CS..  trans-63122.6165.7179.4-179.3174.2-172.2-10.7107.4W1493 I1494 L1514 W1575 E1587W1493-R1512 WeakPolarHBondContact O-CD 3.35Å; I1494-R1512 PolarHBondContact O-N 2.87Å; R1512-L1514 VanDerWaalsContact C-N 3.29Å; R1512-L1514 HydrophobicContact CB-CD2 4.31Å; R1512-L1514 HydrophobicContact CG-CD2 4.09Å; R1512-L1514 PolarHBondContact O-N 3.14Å; R1512-W1575 HydrophobicContact CB-CH2 4.27Å; R1512-W1575 HydrophobicContact CG-CH2 3.85Å; R1512-W1575 HydrophobicContact CG-CZ3 4.49Å; R1512-E1587 IonicContact NH1-OE1 3.79Å; R1512-E1587 IonicContact NH1-OE2 3.88Å; R1512-E1587 PolarHBondContact NH1-OE2 3.48Å; R1512-E1587 IonicContact NH2-OE1 2.66Å
1513D64.1Low60.4Low69 Ų6965.9 Ų65.937%0.36936%0.357SS..  trans-67.594.2166.4-178.4-0.4000108.5F1511 S1515 K1516F1511-D1513 PolarHBondContact O-N 3.1Å; D1513-S1515 PolarHBondContact O-N 3.48Å; D1513-S1515 WeakPolarHBondContact OD1-CB 3.3Å; D1513-S1515 PolarHBondContact OD1-N 2.95Å; D1513-S1515 PolarHBondContact OD1-OG 3.49Å; D1513-S1515 PolarHBondContact OD2-OG 3.29Å; D1513-K1516 HydrophobicContact CB-CD 4.29Å; D1513-K1516 HydrophobicContact CB-CG 4.41Å; D1513-K1516 PolarHBondContact O-N 3.32Å; D1513-K1516 WeakPolarHBondContact OD2-CD 3.44Å; D1513-K1516 WeakPolarHBondContact OD2-CE 3.38Å; D1513-K1516 IonicContact OD2-NZ 3.83Å; D1513-K1516 PolarHBondContact OD2-NZ 2.65Å
1514L63.6Low58Low29 Ų2974.1 Ų74.115%0.15239%0.392CS..THydrogen-bonded Turntrans-60.2-28.4-177.8-56.9176.1000110.7P1492 R1512 K1516 L1644 F1673P1492-L1514 HydrophobicContact CB-CD2 4.28Å; R1512-L1514 VanDerWaalsContact C-N 3.29Å; R1512-L1514 HydrophobicContact CB-CD2 4.31Å; R1512-L1514 HydrophobicContact CG-CD2 4.09Å; R1512-L1514 PolarHBondContact O-N 3.14Å; L1514-K1516 PolarHBondContact O-N 3.33Å; L1514-L1644 HydrophobicContact CD1-CD2 4.22Å; L1514-F1673 HydrophobicContact CB-CE1 4.07Å; L1514-F1673 HydrophobicContact CB-CZ 3.55Å; L1514-F1673 WeakPolarHBondContact O-CD1 3.48Å; L1514-F1673 WeakPolarHBondContact O-CE1 3.4Å; L1514-F1673 WeakPolarHBondContact O-CE2 3.39Å; L1514-F1673 WeakPolarHBondContact O-CZ 3.37Å
1515S57.2Low55.9Low74 Ų7475.5 Ų75.552%0.51741%0.407SS..THydrogen-bonded Turntrans-56.3-24176.782.20000113.6D1513 R1517 F1673D1513-S1515 PolarHBondContact O-N 3.48Å; D1513-S1515 WeakPolarHBondContact OD1-CB 3.3Å; D1513-S1515 PolarHBondContact OD1-N 2.95Å; D1513-S1515 PolarHBondContact OD1-OG 3.49Å; D1513-S1515 PolarHBondContact OD2-OG 3.29Å; S1515-R1517 PolarHBondContact O-N 2.86Å; S1515-F1673 VanDerWaalsContact CA-CD1 3.46Å
1516K52.4Low53.8Low143 Ų14380.4 Ų80.462%0.62242%0.424SS*.SBendtrans-90.3104.6176.8-65.5-179.4177108.50110.5D1513 L1514D1513-K1516 HydrophobicContact CB-CD 4.29Å; D1513-K1516 HydrophobicContact CB-CG 4.41Å; D1513-K1516 PolarHBondContact O-N 3.32Å; D1513-K1516 WeakPolarHBondContact OD2-CD 3.44Å; D1513-K1516 WeakPolarHBondContact OD2-CE 3.38Å; D1513-K1516 IonicContact OD2-NZ 3.83Å; D1513-K1516 PolarHBondContact OD2-NZ 2.65Å; L1514-K1516 PolarHBondContact O-N 3.33Å
1517R43.5Very low51.7Low29 Ų2986 Ų8611%0.10944%0.441CS..  trans-54.9135171.6-69.3179.5148.1-142.6-14112.6S1515 L1519 I1670 F1673 Q1674S1515-R1517 PolarHBondContact O-N 2.86Å; R1517-L1519 VanDerWaalsContact C-N 3.3Å; R1517-L1519 PolarHBondContact O-N 3.41Å; R1517-I1670 HydrophobicContact CB-CG2 4.32Å; R1517-I1670 HydrophobicContact CG-CG2 3.96Å; R1517-I1670 PolarHBondContact NE-O 3.33Å; R1517-I1670 VanDerWaalsContact NH2-C 3.33Å; R1517-I1670 PolarHBondContact NH2-O 3.16Å; R1517-F1673 HydrophobicContact CG-CB 3.72Å; R1517-F1673 PolarHBondContact NE-O 3.31Å; R1517-Q1674 VanDerWaalsContact CZ-CB 3.45Å; R1517-Q1674 VanDerWaalsContact CZ-CD 3.49Å
1518F42.4Very low49.4Very low29 Ų2985.4 Ų85.413%0.12745%0.448CS..Hα-helixtrans-55.5-47.4161.8-108.2-52.5000111.6S1520 W1575 C1578 L1579F1518-S1520 VanDerWaalsContact C-N 3.31Å; F1518-S1520 PolarHBondContact O-N 3.21Å; F1518-W1575 HydrophobicContact CE2-CZ3 4.1Å; F1518-W1575 HydrophobicContact CZ-CE3 4.45Å; F1518-W1575 HydrophobicContact CZ-CH2 4.49Å; F1518-W1575 AromaticContact CZ-CZ3 3.9Å; F1518-W1575 HydrophobicContact CZ-CZ3 3.9Å; F1518-C1578 HydrophobicContact CE1-CB 3.92Å; F1518-C1578 WeakPolarHBondContact CE1-O 3.29Å; F1518-C1578 HydrophobicContact CE2-CB 4.17Å; F1518-C1578 HydrophobicContact CZ-CB 3.47Å; F1518-C1578 VanDerWaalsContact CZ-CB 3.47Å; F1518-L1579 HydrophobicContact CE1-CD2 3.82Å; F1518-L1579 HydrophobicContact CE1-CG 4.3Å; F1518-L1579 HydrophobicContact CZ-CD2 4.06Å; F1518-L1579 HydrophobicContact CZ-CG 4.38Å
1519L39.7Very low47.3Very low38 Ų3885.4 Ų85.420%0.19945%0.447CS..Hα-helixtrans-72.9-15.1-171.3-145.776.7000114.8R1517 L1522 V1523 L1667 I1670R1517-L1519 VanDerWaalsContact C-N 3.3Å; R1517-L1519 PolarHBondContact O-N 3.41Å; L1519-L1522 HydrophobicContact CD1-CB 4.38Å; L1519-L1522 HydrophobicContact CD1-CD1 4.24Å; L1519-L1522 PolarHBondContact O-N 3.19Å; L1519-V1523 HydrophobicContact CD2-CG2 4.1Å; L1519-V1523 HydrophobicContact CG-CG2 4.01Å; L1519-V1523 VanDerWaalsContact O-CG2 3.32Å; L1519-V1523 WeakPolarHBondContact O-CG2 3.45Å; L1519-V1523 PolarHBondContact O-N 3.34Å; L1519-L1667 HydrophobicContact CD2-CD2 4.01Å; L1519-L1667 HydrophobicContact CD2-CG 4.45Å; L1519-I1670 HydrophobicContact CB-CG2 4.3Å
1520S32.7Very low45Very low63 Ų6388 Ų8844%0.44145%0.454SS..Hα-helixtrans-74.8-29.2-177.9-1710000113.1F1518 L1522F1518-S1520 VanDerWaalsContact C-N 3.31Å; F1518-S1520 PolarHBondContact O-N 3.21Å; S1520-L1522 VanDerWaalsContact C-N 3.33Å
1521L35.5Very low42.4Very low142 Ų14290.3 Ų90.374%0.74348%0.476SS*.Hα-helixtrans-69.4-35.8168.3-80.4162.9000111.3
1522L36.8Very low40.2Very low34 Ų3493.6 Ų93.618%0.17850%0.501CS..Hα-helixtrans-75.5-42.1-174.7-127.1158000113.2L1519 S1520 K1524 S1525 T1582L1519-L1522 HydrophobicContact CD1-CB 4.38Å; L1519-L1522 HydrophobicContact CD1-CD1 4.24Å; L1519-L1522 PolarHBondContact O-N 3.19Å; S1520-L1522 VanDerWaalsContact C-N 3.33Å; L1522-K1524 VanDerWaalsContact C-N 3.29Å; L1522-K1524 PolarHBondContact O-N 3Å; L1522-S1525 PolarHBondContact O-N 2.86Å; L1522-S1525 VanDerWaalsContact O-N 3.12Å; L1522-T1582 HydrophobicContact CD2-CG2 3.79Å; L1522-T1582 HydrophobicContact CG-CG2 3.95Å
1523V35.3Very low38.2Very low90 Ų9097.1 Ų97.155%0.54552%0.521SS..Hα-helixtrans-67.8-23.1-176.2168.20000113.5L1519 S1525 R1526L1519-V1523 HydrophobicContact CD2-CG2 4.1Å; L1519-V1523 HydrophobicContact CG-CG2 4.01Å; L1519-V1523 VanDerWaalsContact O-CG2 3.32Å; L1519-V1523 WeakPolarHBondContact O-CG2 3.45Å; L1519-V1523 PolarHBondContact O-N 3.34Å; V1523-S1525 PolarHBondContact O-N 3.31Å; V1523-S1525 VanDerWaalsContact O-N 3.11Å; V1523-R1526 PolarHBondContact O-N 2.83Å
1524K32.2Very low36.9Very low199 Ų19998.5 Ų98.587%0.86553%0.532SS*.THydrogen-bonded Turntrans-62-17172.7-81.1-170.3174.8-176.70113.6L1522L1522-K1524 VanDerWaalsContact C-N 3.29Å; L1522-K1524 PolarHBondContact O-N 3Å
1525S35.6Very low35.8Very low96 Ų96100.2 Ų100.267%0.67154%0.54SS*.THydrogen-bonded Turntrans-103.5-16.4-178.3-1760000115L1522 V1523L1522-S1525 PolarHBondContact O-N 2.86Å; L1522-S1525 VanDerWaalsContact O-N 3.12Å; V1523-S1525 PolarHBondContact O-N 3.31Å; V1523-S1525 VanDerWaalsContact O-N 3.11Å
1526R31.8Very low35.2Very low124 Ų12498.7 Ų98.747%0.46853%0.525SS..  trans-119.5107.2-175.4-73-168177.4178.93.6113.9V1523 H1583V1523-R1526 PolarHBondContact O-N 2.83Å; R1526-H1583 PolarHBondContact NH2-NE2 3.34Å
1527R29.3Very low34.7Very low265 Ų26594 Ų94100%151%0.509SS*.  trans-104.19.3161.1-91.5-174.7173.1177.6-2113.5
1528S28.2Very low34.9Very low91 Ų9193.9 Ų93.964%0.63651%0.513SS*.  trans-118.9112.7-173.9-153.80000113
1529T27.5Very low35.3Very low106 Ų10693.5 Ų93.565%0.6551%0.512SS*.  trans36.2115.2138.3560000121.7A1531T1529-A1531 PolarHBondContact O-N 2.86Å
1530T28Very low35.8Very low137 Ų13791.9 Ų91.984%0.8450%0.504SS*.  67.216.7127.764.80000122.2P1532T1530-P1532 VanDerWaalsContact O-CD 3.26Å; T1530-P1532 WeakPolarHBondContact O-CD 3.46Å
1531A26Very low36.8Very low72 Ų7289.7 Ų89.760%0.59549%0.487SS*.  trans-91.9106.8165.800000111.5T1529T1529-A1531 PolarHBondContact O-N 2.86Å
1532P29.6Very low37.9Very low104 Ų10483.2 Ų83.268%0.67545%0.454SS*.  trans-68.5139.6173.128.7-33.6000110.7T1530 T1534T1530-P1532 VanDerWaalsContact O-CD 3.26Å; T1530-P1532 WeakPolarHBondContact O-CD 3.46Å; P1532-T1534 PolarHBondContact O-N 3.27Å
1533I31.8Very low38.9Very low105 Ų10581.8 Ų81.854%0.53845%0.446SS..  trans-76.2112-179-57.7170.9000108.4Q1535 V1585I1533-Q1535 VanDerWaalsContact C-N 3.3Å; I1533-Q1535 HydrophobicContact CG2-CG 3.95Å; I1533-Q1535 PolarHBondContact O-N 3.04Å; I1533-V1585 HydrophobicContact CG2-CG2 4.3Å
1534T34.9Very low40.3Very low99 Ų9977.7 Ų77.761%0.60742%0.421SS*.  trans-68.383.7172.8410000110.4P1532 P1537P1532-T1534 PolarHBondContact O-N 3.27Å; T1534-P1537 WeakPolarHBondContact O-CD 3.39Å
1535Q41.6Very low42.3Very low65 Ų6569 Ų6930%0.30438%0.384SS..Hα-helixtrans-73.4-25.2179.3-70.3-163.9-35.300113.5I1533 C1538 L1539I1533-Q1535 VanDerWaalsContact C-N 3.3Å; I1533-Q1535 HydrophobicContact CG2-CG 3.95Å; I1533-Q1535 PolarHBondContact O-N 3.04Å; Q1535-C1538 PolarHBondContact O-N 2.97Å; Q1535-L1539 PolarHBondContact O-N 3.42Å
1536L44.9Very low44.4Very low41 Ų4164.4 Ų64.422%0.21535%0.352CS..Hα-helixtrans-58.6-45.6-173.2-176.967000114.1L1485 L1540 L1556L1485-L1536 HydrophobicContact CB-CD1 3.46Å; L1485-L1536 VanDerWaalsContact CB-CD1 3.46Å; L1536-L1540 HydrophobicContact CD1-CD1 4.46Å; L1536-L1540 PolarHBondContact O-N 3.43Å; L1536-L1556 HydrophobicContact CD2-CD1 3.73Å; L1536-L1556 HydrophobicContact CG-CD1 4.02Å
1537P41.8Very low47Very low44 Ų4458.5 Ų58.529%0.28633%0.33SS..Hα-helixtrans-61.5-46.6175.1-22.834.7000112.3T1534 L1539 L1540 I1541T1534-P1537 WeakPolarHBondContact O-CD 3.39Å; P1537-L1539 PolarHBondContact O-N 3.02Å; P1537-L1539 VanDerWaalsContact O-N 3.12Å; P1537-L1540 PolarHBondContact O-N 3.29Å; P1537-I1541 HydrophobicContact CB-CD1 4.5Å; P1537-I1541 WeakPolarHBondContact O-CD1 3.22Å; P1537-I1541 WeakPolarHBondContact O-CG1 3.02Å; P1537-I1541 PolarHBondContact O-N 2.87Å; P1537-I1541 VanDerWaalsContact O-N 3.09Å
1538C47Very low49.5Very low28 Ų2846.7 Ų46.719%0.18929%0.287CS..Hα-helixtrans-56.8-32.5-176.2-79.80000114Q1535 K1586Q1535-C1538 PolarHBondContact O-N 2.97Å; C1538-K1586 HydrophobicContact CB-CG 3.86Å
1539L50.6Low52.2Low21 Ų2142.5 Ų42.511%0.1126%0.258CS..Hα-helixtrans-82.7-39.5-175.9-124152.7000112.7Y1488 V1490 Q1535 P1537 I1589Y1488-L1539 HydrophobicContact CD1-CD2 3.51Å; Y1488-L1539 HydrophobicContact CE1-CD2 4.4Å; Y1488-L1539 HydrophobicContact CG-CD2 3.84Å; V1490-L1539 HydrophobicContact CG1-CD1 3.93Å; Q1535-L1539 PolarHBondContact O-N 3.42Å; P1537-L1539 PolarHBondContact O-N 3.02Å; P1537-L1539 VanDerWaalsContact O-N 3.12Å; L1539-I1589 HydrophobicContact CD2-CG2 3.34Å; L1539-I1589 HydrophobicContact CG-CG2 4.39Å
1540L51.1Low54.8Low4 Ų437.4 Ų37.42%0.02123%0.227CC..Hα-helixtrans-69.8-32.5174.9-85.1163.5000113L1485 L1536 P1537 C1542 F1543 C1544 F1549 L1552 F1553 L1556L1485-L1540 HydrophobicContact CD1-CD1 4.13Å; L1485-L1540 HydrophobicContact CD1-CD2 4.22Å; L1485-L1540 HydrophobicContact CD1-CG 4.46Å; L1485-L1540 HydrophobicContact CD2-CD2 4.45Å; L1536-L1540 HydrophobicContact CD1-CD1 4.46Å; L1536-L1540 PolarHBondContact O-N 3.43Å; P1537-L1540 PolarHBondContact O-N 3.29Å; L1540-C1542 PolarHBondContact O-N 3.04Å; L1540-C1542 VanDerWaalsContact O-N 3.14Å; L1540-F1543 CarbonylContact O-C 3.46Å; L1540-F1543 WeakPolarHBondContact O-CA 3.28Å; L1540-F1543 PolarHBondContact O-N 2.81Å; L1540-C1544 PolarHBondContact O-N 3.07Å; L1540-C1544 VanDerWaalsContact O-N 3.17Å; L1540-C1544 PolarHBondContact O-SG 2.81Å; L1540-F1549 HydrophobicContact CD2-CB 4.14Å; L1540-F1549 HydrophobicContact CD2-CD1 3.86Å; L1540-F1549 HydrophobicContact CD2-CG 4.49Å; L1540-L1552 HydrophobicContact CD2-CB 4.29Å; L1540-F1553 HydrophobicContact CB-CB 4.44Å; L1540-F1553 HydrophobicContact CB-CD2 3.86Å; L1540-L1556 HydrophobicContact CD1-CD1 3.37Å
1541I54.2Low57.5Low16 Ų1631.2 Ų31.28%0.08219%0.189CC..THydrogen-bonded Turntrans-56.6-31.5178.7-68.9163.6000111.8P1537 F1543 F1553 M1567 F1568P1537-I1541 HydrophobicContact CB-CD1 4.5Å; P1537-I1541 WeakPolarHBondContact O-CD1 3.22Å; P1537-I1541 WeakPolarHBondContact O-CG1 3.02Å; P1537-I1541 PolarHBondContact O-N 2.87Å; P1537-I1541 VanDerWaalsContact O-N 3.09Å; I1541-F1543 PolarHBondContact O-N 3.03Å; I1541-F1553 HydrophobicContact CD1-CE2 4.42Å; I1541-F1553 HydrophobicContact CG1-CD2 4.45Å; I1541-F1553 HydrophobicContact CG1-CE2 3.53Å; I1541-F1553 HydrophobicContact CG1-CZ 3.91Å; I1541-M1567 HydrophobicContact CG2-CB 4.45Å; I1541-F1568 HydrophobicContact CG2-CB 3.69Å
1542C56.8Low60.1Low7 Ų728 Ų285%0.04716%0.162CC..THydrogen-bonded Turntrans-70.3-15.9174.5-680000114.4L1540 I1589 F1592L1540-C1542 PolarHBondContact O-N 3.04Å; L1540-C1542 VanDerWaalsContact O-N 3.14Å; C1542-I1589 HydrophobicContact CB-CD1 4.24Å; C1542-F1592 HydrophobicContact CB-CE2 4.14Å; C1542-F1592 HydrophobicContact CB-CZ 4.45Å
1543F59.7Low62.4Low3 Ų323.1 Ų23.11%0.01313%0.13CC..THydrogen-bonded Turntrans-113.4-5-175.5-88.2-63.6000114.5Y1488 L1540 I1541 L1545 Q1546 F1549 I1589 E1591 I1598Y1488-F1543 AromaticContact CE1-CE2 3.7Å; Y1488-F1543 HydrophobicContact CE1-CE2 3.7Å; Y1488-F1543 HydrophobicContact CE1-CZ 4.22Å; Y1488-F1543 HydrophobicContact CE2-CE2 4.12Å; Y1488-F1543 AromaticContact CZ-CE2 3.45Å; Y1488-F1543 VanDerWaalsContact CZ-CE2 3.45Å; Y1488-F1543 AromaticContact CZ-CZ 3.78Å; Y1488-F1543 WeakPolarHBondContact OH-CE2 3.32Å; Y1488-F1543 WeakPolarHBondContact OH-CZ 3.32Å; L1540-F1543 CarbonylContact O-C 3.46Å; L1540-F1543 WeakPolarHBondContact O-CA 3.28Å; L1540-F1543 PolarHBondContact O-N 2.81Å; I1541-F1543 PolarHBondContact O-N 3.03Å; F1543-L1545 PolarHBondContact O-N 3.16Å; F1543-Q1546 PolarHBondContact O-N 3.31Å; F1543-F1549 HydrophobicContact CB-CB 3.48Å; F1543-F1549 VanDerWaalsContact CB-CB 3.48Å; F1543-F1549 HydrophobicContact CB-CD1 4.26Å; F1543-F1549 HydrophobicContact CB-CD2 3.95Å; F1543-F1549 HydrophobicContact CB-CG 3.66Å; F1543-F1549 AromaticContact CD1-CD2 3.68Å; F1543-F1549 HydrophobicContact CD1-CD2 3.68Å; F1543-F1549 AromaticContact CD1-CE2 3.86Å; F1543-F1549 HydrophobicContact CD1-CE2 3.86Å; F1543-F1549 HydrophobicContact CD1-CG 4.22Å; F1543-F1549 HydrophobicContact CD2-CD1 4.32Å; F1543-F1549 HydrophobicContact CD2-CD2 4.46Å; F1543-F1549 HydrophobicContact CD2-CE1 4.37Å; F1543-F1549 HydrophobicContact CD2-CG 4.35Å; F1543-F1549 HydrophobicContact CD2-CZ 4.46Å; F1543-F1549 HydrophobicContact CE1-CD2 4.18Å; F1543-F1549 AromaticContact CE1-CE2 3.87Å; F1543-F1549 HydrophobicContact CE1-CE2 3.87Å; F1543-F1549 HydrophobicContact CE1-CZ 4.41Å; F1543-F1549 HydrophobicContact CE2-CE1 4.49Å; F1543-F1549 HydrophobicContact CE2-CE2 4.5Å; F1543-F1549 HydrophobicContact CE2-CZ 4.29Å; F1543-F1549 HydrophobicContact CG-CB 4.27Å; F1543-F1549 HydrophobicContact CG-CD1 4.31Å; F1543-F1549 AromaticContact CG-CD2 3.83Å; F1543-F1549 HydrophobicContact CG-CD2 3.83Å; F1543-F1549 HydrophobicContact CG-CE2 4.19Å; F1543-F1549 AromaticContact CG-CG 3.89Å; F1543-F1549 HydrophobicContact CG-CG 3.89Å; F1543-F1549 HydrophobicContact CZ-CE2 4.18Å; F1543-F1549 HydrophobicContact CZ-CZ 4.26Å; F1543-I1589 HydrophobicContact CD1-CD1 4.4Å; F1543-I1589 HydrophobicContact CD2-CD1 3.69Å; F1543-I1589 HydrophobicContact CE1-CD1 4Å; F1543-I1589 HydrophobicContact CE2-CD1 3.21Å; F1543-I1589 HydrophobicContact CE2-CG1 4.49Å; F1543-I1589 HydrophobicContact CG-CD1 4.26Å; F1543-I1589 HydrophobicContact CZ-CD1 3.4Å; F1543-E1591 HydrophobicContact CE1-CB 4.38Å; F1543-E1591 HydrophobicContact CE1-CG 3.9Å; F1543-E1591 HydrophobicContact CZ-CB 4.29Å; F1543-E1591 HydrophobicContact CZ-CG 3.69Å; F1543-I1598 HydrophobicContact CD1-CG2 4.36Å; F1543-I1598 HydrophobicContact CE1-CG2 4.13Å
1544C63Low64.7Low5 Ų518.6 Ų18.63%0.03411%0.106CC..THydrogen-bonded Turntrans-55.7-16.6-175.6-65.70000114.9L1540 Q1546 T1550 F1553 Y1605L1540-C1544 PolarHBondContact O-N 3.07Å; L1540-C1544 VanDerWaalsContact O-N 3.17Å; L1540-C1544 PolarHBondContact O-SG 2.81Å; C1544-Q1546 VanDerWaalsContact C-N 3.33Å; C1544-T1550 WeakPolarHBondContact O-CB 3.46Å; C1544-T1550 WeakPolarHBondContact O-CG2 3.38Å; C1544-T1550 PolarHBondContact O-OG1 3.35Å; C1544-F1553 WeakPolarHBondContact SG-CD1 3.42Å; C1544-F1553 WeakPolarHBondContact SG-CG 3.47Å; C1544-Y1605 WeakPolarHBondContact O-CE2 3.38Å
1545L74.7Confident66.7Low15 Ų1516 Ų168%0.0799%0.089CC..THydrogen-bonded Turntrans-80.1-5.2175.3-56.6-173.2000114.6F1543 N1601 Y1605 L1607 V1619F1543-L1545 PolarHBondContact O-N 3.16Å; L1545-N1601 HydrophobicContact CD2-CB 4.12Å; L1545-Y1605 WeakPolarHBondContact O-CE2 3.12Å; L1545-L1607 HydrophobicContact CD2-CD1 3.47Å; L1545-L1607 VanDerWaalsContact CD2-CD1 3.47Å; L1545-V1619 HydrophobicContact CD1-CG2 3.84Å
1546Q80.6Confident68.2Low1 Ų115.3 Ų15.31%0.0059%0.087CC..SBendtrans-135.1134.2-176.2-63.7-61-27.700112.4F1543 C1544 F1549 T1550 E1597 L1600 I1602F1543-Q1546 PolarHBondContact O-N 3.31Å; C1544-Q1546 VanDerWaalsContact C-N 3.33Å; Q1546-F1549 WeakPolarHBondContact O-CA 3.47Å; Q1546-F1549 WeakPolarHBondContact O-CB 3.18Å; Q1546-F1549 PolarHBondContact O-N 2.57Å; Q1546-T1550 PolarHBondContact O-N 2.97Å; Q1546-T1550 VanDerWaalsContact O-N 3.1Å; Q1546-T1550 PolarHBondContact O-OG1 3.2Å; Q1546-E1597 PolarHBondContact NE2-O 2.89Å; Q1546-L1600 PolarHBondContact NE2-O 2.81Å; Q1546-I1602 VanDerWaalsContact NE2-CD1 3.31Å
1547E85.5Confident69.4Low0 Ų015.6 Ų15.60%09%0.087CC..BIsolated β-bridgetrans-72.4150.8170.7-69.8-78.1-142.200110.8T1238 L1239 N1255 H1261 Y1370 F1549 T1551 Y1605T1238-E1547 PolarHBondContact OG1-O 2.86Å; T1238-E1547 VanDerWaalsContact OG1-O 3.09Å; L1239-E1547 PolarHBondContact N-O 3.42Å; N1255-E1547 WeakPolarHBondContact ND2-CB 3.43Å; N1255-E1547 WeakPolarHBondContact ND2-CG 3.31Å; H1261-E1547 IonicContact CD2-OE1 3.22Å; H1261-E1547 IonicContact CE1-OE1 2.99Å; H1261-E1547 IonicContact NE2-OE1 2.71Å; H1261-E1547 PolarHBondContact NE2-OE1 3.09Å; Y1370-E1547 PolarHBondContact OH-OE1 3.37Å; Y1370-E1547 VanDerWaalsContact OH-OE1 3.07Å; E1547-F1549 VanDerWaalsContact C-N 3.3Å; E1547-T1551 PolarHBondContact OE1-OG1 2.83Å; E1547-T1551 WeakPolarHBondContact OE2-CB 3.13Å; E1547-T1551 PolarHBondContact OE2-N 2.99Å; E1547-T1551 PolarHBondContact OE2-OG1 3.39Å; E1547-Y1605 WeakPolarHBondContact CG-OH 3.34Å
1548P83.1Confident70.7Confident17 Ų1717 Ų1711%0.1111%0.11CC..THydrogen-bonded Turncis-79.9-2.20.934.6-38.2000114.3Y1370 T1550 T1551 L1552Y1370-P1548 HydrophobicContact CD1-CB 3.64Å; Y1370-P1548 HydrophobicContact CD2-CB 3.72Å; Y1370-P1548 HydrophobicContact CE1-CB 3.99Å; Y1370-P1548 HydrophobicContact CE2-CB 4.06Å; Y1370-P1548 HydrophobicContact CG-CB 3.48Å; Y1370-P1548 VanDerWaalsContact CG-CB 3.48Å; P1548-T1550 VanDerWaalsContact C-N 3.31Å; P1548-T1550 PolarHBondContact O-N 2.79Å; P1548-T1551 PolarHBondContact O-N 3.2Å; P1548-T1551 VanDerWaalsContact O-N 3.16Å; P1548-L1552 HydrophobicContact CB-CD1 4.24Å; P1548-L1552 HydrophobicContact CG-CD1 4.13Å; P1548-L1552 VanDerWaalsContact O-CG 3.26Å; P1548-L1552 WeakPolarHBondContact O-CG 3.1Å; P1548-L1552 PolarHBondContact O-N 3.22Å
1549F83.7Confident71.9Confident2 Ų217.5 Ų17.51%0.00912%0.119CC..Hα-helixtrans-68.1-27.8-170.2-58.1-79.1000113.9L1239 L1485 Y1488 L1540 F1543 Q1546 E1547 L1552 F1553L1239-F1549 HydrophobicContact CD2-CE2 3.89Å; L1485-F1549 HydrophobicContact CD2-CD1 4.32Å; L1485-F1549 HydrophobicContact CD2-CE1 3.99Å; Y1488-F1549 HydrophobicContact CE2-CE1 4.25Å; Y1488-F1549 HydrophobicContact CE2-CZ 4.29Å; L1540-F1549 HydrophobicContact CD2-CB 4.14Å; L1540-F1549 HydrophobicContact CD2-CD1 3.86Å; L1540-F1549 HydrophobicContact CD2-CG 4.49Å; F1543-F1549 HydrophobicContact CB-CB 3.48Å; F1543-F1549 VanDerWaalsContact CB-CB 3.48Å; F1543-F1549 HydrophobicContact CB-CD1 4.26Å; F1543-F1549 HydrophobicContact CB-CD2 3.95Å; F1543-F1549 HydrophobicContact CB-CG 3.66Å; F1543-F1549 AromaticContact CD1-CD2 3.68Å; F1543-F1549 HydrophobicContact CD1-CD2 3.68Å; F1543-F1549 AromaticContact CD1-CE2 3.86Å; F1543-F1549 HydrophobicContact CD1-CE2 3.86Å; F1543-F1549 HydrophobicContact CD1-CG 4.22Å; F1543-F1549 HydrophobicContact CD2-CD1 4.32Å; F1543-F1549 HydrophobicContact CD2-CD2 4.46Å; F1543-F1549 HydrophobicContact CD2-CE1 4.37Å; F1543-F1549 HydrophobicContact CD2-CG 4.35Å; F1543-F1549 HydrophobicContact CD2-CZ 4.46Å; F1543-F1549 HydrophobicContact CE1-CD2 4.18Å; F1543-F1549 AromaticContact CE1-CE2 3.87Å; F1543-F1549 HydrophobicContact CE1-CE2 3.87Å; F1543-F1549 HydrophobicContact CE1-CZ 4.41Å; F1543-F1549 HydrophobicContact CE2-CE1 4.49Å; F1543-F1549 HydrophobicContact CE2-CE2 4.5Å; F1543-F1549 HydrophobicContact CE2-CZ 4.29Å; F1543-F1549 HydrophobicContact CG-CB 4.27Å; F1543-F1549 HydrophobicContact CG-CD1 4.31Å; F1543-F1549 AromaticContact CG-CD2 3.83Å; F1543-F1549 HydrophobicContact CG-CD2 3.83Å; F1543-F1549 HydrophobicContact CG-CE2 4.19Å; F1543-F1549 AromaticContact CG-CG 3.89Å; F1543-F1549 HydrophobicContact CG-CG 3.89Å; F1543-F1549 HydrophobicContact CZ-CE2 4.18Å; F1543-F1549 HydrophobicContact CZ-CZ 4.26Å; Q1546-F1549 WeakPolarHBondContact O-CA 3.47Å; Q1546-F1549 WeakPolarHBondContact O-CB 3.18Å; Q1546-F1549 PolarHBondContact O-N 2.57Å; E1547-F1549 VanDerWaalsContact C-N 3.3Å; F1549-L1552 HydrophobicContact CD1-CD1 4Å; F1549-L1552 PolarHBondContact O-N 3.44Å; F1549-F1553 VanDerWaalsContact O-CB 3.25Å; F1549-F1553 WeakPolarHBondContact O-CB 3.44Å; F1549-F1553 PolarHBondContact O-N 2.79Å
1550T82.4Confident73.1Confident0 Ų019.5 Ų19.50%013%0.127CC..Hα-helixtrans-54.6-58.3166.8-46.80000110.5C1544 Q1546 P1548 L1552 F1553 L1554 F1561 Y1605C1544-T1550 WeakPolarHBondContact O-CB 3.46Å; C1544-T1550 WeakPolarHBondContact O-CG2 3.38Å; C1544-T1550 PolarHBondContact O-OG1 3.35Å; Q1546-T1550 PolarHBondContact O-N 2.97Å; Q1546-T1550 VanDerWaalsContact O-N 3.1Å; Q1546-T1550 PolarHBondContact O-OG1 3.2Å; P1548-T1550 VanDerWaalsContact C-N 3.31Å; P1548-T1550 PolarHBondContact O-N 2.79Å; T1550-L1552 VanDerWaalsContact C-N 3.32Å; T1550-L1552 PolarHBondContact O-N 3.5Å; T1550-F1553 PolarHBondContact O-N 2.99Å; T1550-L1554 HydrophobicContact CG2-CD1 4.41Å; T1550-L1554 WeakPolarHBondContact O-CG 3.39Å; T1550-L1554 PolarHBondContact O-N 3.48Å; T1550-F1561 HydrophobicContact CG2-CE1 3.91Å; T1550-F1561 HydrophobicContact CG2-CZ 3.87Å; T1550-Y1605 HydrophobicContact CG2-CD1 4.34Å; T1550-Y1605 HydrophobicContact CG2-CD2 4.31Å; T1550-Y1605 HydrophobicContact CG2-CE1 3.9Å; T1550-Y1605 HydrophobicContact CG2-CE2 3.81Å; T1550-Y1605 VanDerWaalsContact OG1-CE2 3.26Å; T1550-Y1605 WeakPolarHBondContact OG1-CE2 3.46Å; T1550-Y1605 VanDerWaalsContact OG1-CZ 3.29Å; T1550-Y1605 PolarHBondContact OG1-OH 2.85Å
1551T83.8Confident74.3Confident7 Ų719.5 Ų19.54%0.04313%0.127CC..Hα-helixtrans-60.2-40.4178.9-590000112.3H1261 Q1366 V1367 Y1370 E1547 P1548 L1554 N1555H1261-T1551 PolarHBondContact NE2-OG1 2.76Å; Q1366-T1551 HydrophobicContact CB-CG2 3.84Å; V1367-T1551 HydrophobicContact CG2-CG2 3.97Å; Y1370-T1551 HydrophobicContact CD2-CG2 4.49Å; Y1370-T1551 HydrophobicContact CE2-CG2 4.06Å; E1547-T1551 PolarHBondContact OE1-OG1 2.83Å; E1547-T1551 WeakPolarHBondContact OE2-CB 3.13Å; E1547-T1551 PolarHBondContact OE2-N 2.99Å; E1547-T1551 PolarHBondContact OE2-OG1 3.39Å; P1548-T1551 PolarHBondContact O-N 3.2Å; P1548-T1551 VanDerWaalsContact O-N 3.16Å; T1551-L1554 PolarHBondContact O-N 2.92Å; T1551-N1555 PolarHBondContact O-N 3.39Å; T1551-N1555 VanDerWaalsContact O-N 3.09Å
1552L81.6Confident75Confident5 Ų519.8 Ų19.83%0.02613%0.129CC..Hα-helixtrans-63-41.9177.8-66.8168.1000112.7P1334 V1367 L1485 L1540 P1548 F1549 T1550 L1556P1334-L1552 HydrophobicContact CB-CD1 3.58Å; P1334-L1552 HydrophobicContact CB-CD2 4.38Å; P1334-L1552 WeakPolarHBondContact O-CD2 3.25Å; V1367-L1552 HydrophobicContact CB-CD2 4.34Å; V1367-L1552 HydrophobicContact CG1-CD2 3.47Å; V1367-L1552 VanDerWaalsContact CG1-CD2 3.47Å; V1367-L1552 HydrophobicContact CG2-CD2 4Å; L1485-L1552 HydrophobicContact CD1-CD1 4.35Å; L1540-L1552 HydrophobicContact CD2-CB 4.29Å; P1548-L1552 HydrophobicContact CB-CD1 4.24Å; P1548-L1552 HydrophobicContact CG-CD1 4.13Å; P1548-L1552 VanDerWaalsContact O-CG 3.26Å; P1548-L1552 WeakPolarHBondContact O-CG 3.1Å; P1548-L1552 PolarHBondContact O-N 3.22Å; F1549-L1552 HydrophobicContact CD1-CD1 4Å; F1549-L1552 PolarHBondContact O-N 3.44Å; T1550-L1552 VanDerWaalsContact C-N 3.32Å; T1550-L1552 PolarHBondContact O-N 3.5Å; L1552-L1556 PolarHBondContact O-N 3.18Å
1553F77.7Confident75.6Confident1 Ų121.3 Ų21.30%0.00414%0.135CC..Hα-helixtrans-66.3-43.9177178.1-104.7000111.6L1540 I1541 C1544 F1549 T1550 N1555 L1556 Q1557 F1561 D1562L1540-F1553 HydrophobicContact CB-CB 4.44Å; L1540-F1553 HydrophobicContact CB-CD2 3.86Å; I1541-F1553 HydrophobicContact CD1-CE2 4.42Å; I1541-F1553 HydrophobicContact CG1-CD2 4.45Å; I1541-F1553 HydrophobicContact CG1-CE2 3.53Å; I1541-F1553 HydrophobicContact CG1-CZ 3.91Å; C1544-F1553 WeakPolarHBondContact SG-CD1 3.42Å; C1544-F1553 WeakPolarHBondContact SG-CG 3.47Å; F1549-F1553 VanDerWaalsContact O-CB 3.25Å; F1549-F1553 WeakPolarHBondContact O-CB 3.44Å; F1549-F1553 PolarHBondContact O-N 2.79Å; T1550-F1553 PolarHBondContact O-N 2.99Å; F1553-N1555 PolarHBondContact O-N 3.43Å; F1553-L1556 PolarHBondContact O-N 2.84Å; F1553-L1556 VanDerWaalsContact O-N 3.14Å; F1553-Q1557 HydrophobicContact CD1-CG 4.38Å; F1553-Q1557 HydrophobicContact CD2-CG 4.24Å; F1553-Q1557 HydrophobicContact CE1-CG 4.01Å; F1553-Q1557 HydrophobicContact CE2-CG 3.85Å; F1553-Q1557 HydrophobicContact CZ-CG 3.75Å; F1553-Q1557 PolarHBondContact O-N 3.26Å; F1553-F1561 HydrophobicContact CD1-CD1 4.42Å; F1553-F1561 HydrophobicContact CE1-CD1 4.4Å; F1553-D1562 HydrophobicContact CE1-CB 4.27Å; F1553-D1562 HydrophobicContact CZ-CB 3.77Å
1554L79.3Confident76.2Confident10 Ų1021.5 Ų21.55%0.05214%0.137CC..Hα-helixtrans-58.4-46.2177.1-67.6178000111.4H1261 A1264 T1550 T1551 L1556 Q1557 G1558 G1559 F1561H1261-L1554 HydrophobicContact CB-CD1 3.93Å; A1264-L1554 HydrophobicContact CB-CD1 3.77Å; A1264-L1554 HydrophobicContact CB-CD2 3.72Å; A1264-L1554 HydrophobicContact CB-CG 4.41Å; T1550-L1554 HydrophobicContact CG2-CD1 4.41Å; T1550-L1554 WeakPolarHBondContact O-CG 3.39Å; T1550-L1554 PolarHBondContact O-N 3.48Å; T1551-L1554 PolarHBondContact O-N 2.92Å; L1554-L1556 VanDerWaalsContact C-N 3.31Å; L1554-L1556 PolarHBondContact O-N 3.21Å; L1554-Q1557 CarbonylContact O-C 3.52Å; L1554-Q1557 PolarHBondContact O-N 3.32Å; L1554-Q1557 VanDerWaalsContact O-N 3.09Å; L1554-G1558 PolarHBondContact O-N 3.47Å; L1554-G1558 VanDerWaalsContact O-N 3.17Å; L1554-G1559 WeakPolarHBondContact O-CA 3.22Å; L1554-G1559 PolarHBondContact O-N 2.9Å; L1554-F1561 HydrophobicContact CD2-CD1 3.92Å; L1554-F1561 HydrophobicContact CD2-CD2 4.3Å; L1554-F1561 HydrophobicContact CD2-CE1 4.05Å; L1554-F1561 HydrophobicContact CD2-CE2 4.42Å; L1554-F1561 HydrophobicContact CD2-CG 4.04Å; L1554-F1561 HydrophobicContact CD2-CZ 4.3Å
1555N78.4Confident76.5Confident45 Ų4522.3 Ų22.324%0.24114%0.141CC..Hα-helixtrans-58.4-40175.6-177.510.9000112.3D1364 V1367 T1551 F1553 Q1557D1364-N1555 WeakPolarHBondContact CB-ND2 3.4Å; V1367-N1555 HydrophobicContact CG2-CB 3.7Å; V1367-N1555 WeakPolarHBondContact CG2-ND2 3.45Å; T1551-N1555 PolarHBondContact O-N 3.39Å; T1551-N1555 VanDerWaalsContact O-N 3.09Å; F1553-N1555 PolarHBondContact O-N 3.43Å; N1555-Q1557 VanDerWaalsContact C-N 3.33Å; N1555-Q1557 PolarHBondContact O-N 2.87Å
1556L71.8Confident76.4Confident50 Ų5027.7 Ų27.726%0.26216%0.161SC..Hα-helixtrans-72.4-21.9176.6-67.1-176.6000114.5L1536 L1540 L1552 F1553 L1554L1536-L1556 HydrophobicContact CD2-CD1 3.73Å; L1536-L1556 HydrophobicContact CG-CD1 4.02Å; L1540-L1556 HydrophobicContact CD1-CD1 3.37Å; L1552-L1556 PolarHBondContact O-N 3.18Å; F1553-L1556 PolarHBondContact O-N 2.84Å; F1553-L1556 VanDerWaalsContact O-N 3.14Å; L1554-L1556 VanDerWaalsContact C-N 3.31Å; L1554-L1556 PolarHBondContact O-N 3.21Å
1557Q70.1Confident76.1Confident46 Ų4628.1 Ų28.122%0.21516%0.163CC..THydrogen-bonded Turntrans-104.819.6179.7-66.6-68.6-5.200113.3F1553 L1554 N1555 G1559 K1560F1553-Q1557 HydrophobicContact CD1-CG 4.38Å; F1553-Q1557 HydrophobicContact CD2-CG 4.24Å; F1553-Q1557 HydrophobicContact CE1-CG 4.01Å; F1553-Q1557 HydrophobicContact CE2-CG 3.85Å; F1553-Q1557 HydrophobicContact CZ-CG 3.75Å; F1553-Q1557 PolarHBondContact O-N 3.26Å; L1554-Q1557 CarbonylContact O-C 3.52Å; L1554-Q1557 PolarHBondContact O-N 3.32Å; L1554-Q1557 VanDerWaalsContact O-N 3.09Å; N1555-Q1557 VanDerWaalsContact C-N 3.33Å; N1555-Q1557 PolarHBondContact O-N 2.87Å; Q1557-G1559 PolarHBondContact O-N 3.24Å; Q1557-K1560 WeakPolarHBondContact CB-O 3.42Å
1558G69Low75.7Confident74 Ų7428.8 Ų28.876%0.76317%0.166SC*.THydrogen-bonded Turntrans71.525.717600000114.7L1554L1554-G1558 PolarHBondContact O-N 3.47Å; L1554-G1558 VanDerWaalsContact O-N 3.17Å
1559G72.8Confident75.5Confident38 Ų3828.9 Ų28.939%0.39217%0.165SC..THydrogen-bonded Turntrans95.3-1.5173.300000115.7A1264 L1554 Q1557A1264-G1559 WeakPolarHBondContact CB-O 3.45Å; L1554-G1559 WeakPolarHBondContact O-CA 3.22Å; L1554-G1559 PolarHBondContact O-N 2.9Å; Q1557-G1559 PolarHBondContact O-N 3.24Å
1560K76Confident75.6Confident64 Ų6429.4 Ų29.428%0.27817%0.168SC..SBendtrans-123.7156.4-179.1-65.2-177.9-177.8172.90112.4A1264 L1266 E1270 Q1557A1264-K1560 WeakPolarHBondContact O-CA 3.37Å; L1266-K1560 HydrophobicContact CD1-CB 3.96Å; L1266-K1560 HydrophobicContact CD1-CD 3.94Å; E1270-K1560 IonicContact OE1-NZ 2.79Å; E1270-K1560 PolarHBondContact OE1-NZ 2.76Å; E1270-K1560 IonicContact OE2-NZ 2.75Å; E1270-K1560 PolarHBondContact OE2-NZ 3.08Å; Q1557-K1560 WeakPolarHBondContact CB-O 3.42Å
1561F75.8Confident75.8Confident4 Ų429.4 Ų29.42%0.01817%0.168CC..PPolyproline II helixtrans-65.9147.5169.7-69.4-70000110.7A1264 T1550 F1553 L1554 M1567 Y1605 L1607A1264-F1561 HydrophobicContact CB-CD2 3.94Å; A1264-F1561 HydrophobicContact CB-CE2 3.87Å; A1264-F1561 WeakPolarHBondContact O-CD2 3.48Å; A1264-F1561 PolarHBondContact O-N 3.04Å; T1550-F1561 HydrophobicContact CG2-CE1 3.91Å; T1550-F1561 HydrophobicContact CG2-CZ 3.87Å; F1553-F1561 HydrophobicContact CD1-CD1 4.42Å; F1553-F1561 HydrophobicContact CE1-CD1 4.4Å; L1554-F1561 HydrophobicContact CD2-CD1 3.92Å; L1554-F1561 HydrophobicContact CD2-CD2 4.3Å; L1554-F1561 HydrophobicContact CD2-CE1 4.05Å; L1554-F1561 HydrophobicContact CD2-CE2 4.42Å; L1554-F1561 HydrophobicContact CD2-CG 4.04Å; L1554-F1561 HydrophobicContact CD2-CZ 4.3Å; F1561-M1567 HydrophobicContact CB-CE 4.33Å; F1561-M1567 HydrophobicContact CB-SD 4.36Å; F1561-M1567 HydrophobicContact CD1-SD 4.49Å; F1561-Y1605 HydrophobicContact CZ-CD1 4.48Å; F1561-Y1605 HydrophobicContact CZ-CG 4.2Å; F1561-L1607 HydrophobicContact CD1-CD2 3.83Å; F1561-L1607 HydrophobicContact CD2-CD2 4.35Å; F1561-L1607 HydrophobicContact CE1-CD2 3.72Å; F1561-L1607 HydrophobicContact CE2-CD2 4.25Å; F1561-L1607 HydrophobicContact CG-CD2 4.16Å; F1561-L1607 HydrophobicContact CZ-CD2 3.94Å
1562D69.4Low75.9Confident22 Ų2229.6 Ų29.612%0.11817%0.172CC..PPolyproline II helixtrans-69163.5174.3-169.820.6000110.9F1553 A1564 R1566 M1567F1553-D1562 HydrophobicContact CE1-CB 4.27Å; F1553-D1562 HydrophobicContact CZ-CB 3.77Å; D1562-A1564 PolarHBondContact O-N 3.27Å; D1562-R1566 IonicContact OD1-CZ 2.7Å; D1562-R1566 IonicContact OD1-NE 3.52Å; D1562-R1566 PolarHBondContact OD1-NE 3.44Å; D1562-R1566 IonicContact OD1-NH2 3.59Å; D1562-R1566 PolarHBondContact OD1-NH2 3.05Å; D1562-R1566 VanDerWaalsContact OD2-CB 3.27Å; D1562-R1566 WeakPolarHBondContact OD2-CB 3.11Å; D1562-R1566 IonicContact OD2-NE 3.87Å; D1562-R1566 PolarHBondContact OD2-NE 3.12Å; D1562-M1567 HydrophobicContact CB-CG 4.34Å
1563H69.5Low76Confident38 Ų3832.2 Ų32.218%0.17618%0.184CC..PPolyproline II helixtrans-52.4133.6179.6-163.4-88.5000111D1565 R1566 M1567 D1611H1563-D1565 VanDerWaalsContact C-N 3.26Å; H1563-D1565 IonicContact CE1-OD2 3.18Å; H1563-D1565 PolarHBondContact O-N 2.76Å; H1563-D1565 VanDerWaalsContact O-N 3.12Å; H1563-R1566 HydrophobicContact CB-CG 4.43Å; H1563-R1566 VanDerWaalsContact CB-CZ 3.48Å; H1563-R1566 WeakPolarHBondContact O-CA 3.3Å; H1563-R1566 WeakPolarHBondContact O-CB 3.46Å; H1563-R1566 PolarHBondContact O-N 3.45Å; H1563-M1567 PolarHBondContact O-N 2.95Å; H1563-D1611 IonicContact CE1-OD1 3.73Å
1564A71.9Confident76.2Confident7 Ų732.4 Ų32.46%0.05819%0.186CC..G310 helixtrans-50.9-43.9-172.700000113D1562 R1566 M1567 K1609 R1610 M1616D1562-A1564 PolarHBondContact O-N 3.27Å; A1564-R1566 PolarHBondContact O-N 3.01Å; A1564-M1567 PolarHBondContact O-N 3.15Å; A1564-K1609 VanDerWaalsContact CB-C 3.48Å; A1564-K1609 VanDerWaalsContact CB-O 3.27Å; A1564-K1609 WeakPolarHBondContact CB-O 3.3Å; A1564-R1610 HydrophobicContact CB-CG 3.94Å; A1564-M1616 HydrophobicContact CB-CG 3.73Å; A1564-M1616 HydrophobicContact CB-SD 4.38Å
1565D69.7Low76.2Confident23 Ų2333 Ų3312%0.12319%0.187CC..G310 helixtrans-67.9-10.7177.2-75-79.1000116.3H1563 R1577 R1610 D1611H1563-D1565 VanDerWaalsContact C-N 3.26Å; H1563-D1565 IonicContact CE1-OD2 3.18Å; H1563-D1565 PolarHBondContact O-N 2.76Å; H1563-D1565 VanDerWaalsContact O-N 3.12Å; D1565-R1577 VanDerWaalsContact O-CZ 3.26Å; D1565-R1577 PolarHBondContact O-NH1 2.96Å; D1565-R1577 PolarHBondContact O-NH2 2.56Å; D1565-R1610 IonicContact OD1-CZ 3.82Å; D1565-R1610 IonicContact OD1-NE 3.07Å; D1565-R1610 PolarHBondContact OD1-NE 3.08Å; D1565-R1610 IonicContact OD1-NH2 2.93Å; D1565-R1610 PolarHBondContact OD1-NH2 2.93Å; D1565-R1610 WeakPolarHBondContact OD2-CA 3.42Å; D1565-R1610 WeakPolarHBondContact OD2-CB 3.33Å; D1565-D1611 PolarHBondContact OD2-N 3.08Å
1566R71.6Confident76.3Confident127 Ų12732.4 Ų32.448%0.47919%0.186SC..G310 helixtrans-96.7-18.4172.2-66.3-166-68.9-102.110.5113.2D1562 H1563 A1564D1562-R1566 IonicContact OD1-CZ 2.7Å; D1562-R1566 IonicContact OD1-NE 3.52Å; D1562-R1566 PolarHBondContact OD1-NE 3.44Å; D1562-R1566 IonicContact OD1-NH2 3.59Å; D1562-R1566 PolarHBondContact OD1-NH2 3.05Å; D1562-R1566 VanDerWaalsContact OD2-CB 3.27Å; D1562-R1566 WeakPolarHBondContact OD2-CB 3.11Å; D1562-R1566 IonicContact OD2-NE 3.87Å; D1562-R1566 PolarHBondContact OD2-NE 3.12Å; H1563-R1566 HydrophobicContact CB-CG 4.43Å; H1563-R1566 VanDerWaalsContact CB-CZ 3.48Å; H1563-R1566 WeakPolarHBondContact O-CA 3.3Å; H1563-R1566 WeakPolarHBondContact O-CB 3.46Å; H1563-R1566 PolarHBondContact O-N 3.45Å; A1564-R1566 PolarHBondContact O-N 3.01Å
1567M74.3Confident76.5Confident10 Ų1033.2 Ų33.25%0.04919%0.185CC..SBendtrans-74.2158.7179.8-64.5-151.7-76.800113I1541 F1561 D1562 H1563 A1564 H1569 L1607 M1616I1541-M1567 HydrophobicContact CG2-CB 4.45Å; F1561-M1567 HydrophobicContact CB-CE 4.33Å; F1561-M1567 HydrophobicContact CB-SD 4.36Å; F1561-M1567 HydrophobicContact CD1-SD 4.49Å; D1562-M1567 HydrophobicContact CB-CG 4.34Å; H1563-M1567 PolarHBondContact O-N 2.95Å; A1564-M1567 PolarHBondContact O-N 3.15Å; M1567-H1569 VanDerWaalsContact C-N 3.34Å; M1567-H1569 PolarHBondContact O-N 3.24Å; M1567-L1607 HydrophobicContact CE-CB 3.81Å; M1567-L1607 HydrophobicContact CE-CD2 4.05Å; M1567-L1607 HydrophobicContact CE-CG 4.46Å; M1567-L1607 VanDerWaalsContact CE-O 3.25Å; M1567-L1607 WeakPolarHBondContact CE-O 3.42Å; M1567-M1616 HydrophobicContact CB-CE 3.73Å; M1567-M1616 HydrophobicContact CE-CE 4.03Å
1568F77.8Confident76.5Confident14 Ų1431.4 Ų31.46%0.06118%0.178CC..  trans-77.181.6-179.4-174.3-93.1000110.4W1493 I1541 I1571 S1574 K1586 F1592 V1619W1493-F1568 HydrophobicContact CH2-CE2 4.37Å; I1541-F1568 HydrophobicContact CG2-CB 3.69Å; F1568-I1571 HydrophobicContact CE1-CG1 4.34Å; F1568-I1571 HydrophobicContact CZ-CG1 4.27Å; F1568-S1574 VanDerWaalsContact CD2-OG 3.22Å; F1568-S1574 WeakPolarHBondContact CD2-OG 3.5Å; F1568-S1574 WeakPolarHBondContact CE2-OG 3.25Å; F1568-K1586 HydrophobicContact CD2-CD 4.4Å; F1568-F1592 HydrophobicContact CD1-CZ 4.47Å; F1568-F1592 AromaticContact CE1-CE1 3.81Å; F1568-F1592 HydrophobicContact CE1-CE1 3.81Å; F1568-F1592 AromaticContact CE1-CZ 3.54Å; F1568-F1592 HydrophobicContact CE1-CZ 3.54Å; F1568-F1592 HydrophobicContact CE2-CZ 4.35Å; F1568-F1592 AromaticContact CZ-CE1 3.71Å; F1568-F1592 HydrophobicContact CZ-CE1 3.71Å; F1568-F1592 AromaticContact CZ-CZ 3.46Å; F1568-F1592 HydrophobicContact CZ-CZ 3.46Å; F1568-F1592 VanDerWaalsContact CZ-CZ 3.46Å; F1568-V1619 HydrophobicContact CD1-CG1 4.02Å; F1568-V1619 HydrophobicContact CD1-CG2 4.16Å; F1568-V1619 HydrophobicContact CE1-CG1 3.77Å; F1568-V1619 HydrophobicContact CE1-CG2 4.46Å
1569H78.6Confident76.6Confident19 Ų1932 Ų329%0.08816%0.163CC..  trans-91.2-26.3-176.275.279.8000114M1567 E1573 R1610 M1616 K1620M1567-H1569 VanDerWaalsContact C-N 3.34Å; M1567-H1569 PolarHBondContact O-N 3.24Å; H1569-E1573 IonicContact CE1-OE1 3.83Å; H1569-E1573 IonicContact CE1-OE2 3.97Å; H1569-E1573 PolarHBondContact CE1-OE2 2.98Å; H1569-E1573 IonicContact NE2-OE1 3.66Å; H1569-E1573 PolarHBondContact NE2-OE1 2.84Å; H1569-E1573 IonicContact NE2-OE2 2.69Å; H1569-E1573 PolarHBondContact NE2-OE2 3.3Å; H1569-E1573 VanDerWaalsContact NE2-OE2 3.07Å; H1569-R1610 PolarHBondContact CE1-NH1 2.93Å; H1569-R1610 PolarHBondContact NE2-NH1 3.5Å; H1569-R1610 VanDerWaalsContact NE2-NH1 3.15Å; H1569-M1616 HydrophobicContact CB-CE 3.72Å; H1569-M1616 HydrophobicContact CB-SD 3.67Å; H1569-K1620 WeakPolarHBondContact O-CB 3.41Å; H1569-K1620 PolarHBondContact O-N 2.8Å
1570S86.2Confident76.3Confident13 Ų1340.2 Ų40.29%0.09118%0.182CC..BIsolated β-bridgetrans-148.2134.2-175.7-178.90000111.9G1572 S1574 K1620S1570-G1572 PolarHBondContact OG-N 2.9Å; S1570-S1574 VanDerWaalsContact O-CB 3.28Å; S1570-S1574 WeakPolarHBondContact O-CB 3.29Å; S1570-S1574 PolarHBondContact O-N 3.45Å; S1570-S1574 PolarHBondContact O-OG 3.36Å; S1570-K1620 WeakPolarHBondContact CA-O 3.25Å; S1570-K1620 PolarHBondContact OG-O 2.83Å
1571I87Confident75.6Confident0 Ų040.7 Ų40.70%019%0.187CC..Hα-helixtrans-64.6-43.4178.9-54.2-173000110.7W1493 Y1498 F1568 W1575 L1599 V1619 K1620 L1621 P1622 F1631W1493-I1571 HydrophobicContact CH2-CG2 4.3Å; W1493-I1571 HydrophobicContact CZ3-CG2 3.8Å; Y1498-I1571 HydrophobicContact CD1-CG2 3.82Å; Y1498-I1571 HydrophobicContact CE1-CG2 3.8Å; F1568-I1571 HydrophobicContact CE1-CG1 4.34Å; F1568-I1571 HydrophobicContact CZ-CG1 4.27Å; I1571-W1575 WeakPolarHBondContact O-CB 3.4Å; I1571-W1575 PolarHBondContact O-N 2.87Å; I1571-L1599 HydrophobicContact CD1-CD1 4.31Å; I1571-L1599 HydrophobicContact CD1-CD2 4.17Å; I1571-V1619 HydrophobicContact CG1-CG1 3.88Å; I1571-K1620 PolarHBondContact N-O 3.25Å; I1571-L1621 HydrophobicContact CD1-CD2 4.03Å; I1571-P1622 HydrophobicContact CB-CG 4.41Å; I1571-P1622 HydrophobicContact CG2-CG 4.5Å; I1571-F1631 HydrophobicContact CD1-CD1 4.24Å; I1571-F1631 HydrophobicContact CD1-CD2 3.93Å; I1571-F1631 HydrophobicContact CD1-CE1 3.87Å; I1571-F1631 HydrophobicContact CD1-CE2 3.49Å; I1571-F1631 VanDerWaalsContact CD1-CE2 3.49Å; I1571-F1631 HydrophobicContact CD1-CG 4.28Å; I1571-F1631 HydrophobicContact CD1-CZ 3.46Å; I1571-F1631 VanDerWaalsContact CD1-CZ 3.46Å; I1571-F1631 HydrophobicContact CG2-CE2 4.02Å; I1571-F1631 HydrophobicContact CG2-CZ 4.03Å
1572G86.3Confident74.7Confident12 Ų1243 Ų4312%0.12420%0.202CC..Hα-helixtrans-72.2-36.8-179.900000114.2S1570 T1576S1570-G1572 PolarHBondContact OG-N 2.9Å; G1572-T1576 WeakPolarHBondContact O-CB 3.49Å; G1572-T1576 PolarHBondContact O-N 2.96Å; G1572-T1576 VanDerWaalsContact O-N 3.1Å; G1572-T1576 PolarHBondContact O-OG1 3.39Å
1573E82.4Confident74.2Confident59 Ų5947.8 Ų47.828%0.27622%0.223SC..Hα-helixtrans-70.3-41.1174.4-160.2-177.2117.100110.6H1569 W1575 T1576 R1577 R1610H1569-E1573 IonicContact CE1-OE1 3.83Å; H1569-E1573 IonicContact CE1-OE2 3.97Å; H1569-E1573 PolarHBondContact CE1-OE2 2.98Å; H1569-E1573 IonicContact NE2-OE1 3.66Å; H1569-E1573 PolarHBondContact NE2-OE1 2.84Å; H1569-E1573 IonicContact NE2-OE2 2.69Å; H1569-E1573 PolarHBondContact NE2-OE2 3.3Å; H1569-E1573 VanDerWaalsContact NE2-OE2 3.07Å; E1573-W1575 PolarHBondContact O-N 3.13Å; E1573-T1576 CarbonylContact O-C 3.48Å; E1573-T1576 PolarHBondContact O-N 3.35Å; E1573-R1577 WeakPolarHBondContact O-CB 3.48Å; E1573-R1577 WeakPolarHBondContact O-CG 3.38Å; E1573-R1577 PolarHBondContact O-N 3.36Å; E1573-R1577 IonicContact OE1-CZ 3.16Å; E1573-R1577 VanDerWaalsContact OE1-CZ 3.22Å; E1573-R1577 IonicContact OE1-NE 3.99Å; E1573-R1577 PolarHBondContact OE1-NE 3.16Å; E1573-R1577 IonicContact OE1-NH2 3.97Å; E1573-R1577 PolarHBondContact OE1-NH2 3.42Å; E1573-R1610 IonicContact OE1-NH2 2.79Å; E1573-R1610 PolarHBondContact OE1-NH2 2.79Å; E1573-R1610 IonicContact OE2-CZ 3.43Å; E1573-R1610 IonicContact OE2-NH1 3.59Å; E1573-R1610 PolarHBondContact OE2-NH1 2.92Å; E1573-R1610 IonicContact OE2-NH2 3.4Å
1574S81.5Confident73.7Confident5 Ų546.5 Ų46.54%0.03522%0.218CC..Hα-helixtrans-62.3-43.6177.4-59.20000112.1F1568 S1570 T1576 R1577 C1578F1568-S1574 VanDerWaalsContact CD2-OG 3.22Å; F1568-S1574 WeakPolarHBondContact CD2-OG 3.5Å; F1568-S1574 WeakPolarHBondContact CE2-OG 3.25Å; S1570-S1574 VanDerWaalsContact O-CB 3.28Å; S1570-S1574 WeakPolarHBondContact O-CB 3.29Å; S1570-S1574 PolarHBondContact O-N 3.45Å; S1570-S1574 PolarHBondContact O-OG 3.36Å; S1574-T1576 PolarHBondContact O-N 3.1Å; S1574-R1577 PolarHBondContact O-N 3.33Å; S1574-C1578 PolarHBondContact O-N 2.83Å; S1574-C1578 PolarHBondContact O-SG 3.45Å
1575W81Confident73Confident22 Ų2247.9 Ų47.98%0.08323%0.225CC..Hα-helixtrans-57.6-46.9171.7168.6-112.9000112.2W1493 S1496 Y1498 R1512 F1518 I1571 E1573 R1577 C1578 L1579W1493-W1575 HydrophobicContact CB-CE3 3.97Å; W1493-W1575 HydrophobicContact CB-CZ3 3.75Å; W1493-W1575 AromaticContact CD2-CE3 3.86Å; W1493-W1575 HydrophobicContact CD2-CE3 3.86Å; W1493-W1575 HydrophobicContact CD2-CZ3 4.49Å; W1493-W1575 HydrophobicContact CE3-CB 4.35Å; W1493-W1575 HydrophobicContact CE3-CE3 4.13Å; W1493-W1575 AromaticContact CG-CE3 3.81Å; W1493-W1575 HydrophobicContact CG-CE3 3.81Å; W1493-W1575 AromaticContact CG-CZ3 3.96Å; W1493-W1575 HydrophobicContact CG-CZ3 3.96Å; W1493-W1575 HydrophobicContact CH2-CB 4.23Å; W1493-W1575 HydrophobicContact CZ3-CB 4.01Å; S1496-W1575 PolarHBondContact O-NE1 3.43Å; Y1498-W1575 HydrophobicContact CD2-CB 3.79Å; Y1498-W1575 AromaticContact CD2-CD1 3.41Å; Y1498-W1575 VanDerWaalsContact CD2-CD1 3.41Å; Y1498-W1575 HydrophobicContact CD2-CD2 4.35Å; Y1498-W1575 AromaticContact CD2-CG 3.57Å; Y1498-W1575 HydrophobicContact CD2-CG 3.57Å; Y1498-W1575 HydrophobicContact CE2-CB 3.8Å; Y1498-W1575 AromaticContact CE2-CD1 3.68Å; Y1498-W1575 AromaticContact CE2-CD2 3.83Å; Y1498-W1575 HydrophobicContact CE2-CD2 3.83Å; Y1498-W1575 AromaticContact CE2-CG 3.47Å; Y1498-W1575 HydrophobicContact CE2-CG 3.47Å; Y1498-W1575 VanDerWaalsContact CE2-CG 3.47Å; R1512-W1575 HydrophobicContact CB-CH2 4.27Å; R1512-W1575 HydrophobicContact CG-CH2 3.85Å; R1512-W1575 HydrophobicContact CG-CZ3 4.49Å; F1518-W1575 HydrophobicContact CE2-CZ3 4.1Å; F1518-W1575 HydrophobicContact CZ-CE3 4.45Å; F1518-W1575 HydrophobicContact CZ-CH2 4.49Å; F1518-W1575 AromaticContact CZ-CZ3 3.9Å; F1518-W1575 HydrophobicContact CZ-CZ3 3.9Å; I1571-W1575 WeakPolarHBondContact O-CB 3.4Å; I1571-W1575 PolarHBondContact O-N 2.87Å; E1573-W1575 PolarHBondContact O-N 3.13Å; W1575-R1577 PolarHBondContact O-N 3.14Å; W1575-C1578 PolarHBondContact O-N 3.44Å; W1575-L1579 HydrophobicContact CD2-CD1 4.22Å; W1575-L1579 HydrophobicContact CD2-CG 4.45Å; W1575-L1579 HydrophobicContact CH2-CD1 4.47Å; W1575-L1579 HydrophobicContact CH2-CD2 4.13Å; W1575-L1579 HydrophobicContact CH2-CG 4.41Å; W1575-L1579 HydrophobicContact CZ2-CD1 3.73Å; W1575-L1579 HydrophobicContact CZ2-CD2 4.12Å; W1575-L1579 HydrophobicContact CZ2-CG 4.14Å; W1575-L1579 WeakPolarHBondContact O-CG 3.33Å; W1575-L1579 PolarHBondContact O-N 3.13Å; W1575-L1579 VanDerWaalsContact O-N 3.14Å
1576T79.7Confident72.9Confident34 Ų3447.6 Ų47.621%0.20922%0.223CC..Hα-helixtrans-65.7-36.9179-59.50000112.5G1572 E1573 S1574 L1579 R1580G1572-T1576 WeakPolarHBondContact O-CB 3.49Å; G1572-T1576 PolarHBondContact O-N 2.96Å; G1572-T1576 VanDerWaalsContact O-N 3.1Å; G1572-T1576 PolarHBondContact O-OG1 3.39Å; E1573-T1576 CarbonylContact O-C 3.48Å; E1573-T1576 PolarHBondContact O-N 3.35Å; S1574-T1576 PolarHBondContact O-N 3.1Å; T1576-L1579 PolarHBondContact O-N 3.15Å; T1576-R1580 WeakPolarHBondContact O-CG 3.34Å; T1576-R1580 PolarHBondContact O-N 2.95Å
1577R75.5Confident72.7Confident66 Ų6643.7 Ų43.725%0.24921%0.21CC..Hα-helixtrans-64.3-46.1173.4-75.6-178.9-177.5-154.65.6111.1D1565 E1573 S1574 W1575 L1579 R1580 D1581 D1584D1565-R1577 VanDerWaalsContact O-CZ 3.26Å; D1565-R1577 PolarHBondContact O-NH1 2.96Å; D1565-R1577 PolarHBondContact O-NH2 2.56Å; E1573-R1577 WeakPolarHBondContact O-CB 3.48Å; E1573-R1577 WeakPolarHBondContact O-CG 3.38Å; E1573-R1577 PolarHBondContact O-N 3.36Å; E1573-R1577 IonicContact OE1-CZ 3.16Å; E1573-R1577 VanDerWaalsContact OE1-CZ 3.22Å; E1573-R1577 IonicContact OE1-NE 3.99Å; E1573-R1577 PolarHBondContact OE1-NE 3.16Å; E1573-R1577 IonicContact OE1-NH2 3.97Å; E1573-R1577 PolarHBondContact OE1-NH2 3.42Å; S1574-R1577 PolarHBondContact O-N 3.33Å; W1575-R1577 PolarHBondContact O-N 3.14Å; R1577-L1579 PolarHBondContact O-N 3.46Å; R1577-R1580 PolarHBondContact O-N 3.42Å; R1577-D1581 PolarHBondContact O-N 3.15Å; R1577-D1584 HydrophobicContact CB-CB 4.29Å; R1577-D1584 WeakPolarHBondContact CB-OD2 3Å
1578C71.1Confident72.9Confident9 Ų943.3 Ų43.36%0.06121%0.208CC..Hα-helixtrans-55.6-39.1175.2-620000112F1518 S1574 W1575 D1584 K1586F1518-C1578 HydrophobicContact CE1-CB 3.92Å; F1518-C1578 WeakPolarHBondContact CE1-O 3.29Å; F1518-C1578 HydrophobicContact CE2-CB 4.17Å; F1518-C1578 HydrophobicContact CZ-CB 3.47Å; F1518-C1578 VanDerWaalsContact CZ-CB 3.47Å; S1574-C1578 PolarHBondContact O-N 2.83Å; S1574-C1578 PolarHBondContact O-SG 3.45Å; W1575-C1578 PolarHBondContact O-N 3.44Å; C1578-D1584 WeakPolarHBondContact CA-O 3.32Å; C1578-K1586 PolarHBondContact SG-O 3.38Å; C1578-K1586 VanDerWaalsContact SG-O 3.36Å
1579L69.5Low73.2Confident86 Ų8642.6 Ų42.645%0.4521%0.205SC..Hα-helixtrans-70-23.9176.8-71.4174.2000115.4F1518 W1575 T1576 R1577F1518-L1579 HydrophobicContact CE1-CD2 3.82Å; F1518-L1579 HydrophobicContact CE1-CG 4.3Å; F1518-L1579 HydrophobicContact CZ-CD2 4.06Å; F1518-L1579 HydrophobicContact CZ-CG 4.38Å; W1575-L1579 HydrophobicContact CD2-CD1 4.22Å; W1575-L1579 HydrophobicContact CD2-CG 4.45Å; W1575-L1579 HydrophobicContact CH2-CD1 4.47Å; W1575-L1579 HydrophobicContact CH2-CD2 4.13Å; W1575-L1579 HydrophobicContact CH2-CG 4.41Å; W1575-L1579 HydrophobicContact CZ2-CD1 3.73Å; W1575-L1579 HydrophobicContact CZ2-CD2 4.12Å; W1575-L1579 HydrophobicContact CZ2-CG 4.14Å; W1575-L1579 WeakPolarHBondContact O-CG 3.33Å; W1575-L1579 PolarHBondContact O-N 3.13Å; W1575-L1579 VanDerWaalsContact O-N 3.14Å; T1576-L1579 PolarHBondContact O-N 3.15Å; R1577-L1579 PolarHBondContact O-N 3.46Å
1580R68.4Low73.5Confident211 Ų21141.7 Ų41.780%0.79620%0.201SC*.Hα-helixtrans-117.6-37-169.3-66.4-176.3-176.2-169.44.6114.4T1576 R1577T1576-R1580 WeakPolarHBondContact O-CG 3.34Å; T1576-R1580 PolarHBondContact O-N 2.95Å; R1577-R1580 PolarHBondContact O-N 3.42Å
1581D61Low73.6Confident73 Ų7341.1 Ų41.139%0.3920%0.197SC..  trans-93.2119.4-179.6-172.7-5.8000110.8R1577 H1583 D1584R1577-D1581 PolarHBondContact O-N 3.15Å; D1581-H1583 PolarHBondContact O-N 3.23Å; D1581-H1583 VanDerWaalsContact O-N 3.07Å; D1581-H1583 IonicContact OD1-CG 2.89Å; D1581-H1583 PolarHBondContact OD1-N 2.95Å; D1581-H1583 IonicContact OD1-ND1 2.82Å; D1581-H1583 PolarHBondContact OD1-ND1 3.49Å; D1581-D1584 HydrophobicContact CB-CB 4.06Å; D1581-D1584 PolarHBondContact O-N 3.25Å
1582T56.4Low73.5Confident54 Ų5441.1 Ų41.133%0.33120%0.197SC..THydrogen-bonded Turntrans-59.1-14.5174.554.10000115.2L1522L1522-T1582 HydrophobicContact CD2-CG2 3.79Å; L1522-T1582 HydrophobicContact CG-CG2 3.95Å
1583H57.8Low73.4Confident121 Ų12141.3 Ų41.356%0.5620%0.195SC*.THydrogen-bonded Turntrans-102.6-19.2179.8-52.591.1000113.3R1526 D1581 V1585R1526-H1583 PolarHBondContact NH2-NE2 3.34Å; D1581-H1583 PolarHBondContact O-N 3.23Å; D1581-H1583 VanDerWaalsContact O-N 3.07Å; D1581-H1583 IonicContact OD1-CG 2.89Å; D1581-H1583 PolarHBondContact OD1-N 2.95Å; D1581-H1583 IonicContact OD1-ND1 2.82Å; D1581-H1583 PolarHBondContact OD1-ND1 3.49Å; H1583-V1585 PolarHBondContact O-N 2.81Å; H1583-V1585 VanDerWaalsContact O-N 3.14Å
1584D59.4Low73.6Confident12 Ų1238.9 Ų38.96%0.06418%0.183CC..  trans-89.278.7-176.5-159.7-16000111.6R1577 C1578 D1581 K1586R1577-D1584 HydrophobicContact CB-CB 4.29Å; R1577-D1584 WeakPolarHBondContact CB-OD2 3Å; C1578-D1584 WeakPolarHBondContact CA-O 3.32Å; D1581-D1584 HydrophobicContact CB-CB 4.06Å; D1581-D1584 PolarHBondContact O-N 3.25Å; D1584-K1586 VanDerWaalsContact C-N 3.32Å; D1584-K1586 PolarHBondContact O-N 2.95Å; D1584-K1586 VanDerWaalsContact OD1-CD 3.31Å; D1584-K1586 WeakPolarHBondContact OD1-CD 3.31Å; D1584-K1586 WeakPolarHBondContact OD1-CG 3.3Å; D1584-K1586 IonicContact OD1-NZ 3.65Å; D1584-K1586 PolarHBondContact OD1-NZ 2.98Å; D1584-K1586 IonicContact OD2-NZ 2.73Å; D1584-K1586 PolarHBondContact OD2-NZ 2.84Å
1585V58.1Low74Confident35 Ų3538.7 Ų38.721%0.21218%0.182CC..  trans-95.444.7-177.6-156.90000111.7I1533 H1583 E1587I1533-V1585 HydrophobicContact CG2-CG2 4.3Å; H1583-V1585 PolarHBondContact O-N 2.81Å; H1583-V1585 VanDerWaalsContact O-N 3.14Å; V1585-E1587 PolarHBondContact O-N 3.22Å
1586K67.6Low74.3Confident18 Ų1838.3 Ų38.38%0.07818%0.182CC..  trans-71.9122.5175.8-74.3171.8-168.877.50111W1493 C1538 F1568 C1578 D1584W1493-K1586 PolarHBondContact NE1-O 3.15Å; C1538-K1586 HydrophobicContact CB-CG 3.86Å; F1568-K1586 HydrophobicContact CD2-CD 4.4Å; C1578-K1586 PolarHBondContact SG-O 3.38Å; C1578-K1586 VanDerWaalsContact SG-O 3.36Å; D1584-K1586 VanDerWaalsContact C-N 3.32Å; D1584-K1586 PolarHBondContact O-N 2.95Å; D1584-K1586 VanDerWaalsContact OD1-CD 3.31Å; D1584-K1586 WeakPolarHBondContact OD1-CD 3.31Å; D1584-K1586 WeakPolarHBondContact OD1-CG 3.3Å; D1584-K1586 IonicContact OD1-NZ 3.65Å; D1584-K1586 PolarHBondContact OD1-NZ 2.98Å; D1584-K1586 IonicContact OD2-NZ 2.73Å; D1584-K1586 PolarHBondContact OD2-NZ 2.84Å
1587E67.5Low74.6Confident44 Ų4439.6 Ų39.621%0.20619%0.185CC..  trans-105.4163.4164.1-70-73-177.200109.5W1493 R1512 V1585W1493-E1587 VanDerWaalsContact CD1-OE2 3.32Å; R1512-E1587 IonicContact NH1-OE1 3.79Å; R1512-E1587 IonicContact NH1-OE2 3.88Å; R1512-E1587 PolarHBondContact NH1-OE2 3.48Å; R1512-E1587 IonicContact NH2-OE1 2.66Å; V1585-E1587 PolarHBondContact O-N 3.22Å
1588L78Confident75.1Confident2 Ų236.5 Ų36.51%0.0117%0.174CC..BIsolated β-bridgetrans-75167.3177.1-59.3179.8000111.1V1490 F1491 W1493 F1592 F1593V1490-L1588 CarbonylContact C-O 3.56Å; V1490-L1588 WeakPolarHBondContact CA-O 3.48Å; F1491-L1588 HydrophobicContact CB-CB 4.38Å; F1491-L1588 PolarHBondContact N-O 2.79Å; F1491-L1588 CarbonylContact O-C 3.55Å; F1491-L1588 WeakPolarHBondContact O-CA 3.49Å; F1491-L1588 WeakPolarHBondContact O-CB 3.45Å; F1491-L1588 PolarHBondContact O-N 3.06Å; F1491-L1588 VanDerWaalsContact O-O 3.11Å; W1493-L1588 HydrophobicContact CD2-CD1 4.13Å; W1493-L1588 HydrophobicContact CD2-CD2 3.83Å; W1493-L1588 HydrophobicContact CD2-CG 3.77Å; W1493-L1588 HydrophobicContact CE3-CD1 4.02Å; W1493-L1588 HydrophobicContact CE3-CD2 3.83Å; W1493-L1588 HydrophobicContact CE3-CG 4.04Å; W1493-L1588 HydrophobicContact CG-CD1 4.35Å; W1493-L1588 HydrophobicContact CG-CG 4.06Å; W1493-L1588 HydrophobicContact CH2-CD2 3.8Å; W1493-L1588 HydrophobicContact CZ2-CD2 3.78Å; W1493-L1588 HydrophobicContact CZ3-CD2 3.83Å; L1588-F1592 HydrophobicContact CB-CD2 4.27Å; L1588-F1592 HydrophobicContact CD2-CD1 4.2Å; L1588-F1592 HydrophobicContact CD2-CD2 4.01Å; L1588-F1592 HydrophobicContact CD2-CE1 4.33Å; L1588-F1592 HydrophobicContact CD2-CE2 4.18Å; L1588-F1592 HydrophobicContact CD2-CG 4.05Å; L1588-F1592 HydrophobicContact CD2-CZ 4.34Å; L1588-F1593 HydrophobicContact CB-CE2 4.37Å; L1588-F1593 HydrophobicContact CD1-CE2 4.27Å; L1588-F1593 HydrophobicContact CD1-CZ 4.12Å
1589I83.9Confident75.9Confident0 Ų036.1 Ų36.10%017%0.171CC..  trans-115.7160.1173.851.7172.3000110.1Y1488 L1539 C1542 F1543 E1591 F1592Y1488-I1589 HydrophobicContact CD1-CG2 3.95Å; Y1488-I1589 HydrophobicContact CE1-CB 4.2Å; Y1488-I1589 HydrophobicContact CE1-CG2 3.96Å; L1539-I1589 HydrophobicContact CD2-CG2 3.34Å; L1539-I1589 HydrophobicContact CG-CG2 4.39Å; C1542-I1589 HydrophobicContact CB-CD1 4.24Å; F1543-I1589 HydrophobicContact CD1-CD1 4.4Å; F1543-I1589 HydrophobicContact CD2-CD1 3.69Å; F1543-I1589 HydrophobicContact CE1-CD1 4Å; F1543-I1589 HydrophobicContact CE2-CD1 3.21Å; F1543-I1589 HydrophobicContact CE2-CG1 4.49Å; F1543-I1589 HydrophobicContact CG-CD1 4.26Å; F1543-I1589 HydrophobicContact CZ-CD1 3.4Å; I1589-E1591 HydrophobicContact CD1-CB 4.04Å; I1589-E1591 HydrophobicContact CG1-CB 4.27Å; I1589-E1591 PolarHBondContact O-N 3.32Å; I1589-E1591 VanDerWaalsContact O-N 3.08Å; I1589-F1592 HydrophobicContact CD1-CD2 4.25Å; I1589-F1592 HydrophobicContact CD1-CE2 4.14Å; I1589-F1592 HydrophobicContact CG1-CD2 3.4Å; I1589-F1592 VanDerWaalsContact CG1-CD2 3.4Å; I1589-F1592 HydrophobicContact CG1-CE2 3.64Å; I1589-F1592 PolarHBondContact O-N 3.22Å
1590P86.1Confident76.7Confident0 Ų034.2 Ų34.20%016%0.161CC..G310 helixtrans-51.2-33.6178.5-25.731.5000113.6F1468 M1472 P1489 F1491 F1592 F1593 Y1594F1468-P1590 HydrophobicContact CE2-CB 4.01Å; F1468-P1590 HydrophobicContact CZ-CB 3.92Å; M1472-P1590 HydrophobicContact CE-CG 4.37Å; M1472-P1590 HydrophobicContact SD-CB 3.93Å; M1472-P1590 HydrophobicContact SD-CG 3.54Å; M1472-P1590 VanDerWaalsContact SD-CG 3.54Å; P1489-P1590 HydrophobicContact CB-CG 3.73Å; P1489-P1590 VanDerWaalsContact O-CD 3.27Å; P1489-P1590 WeakPolarHBondContact O-CD 3.46Å; F1491-P1590 HydrophobicContact CD2-CB 4.24Å; F1491-P1590 HydrophobicContact CD2-CG 3.79Å; F1491-P1590 HydrophobicContact CE2-CB 4.02Å; F1491-P1590 HydrophobicContact CE2-CG 3.71Å; F1491-P1590 HydrophobicContact CZ-CB 4.44Å; P1590-F1592 VanDerWaalsContact C-N 3.29Å; P1590-F1592 PolarHBondContact O-N 2.57Å; P1590-F1593 WeakPolarHBondContact O-CB 3.38Å; P1590-F1593 PolarHBondContact O-N 2.83Å; P1590-Y1594 HydrophobicContact CB-CE1 3.93Å; P1590-Y1594 WeakPolarHBondContact O-CD1 3Å; P1590-Y1594 WeakPolarHBondContact O-CE1 3.44Å
1591E86.9Confident77.5Confident0 Ų025.3 Ų25.30%013%0.13CC..G310 helixtrans-62.2-30.7-176.2-70.165.6-143.900113.1Y1488 F1543 I1589 F1593 Y1594 L1595 I1598Y1488-E1591 PolarHBondContact OH-OE1 2.97Å; Y1488-E1591 PolarHBondContact OH-OE2 3.25Å; F1543-E1591 HydrophobicContact CE1-CB 4.38Å; F1543-E1591 HydrophobicContact CE1-CG 3.9Å; F1543-E1591 HydrophobicContact CZ-CB 4.29Å; F1543-E1591 HydrophobicContact CZ-CG 3.69Å; I1589-E1591 HydrophobicContact CD1-CB 4.04Å; I1589-E1591 HydrophobicContact CG1-CB 4.27Å; I1589-E1591 PolarHBondContact O-N 3.32Å; I1589-E1591 VanDerWaalsContact O-N 3.08Å; E1591-F1593 PolarHBondContact O-N 2.76Å; E1591-Y1594 HydrophobicContact CG-CE1 4.16Å; E1591-Y1594 HydrophobicContact CG-CE2 4.37Å; E1591-Y1594 PolarHBondContact O-N 3.24Å; E1591-Y1594 PolarHBondContact OE1-OH 2.95Å; E1591-L1595 HydrophobicContact CB-CB 4.12Å; E1591-L1595 HydrophobicContact CB-CD2 4.37Å; E1591-L1595 HydrophobicContact CG-CB 4.42Å; E1591-L1595 HydrophobicContact CG-CD2 4.02Å; E1591-L1595 PolarHBondContact O-N 2.65Å; E1591-I1598 HydrophobicContact CB-CD1 3.79Å; E1591-I1598 HydrophobicContact CB-CG2 4.02Å
1592F85.5Confident78.5Confident0 Ų024.8 Ų24.80%013%0.126CC..G310 helixtrans-61.7-7.6172.3-79.5-89.7000114C1542 F1568 L1588 I1589 P1590 I1598 L1599 F1631 I1632C1542-F1592 HydrophobicContact CB-CE2 4.14Å; C1542-F1592 HydrophobicContact CB-CZ 4.45Å; F1568-F1592 HydrophobicContact CD1-CZ 4.47Å; F1568-F1592 AromaticContact CE1-CE1 3.81Å; F1568-F1592 HydrophobicContact CE1-CE1 3.81Å; F1568-F1592 AromaticContact CE1-CZ 3.54Å; F1568-F1592 HydrophobicContact CE1-CZ 3.54Å; F1568-F1592 HydrophobicContact CE2-CZ 4.35Å; F1568-F1592 AromaticContact CZ-CE1 3.71Å; F1568-F1592 HydrophobicContact CZ-CE1 3.71Å; F1568-F1592 AromaticContact CZ-CZ 3.46Å; F1568-F1592 HydrophobicContact CZ-CZ 3.46Å; F1568-F1592 VanDerWaalsContact CZ-CZ 3.46Å; L1588-F1592 HydrophobicContact CB-CD2 4.27Å; L1588-F1592 HydrophobicContact CD2-CD1 4.2Å; L1588-F1592 HydrophobicContact CD2-CD2 4.01Å; L1588-F1592 HydrophobicContact CD2-CE1 4.33Å; L1588-F1592 HydrophobicContact CD2-CE2 4.18Å; L1588-F1592 HydrophobicContact CD2-CG 4.05Å; L1588-F1592 HydrophobicContact CD2-CZ 4.34Å; I1589-F1592 HydrophobicContact CD1-CD2 4.25Å; I1589-F1592 HydrophobicContact CD1-CE2 4.14Å; I1589-F1592 HydrophobicContact CG1-CD2 3.4Å; I1589-F1592 VanDerWaalsContact CG1-CD2 3.4Å; I1589-F1592 HydrophobicContact CG1-CE2 3.64Å; I1589-F1592 PolarHBondContact O-N 3.22Å; P1590-F1592 VanDerWaalsContact C-N 3.29Å; P1590-F1592 PolarHBondContact O-N 2.57Å; F1592-I1598 HydrophobicContact CD1-CD1 4.27Å; F1592-I1598 HydrophobicContact CD2-CD1 3.89Å; F1592-I1598 HydrophobicContact CE1-CD1 4.43Å; F1592-I1598 HydrophobicContact CE2-CD1 4.04Å; F1592-I1598 HydrophobicContact CG-CD1 3.98Å; F1592-I1598 HydrophobicContact CZ-CD1 4.3Å; F1592-L1599 HydrophobicContact CD1-CD2 4.27Å; F1592-L1599 HydrophobicContact CE1-CD2 3.69Å; F1592-L1599 HydrophobicContact CZ-CD2 4.39Å; F1592-F1631 HydrophobicContact CD1-CE1 4.11Å; F1592-I1632 VanDerWaalsContact C-CD1 3.49Å; F1592-I1632 WeakPolarHBondContact O-CD1 3.31Å
1593F84.8Confident79.7Confident17 Ų1722.5 Ų22.58%0.07511%0.112CC..G310 helixtrans-108.3-6.1177.7-59.7-92.5000112.6F1468 F1491 I1494 L1588 P1590 E1591 H1635 R1636F1468-F1593 HydrophobicContact CD2-CB 3.95Å; F1468-F1593 HydrophobicContact CE2-CB 4.01Å; F1491-F1593 HydrophobicContact CB-CD2 4.29Å; F1491-F1593 HydrophobicContact CB-CE2 3.56Å; F1491-F1593 HydrophobicContact CB-CZ 4.21Å; F1491-F1593 AromaticContact CD1-CD2 3.55Å; F1491-F1593 HydrophobicContact CD1-CD2 3.55Å; F1491-F1593 AromaticContact CD1-CE2 3.45Å; F1491-F1593 HydrophobicContact CD1-CE2 3.45Å; F1491-F1593 VanDerWaalsContact CD1-CE2 3.45Å; F1491-F1593 HydrophobicContact CD1-CG 4.17Å; F1491-F1593 AromaticContact CD1-CZ 3.96Å; F1491-F1593 HydrophobicContact CD1-CZ 3.96Å; F1491-F1593 HydrophobicContact CE1-CD2 4.19Å; F1491-F1593 HydrophobicContact CE1-CE2 4.47Å; F1491-F1593 HydrophobicContact CE1-CG 4.49Å; F1491-F1593 HydrophobicContact CG-CD2 4.13Å; F1491-F1593 AromaticContact CG-CE2 3.84Å; F1491-F1593 HydrophobicContact CG-CE2 3.84Å; I1494-F1593 HydrophobicContact CD1-CE1 3.61Å; I1494-F1593 HydrophobicContact CD1-CZ 4.01Å; I1494-F1593 HydrophobicContact CG1-CE1 4.16Å; I1494-F1593 HydrophobicContact CG1-CZ 4.18Å; L1588-F1593 HydrophobicContact CB-CE2 4.37Å; L1588-F1593 HydrophobicContact CD1-CE2 4.27Å; L1588-F1593 HydrophobicContact CD1-CZ 4.12Å; P1590-F1593 WeakPolarHBondContact O-CB 3.38Å; P1590-F1593 PolarHBondContact O-N 2.83Å; E1591-F1593 PolarHBondContact O-N 2.76Å; F1593-H1635 HydrophobicContact CD1-CB 3.95Å; F1593-H1635 HydrophobicContact CE1-CB 4.31Å; F1593-H1635 AromaticContact CE1-CD2 3.77Å; F1593-R1636 WeakPolarHBondContact O-CG 3.48Å; F1593-R1636 PolarHBondContact O-NE 2.88Å
1594Y86.4Confident80.7Confident7 Ų719.1 Ų19.13%0.02711%0.11CC..THydrogen-bonded Turntrans-148.2-17.1-177.173.8-99.8000118.1R1248 R1249 K1250 F1468 P1590 E1591 R1636R1248-Y1594 HydrophobicContact CB-CD1 4.12Å; R1248-Y1594 HydrophobicContact CB-CD2 4.04Å; R1248-Y1594 HydrophobicContact CB-CE1 3.89Å; R1248-Y1594 HydrophobicContact CB-CE2 3.78Å; R1248-Y1594 HydrophobicContact CB-CG 4.19Å; R1248-Y1594 HydrophobicContact CG-CD1 3.71Å; R1248-Y1594 HydrophobicContact CG-CD2 4.44Å; R1248-Y1594 HydrophobicContact CG-CE1 3.71Å; R1248-Y1594 HydrophobicContact CG-CE2 4.43Å; R1248-Y1594 HydrophobicContact CG-CG 4.09Å; R1249-Y1594 PolarHBondContact N-OH 2.9Å; R1249-Y1594 WeakPolarHBondContact O-CE2 3.3Å; K1250-Y1594 HydrophobicContact CG-CD2 3.59Å; K1250-Y1594 HydrophobicContact CG-CE2 3.95Å; F1468-Y1594 AromaticContact CE2-CD1 3.87Å; F1468-Y1594 HydrophobicContact CE2-CD1 3.87Å; F1468-Y1594 HydrophobicContact CE2-CE1 4.34Å; F1468-Y1594 AromaticContact CZ-CD1 3.76Å; F1468-Y1594 HydrophobicContact CZ-CD1 3.76Å; F1468-Y1594 AromaticContact CZ-CE1 3.93Å; F1468-Y1594 HydrophobicContact CZ-CE1 3.93Å; P1590-Y1594 HydrophobicContact CB-CE1 3.93Å; P1590-Y1594 WeakPolarHBondContact O-CD1 3Å; P1590-Y1594 WeakPolarHBondContact O-CE1 3.44Å; E1591-Y1594 HydrophobicContact CG-CE1 4.16Å; E1591-Y1594 HydrophobicContact CG-CE2 4.37Å; E1591-Y1594 PolarHBondContact O-N 3.24Å; E1591-Y1594 PolarHBondContact OE1-OH 2.95Å; Y1594-R1636 PolarHBondContact O-NH2 3.4Å
1595L88.8Confident81.8Confident2 Ų218.8 Ų18.81%0.0111%0.108CC..  trans-122.590.5-170.5-168.370.6000109.8L1239 E1591 E1597 I1598L1239-L1595 HydrophobicContact CD1-CD1 4.42Å; L1239-L1595 HydrophobicContact CD1-CD2 3.62Å; L1239-L1595 HydrophobicContact CD2-CD2 4.47Å; E1591-L1595 HydrophobicContact CB-CB 4.12Å; E1591-L1595 HydrophobicContact CB-CD2 4.37Å; E1591-L1595 HydrophobicContact CG-CB 4.42Å; E1591-L1595 HydrophobicContact CG-CD2 4.02Å; E1591-L1595 PolarHBondContact O-N 2.65Å; L1595-E1597 WeakPolarHBondContact CD1-OE2 3.29Å; L1595-E1597 WeakPolarHBondContact CG-OE2 3.24Å; L1595-E1597 PolarHBondContact O-N 3.02Å; L1595-I1598 HydrophobicContact CB-CG2 4.18Å; L1595-I1598 HydrophobicContact CD2-CG2 3.56Å; L1595-I1598 HydrophobicContact CG-CG2 3.94Å; L1595-I1598 WeakPolarHBondContact O-CG1 3.19Å; L1595-I1598 PolarHBondContact O-N 2.94Å
1596P88.3Confident82.9Confident14 Ų1421.5 Ų21.59%0.09112%0.121CC..G310 helixtrans-61.5-25.5-178.424.4-34000113.5I1598 L1599 A1628 E1629 I1632P1596-I1598 PolarHBondContact O-N 2.95Å; P1596-L1599 WeakPolarHBondContact O-CB 3.37Å; P1596-L1599 PolarHBondContact O-N 2.73Å; P1596-A1628 HydrophobicContact CB-CB 3.85Å; P1596-E1629 HydrophobicContact CB-CG 4.29Å; P1596-E1629 HydrophobicContact CG-CG 4.23Å; P1596-I1632 HydrophobicContact CB-CG1 3.81Å
1597E85.9Confident83.5Confident60 Ų6021.1 Ų21.128%0.2812%0.12SC..G310 helixtrans-64.8-21.2-175.4-57.783.5174.600113.1L1252 Q1546 L1595 L1599 L1600L1252-E1597 HydrophobicContact CD1-CB 3.92Å; L1252-E1597 HydrophobicContact CD1-CG 3.83Å; Q1546-E1597 PolarHBondContact NE2-O 2.89Å; L1595-E1597 WeakPolarHBondContact CD1-OE2 3.29Å; L1595-E1597 WeakPolarHBondContact CG-OE2 3.24Å; L1595-E1597 PolarHBondContact O-N 3.02Å; E1597-L1599 PolarHBondContact O-N 3.19Å; E1597-L1599 VanDerWaalsContact O-N 3.17Å; E1597-L1600 PolarHBondContact O-N 3.43Å; E1597-L1600 VanDerWaalsContact O-N 3.14Å
1598I85.3Confident84Confident2 Ų219.8 Ų19.81%0.0112%0.118CC..G310 helixtrans-64-18.7173.575.4-173.8000113F1543 E1591 F1592 L1595 P1596F1543-I1598 HydrophobicContact CD1-CG2 4.36Å; F1543-I1598 HydrophobicContact CE1-CG2 4.13Å; E1591-I1598 HydrophobicContact CB-CD1 3.79Å; E1591-I1598 HydrophobicContact CB-CG2 4.02Å; F1592-I1598 HydrophobicContact CD1-CD1 4.27Å; F1592-I1598 HydrophobicContact CD2-CD1 3.89Å; F1592-I1598 HydrophobicContact CE1-CD1 4.43Å; F1592-I1598 HydrophobicContact CE2-CD1 4.04Å; F1592-I1598 HydrophobicContact CG-CD1 3.98Å; F1592-I1598 HydrophobicContact CZ-CD1 4.3Å; L1595-I1598 HydrophobicContact CB-CG2 4.18Å; L1595-I1598 HydrophobicContact CD2-CG2 3.56Å; L1595-I1598 HydrophobicContact CG-CG2 3.94Å; L1595-I1598 WeakPolarHBondContact O-CG1 3.19Å; L1595-I1598 PolarHBondContact O-N 2.94Å; P1596-I1598 PolarHBondContact O-N 2.95Å
1599L87.5Confident84Confident1 Ų126.4 Ų26.41%0.00515%0.146CC..G310 helixtrans-93.3-1.4-179.2-55176.6000112.3I1571 F1592 P1596 E1597 V1619 L1621 A1628 F1631I1571-L1599 HydrophobicContact CD1-CD1 4.31Å; I1571-L1599 HydrophobicContact CD1-CD2 4.17Å; F1592-L1599 HydrophobicContact CD1-CD2 4.27Å; F1592-L1599 HydrophobicContact CE1-CD2 3.69Å; F1592-L1599 HydrophobicContact CZ-CD2 4.39Å; P1596-L1599 WeakPolarHBondContact O-CB 3.37Å; P1596-L1599 PolarHBondContact O-N 2.73Å; E1597-L1599 PolarHBondContact O-N 3.19Å; E1597-L1599 VanDerWaalsContact O-N 3.17Å; L1599-V1619 HydrophobicContact CB-CB 4.21Å; L1599-V1619 HydrophobicContact CB-CG2 4.47Å; L1599-V1619 HydrophobicContact CD2-CB 4.13Å; L1599-V1619 HydrophobicContact CD2-CG1 4.21Å; L1599-V1619 HydrophobicContact CD2-CG2 4.25Å; L1599-V1619 PolarHBondContact O-N 2.95Å; L1599-L1621 HydrophobicContact CD1-CD2 3.83Å; L1599-A1628 HydrophobicContact CB-CB 4.24Å; L1599-A1628 HydrophobicContact CD1-CB 4.19Å; L1599-F1631 HydrophobicContact CD1-CD1 3.87Å; L1599-F1631 HydrophobicContact CD1-CE1 4.44Å; L1599-F1631 HydrophobicContact CD1-CG 4.41Å
1600L87Confident83.8Confident46 Ų4627.8 Ų27.824%0.24115%0.152CC..SBendtrans-123.1133-170.9-57.7177.8000111.1Q1546 E1597 I1602 D1618 A1628Q1546-L1600 PolarHBondContact NE2-O 2.81Å; E1597-L1600 PolarHBondContact O-N 3.43Å; E1597-L1600 VanDerWaalsContact O-N 3.14Å; L1600-I1602 HydrophobicContact CB-CG2 3.71Å; L1600-I1602 PolarHBondContact O-N 3.14Å; L1600-D1618 WeakPolarHBondContact CA-OD1 3.32Å; L1600-D1618 HydrophobicContact CD2-CB 4.34Å; L1600-A1628 HydrophobicContact CD1-CB 4.48Å; L1600-A1628 HydrophobicContact CD2-CB 4.26Å; L1600-A1628 HydrophobicContact CG-CB 4.33Å
1601N85.2Confident83.3Confident24 Ų2434.2 Ų34.213%0.12819%0.186CC..  trans-83.256.6177.8-173.213.2000111.2L1545 N1603 G1604 Y1605 D1618L1545-N1601 HydrophobicContact CD2-CB 4.12Å; N1601-N1603 PolarHBondContact O-N 2.85Å; N1601-G1604 PolarHBondContact O-N 3.37Å; N1601-G1604 PolarHBondContact OD1-N 3.17Å; N1601-Y1605 PolarHBondContact ND2-N 3.43Å; N1601-Y1605 PolarHBondContact ND2-O 2.99Å; N1601-Y1605 WeakPolarHBondContact OD1-CB 3.38Å; N1601-Y1605 VanDerWaalsContact OD1-CD2 3.28Å; N1601-Y1605 WeakPolarHBondContact OD1-CD2 3.21Å; N1601-Y1605 PolarHBondContact OD1-N 2.84Å; N1601-D1618 PolarHBondContact N-OD1 3.33Å
1602I81.5Confident82.8Confident61 Ų6139.1 Ų39.131%0.31321%0.212SC..THydrogen-bonded Turntrans-62.7-26.1-170.969180000114W1237 L1252 Q1546 L1600 G1604W1237-I1602 HydrophobicContact CB-CD1 3.82Å; W1237-I1602 HydrophobicContact CG-CD1 4.12Å; L1252-I1602 HydrophobicContact CD1-CD1 3.32Å; Q1546-I1602 VanDerWaalsContact NE2-CD1 3.31Å; L1600-I1602 HydrophobicContact CB-CG2 3.71Å; L1600-I1602 PolarHBondContact O-N 3.14Å; I1602-G1604 VanDerWaalsContact C-N 3.34Å
1603N81.8Confident82.3Confident6 Ų641.4 Ų41.43%0.03224%0.236CC..THydrogen-bonded Turntrans-87.8-1.5178.7-73.9-17.6000112.7Y1236 W1237 N1601 Y1605Y1236-N1603 HydrophobicContact CD1-CB 4.17Å; W1237-N1603 PolarHBondContact N-OD1 3.2Å; W1237-N1603 PolarHBondContact O-ND2 3.03Å; N1601-N1603 PolarHBondContact O-N 2.85Å; N1603-Y1605 HydrophobicContact CB-CD1 4.38Å; N1603-Y1605 HydrophobicContact CB-CE1 3.71Å; N1603-Y1605 HydrophobicContact CB-CE2 3.96Å; N1603-Y1605 VanDerWaalsContact CB-CZ 3.49Å; N1603-Y1605 PolarHBondContact ND2-OH 3.45Å
1604G79.2Confident82Confident51 Ų5144.1 Ų44.153%0.52625%0.254SS..  trans70.737.7172.400000115N1601 I1602N1601-G1604 PolarHBondContact O-N 3.37Å; N1601-G1604 PolarHBondContact OD1-N 3.17Å; I1602-G1604 VanDerWaalsContact C-N 3.34Å
1605Y82.4Confident81.6Confident5 Ų549.6 Ų49.62%0.0228%0.282CS..  trans-66.2139.5178.9-54.8-50.7000112.3S1259 H1261 C1544 L1545 E1547 T1550 F1561 N1601 N1603 L1607S1259-Y1605 WeakPolarHBondContact O-CE1 3.02Å; H1261-Y1605 AromaticContact CD2-CE1 3.97Å; C1544-Y1605 WeakPolarHBondContact O-CE2 3.38Å; L1545-Y1605 WeakPolarHBondContact O-CE2 3.12Å; E1547-Y1605 WeakPolarHBondContact CG-OH 3.34Å; T1550-Y1605 HydrophobicContact CG2-CD1 4.34Å; T1550-Y1605 HydrophobicContact CG2-CD2 4.31Å; T1550-Y1605 HydrophobicContact CG2-CE1 3.9Å; T1550-Y1605 HydrophobicContact CG2-CE2 3.81Å; T1550-Y1605 VanDerWaalsContact OG1-CE2 3.26Å; T1550-Y1605 WeakPolarHBondContact OG1-CE2 3.46Å; T1550-Y1605 VanDerWaalsContact OG1-CZ 3.29Å; T1550-Y1605 PolarHBondContact OG1-OH 2.85Å; F1561-Y1605 HydrophobicContact CZ-CD1 4.48Å; F1561-Y1605 HydrophobicContact CZ-CG 4.2Å; N1601-Y1605 PolarHBondContact ND2-N 3.43Å; N1601-Y1605 PolarHBondContact ND2-O 2.99Å; N1601-Y1605 WeakPolarHBondContact OD1-CB 3.38Å; N1601-Y1605 VanDerWaalsContact OD1-CD2 3.28Å; N1601-Y1605 WeakPolarHBondContact OD1-CD2 3.21Å; N1601-Y1605 PolarHBondContact OD1-N 2.84Å; N1603-Y1605 HydrophobicContact CB-CD1 4.38Å; N1603-Y1605 HydrophobicContact CB-CE1 3.71Å; N1603-Y1605 HydrophobicContact CB-CE2 3.96Å; N1603-Y1605 VanDerWaalsContact CB-CZ 3.49Å; N1603-Y1605 PolarHBondContact ND2-OH 3.45Å; Y1605-L1607 PolarHBondContact O-N 3.22Å
1606N81.7Confident81Confident91 Ų9150.4 Ų50.449%0.48729%0.286SS..  trans-88.791.7171.6-178.88.9000110.4T1265 G1608T1265-N1606 WeakPolarHBondContact OG1-CB 3.46Å; T1265-N1606 PolarHBondContact OG1-ND2 3.01Å; T1265-N1606 PolarHBondContact OG1-O 3.22Å; N1606-G1608 VanDerWaalsContact C-N 3.28Å; N1606-G1608 PolarHBondContact O-N 2.81Å; N1606-G1608 PolarHBondContact OD1-N 2.94Å
1607L79.1Confident80.6Confident10 Ų1051.1 Ų51.15%0.05230%0.296CS..  trans-85.47.9-172.9-62.7170.7000114L1545 F1561 M1567 Y1605 M1616L1545-L1607 HydrophobicContact CD2-CD1 3.47Å; L1545-L1607 VanDerWaalsContact CD2-CD1 3.47Å; F1561-L1607 HydrophobicContact CD1-CD2 3.83Å; F1561-L1607 HydrophobicContact CD2-CD2 4.35Å; F1561-L1607 HydrophobicContact CE1-CD2 3.72Å; F1561-L1607 HydrophobicContact CE2-CD2 4.25Å; F1561-L1607 HydrophobicContact CG-CD2 4.16Å; F1561-L1607 HydrophobicContact CZ-CD2 3.94Å; M1567-L1607 HydrophobicContact CE-CB 3.81Å; M1567-L1607 HydrophobicContact CE-CD2 4.05Å; M1567-L1607 HydrophobicContact CE-CG 4.46Å; M1567-L1607 VanDerWaalsContact CE-O 3.25Å; M1567-L1607 WeakPolarHBondContact CE-O 3.42Å; Y1605-L1607 PolarHBondContact O-N 3.22Å; L1607-M1616 HydrophobicContact CB-CB 3.41Å; L1607-M1616 VanDerWaalsContact CB-CB 3.41Å; L1607-M1616 HydrophobicContact CB-CG 4.46Å; L1607-M1616 HydrophobicContact CD1-CB 4.45Å
1608G78.5Confident80.7Confident16 Ų1653.1 Ų53.117%0.16531%0.309CS..  trans80.7-163.8179.100000114.8N1606 M1616N1606-G1608 VanDerWaalsContact C-N 3.28Å; N1606-G1608 PolarHBondContact O-N 2.81Å; N1606-G1608 PolarHBondContact OD1-N 2.94Å; G1608-M1616 PolarHBondContact O-N 3.32Å
1609K79.1Confident80.8Confident141 Ų14153.5 Ų53.561%0.61331%0.311SS*.BIsolated β-bridgetrans-127.6143.6179.1-64.9-175-178.3-178.50110.1A1564 T1614 I1615A1564-K1609 VanDerWaalsContact CB-C 3.48Å; A1564-K1609 VanDerWaalsContact CB-O 3.27Å; A1564-K1609 WeakPolarHBondContact CB-O 3.3Å; K1609-T1614 WeakPolarHBondContact CA-O 3.38Å; K1609-I1615 HydrophobicContact CD-CG1 4.42Å; K1609-I1615 HydrophobicContact CG-CG1 4.21Å
1610R78.2Confident80.8Confident30 Ų3060.3 Ų60.311%0.11334%0.341CS..  trans-75.2164.9172-64.7-173.468.6-1776.3111.9A1564 D1565 H1569 E1573 D1612 G1613 T1614 M1616A1564-R1610 HydrophobicContact CB-CG 3.94Å; D1565-R1610 IonicContact OD1-CZ 3.82Å; D1565-R1610 IonicContact OD1-NE 3.07Å; D1565-R1610 PolarHBondContact OD1-NE 3.08Å; D1565-R1610 IonicContact OD1-NH2 2.93Å; D1565-R1610 PolarHBondContact OD1-NH2 2.93Å; D1565-R1610 WeakPolarHBondContact OD2-CA 3.42Å; D1565-R1610 WeakPolarHBondContact OD2-CB 3.33Å; H1569-R1610 PolarHBondContact CE1-NH1 2.93Å; H1569-R1610 PolarHBondContact NE2-NH1 3.5Å; H1569-R1610 VanDerWaalsContact NE2-NH1 3.15Å; E1573-R1610 IonicContact OE1-NH2 2.79Å; E1573-R1610 PolarHBondContact OE1-NH2 2.79Å; E1573-R1610 IonicContact OE2-CZ 3.43Å; E1573-R1610 IonicContact OE2-NH1 3.59Å; E1573-R1610 PolarHBondContact OE2-NH1 2.92Å; E1573-R1610 IonicContact OE2-NH2 3.4Å; R1610-D1612 WeakPolarHBondContact CB-OD1 3.18Å; R1610-D1612 PolarHBondContact O-N 2.78Å; R1610-G1613 WeakPolarHBondContact O-CA 3.3Å; R1610-G1613 PolarHBondContact O-N 3.14Å; R1610-T1614 PolarHBondContact N-O 3.43Å; R1610-M1616 HydrophobicContact CG-CG 4.28Å; R1610-M1616 HydrophobicContact CG-SD 3.87Å
1611D75.8Confident81Confident134 Ų13460.3 Ų60.372%0.71734%0.341SS*.THydrogen-bonded Turntrans-57.9-28.2174.8-65.1-25.8000113H1563 D1565 G1613H1563-D1611 IonicContact CE1-OD1 3.73Å; D1565-D1611 PolarHBondContact OD2-N 3.08Å; D1611-G1613 PolarHBondContact O-N 3.49Å
1612D75.8Confident81.3Confident104 Ų10459.4 Ų59.456%0.55634%0.336SS*.THydrogen-bonded Turntrans-79.90.5174.971.56.7000114.1R1610 T1614R1610-D1612 WeakPolarHBondContact CB-OD1 3.18Å; R1610-D1612 PolarHBondContact O-N 2.78Å; D1612-T1614 VanDerWaalsContact CG-OG1 3.24Å; D1612-T1614 WeakPolarHBondContact OD1-CB 3.38Å; D1612-T1614 PolarHBondContact OD1-N 3.15Å; D1612-T1614 PolarHBondContact OD1-OG1 2.76Å; D1612-T1614 PolarHBondContact OD2-OG1 2.99Å
1613G75.1Confident81.7Confident48 Ų4860.4 Ų60.450%0.49535%0.347SS..  trans86-5-177.600000115.1R1610 D1611 I1615R1610-G1613 WeakPolarHBondContact O-CA 3.3Å; R1610-G1613 PolarHBondContact O-N 3.14Å; D1611-G1613 PolarHBondContact O-N 3.49Å; G1613-I1615 PolarHBondContact O-N 3.37Å
1614T79.2Confident82.1Confident74 Ų7460.7 Ų60.745%0.45435%0.347SS..PPolyproline II helixtrans-63.6127.8179.8-55.10000110.8K1609 R1610 D1612K1609-T1614 WeakPolarHBondContact CA-O 3.38Å; R1610-T1614 PolarHBondContact N-O 3.43Å; D1612-T1614 VanDerWaalsContact CG-OG1 3.24Å; D1612-T1614 WeakPolarHBondContact OD1-CB 3.38Å; D1612-T1614 PolarHBondContact OD1-N 3.15Å; D1612-T1614 PolarHBondContact OD1-OG1 2.76Å; D1612-T1614 PolarHBondContact OD2-OG1 2.99Å
1615I78.3Confident82.6Confident121 Ų12158.7 Ų58.762%0.62133%0.326SS*.BIsolated β-bridgetrans-75.6128.8173.3-55.8178.9000108.7K1609 G1613K1609-I1615 HydrophobicContact CD-CG1 4.42Å; K1609-I1615 HydrophobicContact CG-CG1 4.21Å; G1613-I1615 PolarHBondContact O-N 3.37Å
1616M75.2Confident82.9Confident19 Ų1967.6 Ų67.69%0.09437%0.365CS..PPolyproline II helixtrans-76132.3178.3-70.1-71.8-69.200111.1A1564 M1567 H1569 L1607 G1608 R1610A1564-M1616 HydrophobicContact CB-CG 3.73Å; A1564-M1616 HydrophobicContact CB-SD 4.38Å; M1567-M1616 HydrophobicContact CB-CE 3.73Å; M1567-M1616 HydrophobicContact CE-CE 4.03Å; H1569-M1616 HydrophobicContact CB-CE 3.72Å; H1569-M1616 HydrophobicContact CB-SD 3.67Å; L1607-M1616 HydrophobicContact CB-CB 3.41Å; L1607-M1616 VanDerWaalsContact CB-CB 3.41Å; L1607-M1616 HydrophobicContact CB-CG 4.46Å; L1607-M1616 HydrophobicContact CD1-CB 4.45Å; G1608-M1616 PolarHBondContact O-N 3.32Å; R1610-M1616 HydrophobicContact CG-CG 4.28Å; R1610-M1616 HydrophobicContact CG-SD 3.87Å
1617G81.7Confident83.3Confident29 Ų2965.3 Ų65.330%0.29936%0.356SS..  trans-156.4-128.4-177.100000110.9
1618D86.9Confident83.8Confident102 Ų10265 Ų6555%0.54536%0.355SS..SBendtrans-59.9149.8172.6-64.4-17.1000111.9L1600 N1601 K1620L1600-D1618 WeakPolarHBondContact CA-OD1 3.32Å; L1600-D1618 HydrophobicContact CD2-CB 4.34Å; N1601-D1618 PolarHBondContact N-OD1 3.33Å; D1618-K1620 PolarHBondContact O-N 3.21Å
1619V87.6Confident84.3Confident10 Ų1069.3 Ų69.36%0.06137%0.371CS..  trans-68.7123.3179.2-1790000109.9L1545 F1568 I1571 L1599 L1621L1545-V1619 HydrophobicContact CD1-CG2 3.84Å; F1568-V1619 HydrophobicContact CD1-CG1 4.02Å; F1568-V1619 HydrophobicContact CD1-CG2 4.16Å; F1568-V1619 HydrophobicContact CE1-CG1 3.77Å; F1568-V1619 HydrophobicContact CE1-CG2 4.46Å; I1571-V1619 HydrophobicContact CG1-CG1 3.88Å; L1599-V1619 HydrophobicContact CB-CB 4.21Å; L1599-V1619 HydrophobicContact CB-CG2 4.47Å; L1599-V1619 HydrophobicContact CD2-CB 4.13Å; L1599-V1619 HydrophobicContact CD2-CG1 4.21Å; L1599-V1619 HydrophobicContact CD2-CG2 4.25Å; L1599-V1619 PolarHBondContact O-N 2.95Å; V1619-L1621 PolarHBondContact O-N 2.88Å
1620K87.7Confident84.8Confident145 Ų14565.4 Ų65.463%0.6336%0.355SS*.BIsolated β-bridgetrans-63109.7177.7-175.4177.6-176.4176.10111.1H1569 S1570 I1571 D1618H1569-K1620 WeakPolarHBondContact O-CB 3.41Å; H1569-K1620 PolarHBondContact O-N 2.8Å; S1570-K1620 WeakPolarHBondContact CA-O 3.25Å; S1570-K1620 PolarHBondContact OG-O 2.83Å; I1571-K1620 PolarHBondContact N-O 3.25Å; D1618-K1620 PolarHBondContact O-N 3.21Å
1621L91.1Very high85.4Confident45 Ų4564 Ų6424%0.23635%0.349CS..  trans-75.1156.7179.7-55.4-179.6000112.3I1571 L1599 V1619 A1625I1571-L1621 HydrophobicContact CD1-CD2 4.03Å; L1599-L1621 HydrophobicContact CD1-CD2 3.83Å; V1619-L1621 PolarHBondContact O-N 2.88Å; L1621-A1625 HydrophobicContact CB-CB 4Å; L1621-A1625 HydrophobicContact CD1-CB 4.45Å
1622P91.1Very high86Confident5 Ų557.8 Ų57.83%0.03232%0.316CS..  trans-59.5151.5169.8-24.135.6000112.3Y1498 I1571 W1624 A1625 F1631Y1498-P1622 HydrophobicContact CD1-CB 4.45Å; Y1498-P1622 HydrophobicContact CD1-CG 3.66Å; Y1498-P1622 HydrophobicContact CG-CG 4.39Å; I1571-P1622 HydrophobicContact CB-CG 4.41Å; I1571-P1622 HydrophobicContact CG2-CG 4.5Å; P1622-W1624 HydrophobicContact CB-CD2 3.99Å; P1622-W1624 HydrophobicContact CB-CG 4.23Å; P1622-W1624 HydrophobicContact CB-CZ2 3.87Å; P1622-W1624 HydrophobicContact CG-CH2 4.35Å; P1622-W1624 HydrophobicContact CG-CZ2 3.78Å; P1622-W1624 PolarHBondContact O-N 2.94Å; P1622-W1624 VanDerWaalsContact O-N 3.1Å; P1622-A1625 WeakPolarHBondContact O-CB 3.15Å; P1622-A1625 PolarHBondContact O-N 3.06Å; P1622-F1631 HydrophobicContact CG-CD2 4.14Å; P1622-F1631 HydrophobicContact CG-CE2 4.01Å
1623P89.5Confident86.4Confident82 Ų8255.1 Ų55.153%0.53231%0.306SS..THydrogen-bonded Turntrans-60.8-26-175.8-26.337000115.1Y1498 A1625Y1498-P1623 WeakPolarHBondContact O-CD 3.19Å; P1623-A1625 VanDerWaalsContact C-N 3.3Å
1624W91.4Very high86.8Confident12 Ų1253.6 Ų53.65%0.04529%0.286CS..THydrogen-bonded Turntrans-75.4-13.5173.455.5-108.4000114.3L1495 N1497 Y1498 S1500 K1501 L1503 P1622 K1626 H1630 F1631 I1634L1495-W1624 HydrophobicContact CD1-CH2 3.85Å; L1495-W1624 HydrophobicContact CD1-CZ2 3.66Å; N1497-W1624 PolarHBondContact O-NE1 3.18Å; N1497-W1624 VanDerWaalsContact O-NE1 3.12Å; Y1498-W1624 HydrophobicContact CD1-CZ2 4.22Å; S1500-W1624 VanDerWaalsContact O-CD1 3.3Å; S1500-W1624 PolarHBondContact O-N 3.18Å; K1501-W1624 VanDerWaalsContact O-CA 3.3Å; K1501-W1624 WeakPolarHBondContact O-CA 3.38Å; L1503-W1624 HydrophobicContact CB-CB 4.02Å; L1503-W1624 HydrophobicContact CB-CD2 3.91Å; L1503-W1624 HydrophobicContact CB-CE3 4.47Å; L1503-W1624 HydrophobicContact CB-CG 3.68Å; L1503-W1624 HydrophobicContact CD2-CD2 4.05Å; L1503-W1624 HydrophobicContact CD2-CE3 4.28Å; L1503-W1624 HydrophobicContact CD2-CH2 4.21Å; L1503-W1624 HydrophobicContact CD2-CZ2 3.94Å; L1503-W1624 HydrophobicContact CD2-CZ3 4.36Å; P1622-W1624 HydrophobicContact CB-CD2 3.99Å; P1622-W1624 HydrophobicContact CB-CG 4.23Å; P1622-W1624 HydrophobicContact CB-CZ2 3.87Å; P1622-W1624 HydrophobicContact CG-CH2 4.35Å; P1622-W1624 HydrophobicContact CG-CZ2 3.78Å; P1622-W1624 PolarHBondContact O-N 2.94Å; P1622-W1624 VanDerWaalsContact O-N 3.1Å; W1624-K1626 PolarHBondContact O-N 2.86Å; W1624-H1630 PolarHBondContact O-CE1 3.28Å; W1624-H1630 VanDerWaalsContact O-CE1 3.26Å; W1624-H1630 PolarHBondContact O-ND1 3.16Å; W1624-F1631 AromaticContact CH2-CD2 3.5Å; W1624-F1631 HydrophobicContact CH2-CD2 3.5Å; W1624-F1631 AromaticContact CH2-CE2 3.73Å; W1624-F1631 HydrophobicContact CH2-CE2 3.73Å; W1624-F1631 HydrophobicContact CH2-CG 4.5Å; W1624-F1631 HydrophobicContact CZ2-CD2 4.3Å; W1624-F1631 HydrophobicContact CZ2-CE2 4.23Å; W1624-F1631 AromaticContact CZ3-CD2 3.98Å; W1624-F1631 HydrophobicContact CZ3-CD2 3.98Å; W1624-I1634 HydrophobicContact CE3-CG1 4.38Å; W1624-I1634 HydrophobicContact CH2-CB 4.48Å; W1624-I1634 HydrophobicContact CH2-CG2 4.03Å; W1624-I1634 HydrophobicContact CZ3-CB 3.92Å; W1624-I1634 HydrophobicContact CZ3-CG1 3.96Å; W1624-I1634 HydrophobicContact CZ3-CG2 3.8Å
1625A90.3Very high86.8Confident10 Ų1050.4 Ų50.48%0.08327%0.266CS..  trans-95.793.2-177.500000111.8L1621 P1622 P1623 S1627 F1631L1621-A1625 HydrophobicContact CB-CB 4Å; L1621-A1625 HydrophobicContact CD1-CB 4.45Å; P1622-A1625 WeakPolarHBondContact O-CB 3.15Å; P1622-A1625 PolarHBondContact O-N 3.06Å; P1623-A1625 VanDerWaalsContact C-N 3.3Å; A1625-S1627 PolarHBondContact O-N 2.87Å; A1625-S1627 VanDerWaalsContact O-N 3.16Å; A1625-F1631 HydrophobicContact CB-CB 3.98Å; A1625-F1631 HydrophobicContact CB-CD2 4.21Å
1626K87.9Confident86.6Confident192 Ų19250.6 Ų50.684%0.83526%0.259SS*.SBendtrans-56.3-27178-61.4-178.6-179.9179.80115.3W1624 H1630W1624-K1626 PolarHBondContact O-N 2.86Å; K1626-H1630 HydrophobicContact CB-CB 4.44Å; K1626-H1630 PolarHBondContact N-ND1 3.26Å
1627S90.9Very high86.3Confident42 Ų4254.6 Ų54.629%0.29428%0.277SS..SBendtrans-160.1170.3178.278.50000110.5A1625 E1629 H1630 F1631A1625-S1627 PolarHBondContact O-N 2.87Å; A1625-S1627 VanDerWaalsContact O-N 3.16Å; S1627-E1629 VanDerWaalsContact C-N 3.31Å; S1627-E1629 WeakPolarHBondContact CB-OE2 3.46Å; S1627-E1629 PolarHBondContact O-N 3.29Å; S1627-E1629 PolarHBondContact OG-N 2.69Å; S1627-E1629 PolarHBondContact OG-OE2 3.14Å; S1627-H1630 WeakPolarHBondContact O-CB 3.46Å; S1627-H1630 PolarHBondContact O-N 3.35Å; S1627-H1630 VanDerWaalsContact O-N 3.16Å; S1627-H1630 PolarHBondContact OG-N 3.37Å; S1627-H1630 VanDerWaalsContact OG-N 3.15Å; S1627-F1631 PolarHBondContact O-N 2.92Å
1628A88.5Confident85.1Confident4 Ų454 Ų543%0.03327%0.266CS..Hα-helixtrans-61.5-40.5176.400000111.3P1596 L1599 L1600 H1630 F1631 I1632P1596-A1628 HydrophobicContact CB-CB 3.85Å; L1599-A1628 HydrophobicContact CB-CB 4.24Å; L1599-A1628 HydrophobicContact CD1-CB 4.19Å; L1600-A1628 HydrophobicContact CD1-CB 4.48Å; L1600-A1628 HydrophobicContact CD2-CB 4.26Å; L1600-A1628 HydrophobicContact CG-CB 4.33Å; A1628-H1630 VanDerWaalsContact C-N 3.32Å; A1628-H1630 PolarHBondContact O-N 2.83Å; A1628-F1631 WeakPolarHBondContact O-CB 3.4Å; A1628-F1631 PolarHBondContact O-N 3.47Å; A1628-I1632 WeakPolarHBondContact O-CG1 3.4Å; A1628-I1632 PolarHBondContact O-N 3.29Å
1629E88.9Confident83.1Confident106 Ų10655.7 Ų55.750%0.49527%0.265SS..Hα-helixtrans-63.7-37.1174.8-50.176.2-169.400111.5P1596 S1627 S1633P1596-E1629 HydrophobicContact CB-CG 4.29Å; P1596-E1629 HydrophobicContact CG-CG 4.23Å; S1627-E1629 VanDerWaalsContact C-N 3.31Å; S1627-E1629 WeakPolarHBondContact CB-OE2 3.46Å; S1627-E1629 PolarHBondContact O-N 3.29Å; S1627-E1629 PolarHBondContact OG-N 2.69Å; S1627-E1629 PolarHBondContact OG-OE2 3.14Å; E1629-S1633 WeakPolarHBondContact O-CB 3.49Å; E1629-S1633 PolarHBondContact O-N 2.85Å
1630H90.7Very high80.8Confident60 Ų6063.9 Ų63.928%0.27830%0.3SS..Hα-helixtrans-66.1-42.9174.4-171.3-121.1000111.4W1624 K1626 S1627 A1628 S1633 I1634W1624-H1630 PolarHBondContact O-CE1 3.28Å; W1624-H1630 VanDerWaalsContact O-CE1 3.26Å; W1624-H1630 PolarHBondContact O-ND1 3.16Å; K1626-H1630 HydrophobicContact CB-CB 4.44Å; K1626-H1630 PolarHBondContact N-ND1 3.26Å; S1627-H1630 WeakPolarHBondContact O-CB 3.46Å; S1627-H1630 PolarHBondContact O-N 3.35Å; S1627-H1630 VanDerWaalsContact O-N 3.16Å; S1627-H1630 PolarHBondContact OG-N 3.37Å; S1627-H1630 VanDerWaalsContact OG-N 3.15Å; A1628-H1630 VanDerWaalsContact C-N 3.32Å; A1628-H1630 PolarHBondContact O-N 2.83Å; H1630-S1633 WeakPolarHBondContact O-CB 3.38Å; H1630-S1633 PolarHBondContact O-N 3.19Å; H1630-I1634 WeakPolarHBondContact O-CG1 3.37Å; H1630-I1634 PolarHBondContact O-N 3.25Å
1631F90.2Very high78.7Confident1 Ų162.9 Ų62.90%0.00429%0.292CS..Hα-helixtrans-58-49.9174.5178.9-89000111.9I1571 F1592 L1599 P1622 W1624 A1625 S1627 A1628 S1633 I1634 H1635I1571-F1631 HydrophobicContact CD1-CD1 4.24Å; I1571-F1631 HydrophobicContact CD1-CD2 3.93Å; I1571-F1631 HydrophobicContact CD1-CE1 3.87Å; I1571-F1631 HydrophobicContact CD1-CE2 3.49Å; I1571-F1631 VanDerWaalsContact CD1-CE2 3.49Å; I1571-F1631 HydrophobicContact CD1-CG 4.28Å; I1571-F1631 HydrophobicContact CD1-CZ 3.46Å; I1571-F1631 VanDerWaalsContact CD1-CZ 3.46Å; I1571-F1631 HydrophobicContact CG2-CE2 4.02Å; I1571-F1631 HydrophobicContact CG2-CZ 4.03Å; F1592-F1631 HydrophobicContact CD1-CE1 4.11Å; L1599-F1631 HydrophobicContact CD1-CD1 3.87Å; L1599-F1631 HydrophobicContact CD1-CE1 4.44Å; L1599-F1631 HydrophobicContact CD1-CG 4.41Å; P1622-F1631 HydrophobicContact CG-CD2 4.14Å; P1622-F1631 HydrophobicContact CG-CE2 4.01Å; W1624-F1631 AromaticContact CH2-CD2 3.5Å; W1624-F1631 HydrophobicContact CH2-CD2 3.5Å; W1624-F1631 AromaticContact CH2-CE2 3.73Å; W1624-F1631 HydrophobicContact CH2-CE2 3.73Å; W1624-F1631 HydrophobicContact CH2-CG 4.5Å; W1624-F1631 HydrophobicContact CZ2-CD2 4.3Å; W1624-F1631 HydrophobicContact CZ2-CE2 4.23Å; W1624-F1631 AromaticContact CZ3-CD2 3.98Å; W1624-F1631 HydrophobicContact CZ3-CD2 3.98Å; A1625-F1631 HydrophobicContact CB-CB 3.98Å; A1625-F1631 HydrophobicContact CB-CD2 4.21Å; S1627-F1631 PolarHBondContact O-N 2.92Å; A1628-F1631 WeakPolarHBondContact O-CB 3.4Å; A1628-F1631 PolarHBondContact O-N 3.47Å; F1631-S1633 VanDerWaalsContact C-N 3.34Å; F1631-S1633 PolarHBondContact O-N 3.23Å; F1631-I1634 PolarHBondContact O-N 3.37Å; F1631-H1635 AromaticContact CD1-ND1 3.96Å; F1631-H1635 AromaticContact CE1-CE1 3.55Å; F1631-H1635 AromaticContact CE1-ND1 3.62Å; F1631-H1635 AromaticContact CE2-CE1 3.38Å; F1631-H1635 WeakPolarHBondContact CE2-CE1 3.34Å; F1631-H1635 AromaticContact CE2-ND1 3.97Å; F1631-H1635 AromaticContact CZ-CE1 3.07Å; F1631-H1635 WeakPolarHBondContact CZ-CE1 3.42Å; F1631-H1635 AromaticContact CZ-ND1 3.63Å; F1631-H1635 AromaticContact CZ-NE2 3.63Å; F1631-H1635 PolarHBondContact O-N 2.85Å; F1631-H1635 VanDerWaalsContact O-N 3.15Å; F1631-H1635 PolarHBondContact O-ND1 3.48Å
1632I88.5Confident76.2Confident3 Ų367 Ų672%0.01531%0.311CS..Hα-helixtrans-62.7-40.4176.1-64-60.8000111F1592 P1596 A1628 I1634 H1635 R1636F1592-I1632 VanDerWaalsContact C-CD1 3.49Å; F1592-I1632 WeakPolarHBondContact O-CD1 3.31Å; P1596-I1632 HydrophobicContact CB-CG1 3.81Å; A1628-I1632 WeakPolarHBondContact O-CG1 3.4Å; A1628-I1632 PolarHBondContact O-N 3.29Å; I1632-I1634 PolarHBondContact O-N 3.27Å; I1632-H1635 PolarHBondContact O-N 3.13Å; I1632-R1636 HydrophobicContact CG2-CG 4.25Å; I1632-R1636 WeakPolarHBondContact O-CG 3.43Å; I1632-R1636 PolarHBondContact O-N 3.16Å
1633S84.4Confident73.7Confident48 Ų4876.1 Ų76.134%0.33635%0.35SS..Hα-helixtrans-59.8-45.4177.4-177.40000111.9E1629 H1630 F1631 H1635 R1636 Q1637E1629-S1633 WeakPolarHBondContact O-CB 3.49Å; E1629-S1633 PolarHBondContact O-N 2.85Å; H1630-S1633 WeakPolarHBondContact O-CB 3.38Å; H1630-S1633 PolarHBondContact O-N 3.19Å; F1631-S1633 VanDerWaalsContact C-N 3.34Å; F1631-S1633 PolarHBondContact O-N 3.23Å; S1633-H1635 VanDerWaalsContact C-N 3.33Å; S1633-H1635 PolarHBondContact O-N 3.1Å; S1633-R1636 CarbonylContact O-C 3.58Å; S1633-R1636 PolarHBondContact O-N 3.12Å; S1633-R1636 VanDerWaalsContact O-N 3.14Å; S1633-Q1637 WeakPolarHBondContact O-CG 3.2Å; S1633-Q1637 PolarHBondContact O-N 3.44Å; S1633-Q1637 PolarHBondContact OG-NE2 3.32Å
1634I83.4Confident71.4Confident15 Ų1574.9 Ų74.98%0.07734%0.338CS..Hα-helixtrans-60.8-41.5175.1-69.4-64000111.6L1495 L1503 L1505 W1624 H1630 F1631 I1632 Q1637L1495-I1634 HydrophobicContact CD1-CG2 4.35Å; L1503-I1634 HydrophobicContact CD2-CG2 3.78Å; L1505-I1634 HydrophobicContact CD1-CD1 4.35Å; L1505-I1634 HydrophobicContact CD1-CG2 4.41Å; L1505-I1634 HydrophobicContact CD2-CG2 4.16Å; W1624-I1634 HydrophobicContact CE3-CG1 4.38Å; W1624-I1634 HydrophobicContact CH2-CB 4.48Å; W1624-I1634 HydrophobicContact CH2-CG2 4.03Å; W1624-I1634 HydrophobicContact CZ3-CB 3.92Å; W1624-I1634 HydrophobicContact CZ3-CG1 3.96Å; W1624-I1634 HydrophobicContact CZ3-CG2 3.8Å; H1630-I1634 WeakPolarHBondContact O-CG1 3.37Å; H1630-I1634 PolarHBondContact O-N 3.25Å; F1631-I1634 PolarHBondContact O-N 3.37Å; I1632-I1634 PolarHBondContact O-N 3.27Å; I1634-Q1637 PolarHBondContact O-N 3.18Å
1635H79.5Confident68.8Low7 Ų778.1 Ų78.13%0.03236%0.361CS..Hα-helixtrans-66.5-35174.8-76.668.9000112.4F1593 F1631 I1632 S1633F1593-H1635 HydrophobicContact CD1-CB 3.95Å; F1593-H1635 HydrophobicContact CE1-CB 4.31Å; F1593-H1635 AromaticContact CE1-CD2 3.77Å; F1631-H1635 AromaticContact CD1-ND1 3.96Å; F1631-H1635 AromaticContact CE1-CE1 3.55Å; F1631-H1635 AromaticContact CE1-ND1 3.62Å; F1631-H1635 AromaticContact CE2-CE1 3.38Å; F1631-H1635 WeakPolarHBondContact CE2-CE1 3.34Å; F1631-H1635 AromaticContact CE2-ND1 3.97Å; F1631-H1635 AromaticContact CZ-CE1 3.07Å; F1631-H1635 WeakPolarHBondContact CZ-CE1 3.42Å; F1631-H1635 AromaticContact CZ-ND1 3.63Å; F1631-H1635 AromaticContact CZ-NE2 3.63Å; F1631-H1635 PolarHBondContact O-N 2.85Å; F1631-H1635 VanDerWaalsContact O-N 3.15Å; F1631-H1635 PolarHBondContact O-ND1 3.48Å; I1632-H1635 PolarHBondContact O-N 3.13Å; S1633-H1635 VanDerWaalsContact C-N 3.33Å; S1633-H1635 PolarHBondContact O-N 3.1Å
1636R73.3Confident66.4Low126 Ų12679 Ų7948%0.47536%0.364SS..Hα-helixtrans-72.7-31.9173.5-70.9-179-170.9177.49.7113.5F1593 Y1594 I1632 S1633 Q1638 R1639F1593-R1636 WeakPolarHBondContact O-CG 3.48Å; F1593-R1636 PolarHBondContact O-NE 2.88Å; Y1594-R1636 PolarHBondContact O-NH2 3.4Å; I1632-R1636 HydrophobicContact CG2-CG 4.25Å; I1632-R1636 WeakPolarHBondContact O-CG 3.43Å; I1632-R1636 PolarHBondContact O-N 3.16Å; S1633-R1636 CarbonylContact O-C 3.58Å; S1633-R1636 PolarHBondContact O-N 3.12Å; S1633-R1636 VanDerWaalsContact O-N 3.14Å; R1636-Q1638 PolarHBondContact O-N 2.88Å; R1636-Q1638 VanDerWaalsContact O-N 3.15Å; R1636-R1639 WeakPolarHBondContact O-CB 3.43Å; R1636-R1639 PolarHBondContact O-N 3.13Å
1637Q68.8Low63.8Low102 Ų10272.4 Ų72.448%0.47734%0.336SS..Hα-helixtrans-64-18.7-179.8-77.8175.228.900112.9L1505 S1633 I1634 R1639 F1640L1505-Q1637 HydrophobicContact CD1-CB 4.28Å; S1633-Q1637 WeakPolarHBondContact O-CG 3.2Å; S1633-Q1637 PolarHBondContact O-N 3.44Å; S1633-Q1637 PolarHBondContact OG-NE2 3.32Å; I1634-Q1637 PolarHBondContact O-N 3.18Å; Q1637-R1639 PolarHBondContact O-N 3.29Å; Q1637-R1639 VanDerWaalsContact O-N 3.1Å; Q1637-F1640 PolarHBondContact O-N 3.39Å
1638Q56.6Low61Low16 Ų1677.6 Ų77.68%0.07536%0.356CS..G310 helixtrans-60.6-13.5168.4-59.8-53.9-34.900114.4R1636 F1640R1636-Q1638 PolarHBondContact O-N 2.88Å; R1636-Q1638 VanDerWaalsContact O-N 3.15Å; Q1638-F1640 PolarHBondContact O-N 2.94Å; Q1638-F1640 VanDerWaalsContact O-N 3.13Å
1639R45.2Very low58.4Low139 Ų13978.8 Ų78.853%0.52536%0.361SS..G310 helixtrans-61.8-16.9177.8-158.8177.1-164.8-148.7-2.4113.9S1466 D1469 R1636 Q1637S1466-R1639 PolarHBondContact OG-NE 2.89Å; D1469-R1639 IonicContact OD2-NH2 2.7Å; R1636-R1639 WeakPolarHBondContact O-CB 3.43Å; R1636-R1639 PolarHBondContact O-N 3.13Å; Q1637-R1639 PolarHBondContact O-N 3.29Å; Q1637-R1639 VanDerWaalsContact O-N 3.1Å
1640F39.3Very low55.7Low181 Ų18176.1 Ų76.179%0.79435%0.348SS*.G310 helixtrans-117.55.3-172-80.4-74.1000116.2Q1637 Q1638Q1637-F1640 PolarHBondContact O-N 3.39Å; Q1638-F1640 PolarHBondContact O-N 2.94Å; Q1638-F1640 VanDerWaalsContact O-N 3.13Å
1641R43.2Very low52.6Low124 Ų12479.1 Ų79.147%0.46837%0.366SS..  trans-96.8136.4-177.4-90.8-175.5156.6-117-20.2114.6L1505L1505-R1641 PolarHBondContact O-NH1 3.05Å
1642E38.6Very low49.5Very low133 Ų13388.6 Ų88.662%0.62140%0.404SS*.SBendtrans-85.2-13.9-153-71.5-158.992.900117.7R1463R1463-E1642 IonicContact CZ-OE1 3.22Å; R1463-E1642 VanDerWaalsContact CZ-OE1 3.22Å; R1463-E1642 IonicContact NH1-OE1 3.73Å; R1463-E1642 PolarHBondContact NH1-OE1 3.09Å; R1463-E1642 VanDerWaalsContact NH2-CB 3.29Å; R1463-E1642 PolarHBondContact NH2-O 2.88Å; R1463-E1642 IonicContact NH2-OE1 2.83Å; R1463-E1642 PolarHBondContact NH2-OE1 3.21Å
1643K39.1Very low46.6Very low195 Ų19592.1 Ų92.185%0.84843%0.428SS*.  trans-146.157.2-171-67.6-172178.5-179.30112.7P1645K1643-P1645 WeakPolarHBondContact O-CD 3.04Å
1644L40.4Very low44Very low56 Ų5696.1 Ų96.129%0.29346%0.456SS..  trans-76.5119.5151.1-111.586.8000106.8L1514 I1646L1514-L1644 HydrophobicContact CD1-CD2 4.22Å; L1644-I1646 HydrophobicContact CB-CD1 4.01Å; L1644-I1646 HydrophobicContact CB-CG1 4.16Å; L1644-I1646 HydrophobicContact CD2-CD1 3.78Å; L1644-I1646 HydrophobicContact CD2-CG1 4.15Å; L1644-I1646 PolarHBondContact O-N 3.42Å
1645P36.8Very low41.4Very low80 Ų8098.7 Ų98.752%0.51948%0.476SS..  trans-77.447.7-178.334.3-36.9000111.4K1643 H1647 E1648K1643-P1645 WeakPolarHBondContact O-CD 3.04Å; P1645-H1647 PolarHBondContact O-N 3.13Å; P1645-H1647 VanDerWaalsContact O-N 3.12Å; P1645-E1648 HydrophobicContact CB-CB 4.46Å; P1645-E1648 HydrophobicContact CB-CG 4.34Å; P1645-E1648 PolarHBondContact O-N 2.8Å
1646I39.6Very low38.9Very low30 Ų30100.6 Ų100.615%0.15450%0.497CS..Hα-helixtrans-61.2-17.6171.4-67161.8000110W1460 L1644 L1649 F1650W1460-I1646 HydrophobicContact CH2-CB 3.43Å; W1460-I1646 VanDerWaalsContact CH2-CB 3.43Å; W1460-I1646 HydrophobicContact CH2-CG2 3.36Å; W1460-I1646 HydrophobicContact CZ2-CB 3.69Å; W1460-I1646 HydrophobicContact CZ2-CD1 4.16Å; W1460-I1646 HydrophobicContact CZ2-CG2 3.74Å; W1460-I1646 HydrophobicContact CZ3-CG2 4.06Å; L1644-I1646 HydrophobicContact CB-CD1 4.01Å; L1644-I1646 HydrophobicContact CB-CG1 4.16Å; L1644-I1646 HydrophobicContact CD2-CD1 3.78Å; L1644-I1646 HydrophobicContact CD2-CG1 4.15Å; L1644-I1646 PolarHBondContact O-N 3.42Å; I1646-L1649 HydrophobicContact CB-CD1 4.45Å; I1646-L1649 HydrophobicContact CG1-CD1 4.42Å; I1646-L1649 WeakPolarHBondContact O-CB 3.25Å; I1646-F1650 HydrophobicContact CG2-CD2 4.02Å; I1646-F1650 HydrophobicContact CG2-CE2 3.68Å; I1646-F1650 WeakPolarHBondContact O-CD2 3.46Å
1647H32.8Very low36.7Very low53 Ų53102.6 Ų102.625%0.24551%0.511CS..Hα-helixtrans-85.6-31.2176.4-143.8-58.8000116.1W1460 Q1461 P1645 L1649 F1650 N1651W1460-H1647 AromaticContact CZ3-CD2 3.76Å; Q1461-H1647 VanDerWaalsContact CG-CD2 3.42Å; Q1461-H1647 WeakPolarHBondContact CG-CD2 3.34Å; Q1461-H1647 PolarHBondContact NE2-NE2 2.83Å; P1645-H1647 PolarHBondContact O-N 3.13Å; P1645-H1647 VanDerWaalsContact O-N 3.12Å; H1647-L1649 PolarHBondContact O-N 2.84Å; H1647-F1650 PolarHBondContact O-N 3.02Å; H1647-N1651 PolarHBondContact CE1-OD1 2.89Å; H1647-N1651 PolarHBondContact O-N 3.23Å
1648E33.1Very low34.5Very low151 Ų151108.8 Ų108.871%0.70653%0.53SS*.Hα-helixtrans-64.3-27.1172.3-66.5-172.4147.600111.3P1645P1645-E1648 HydrophobicContact CB-CB 4.46Å; P1645-E1648 HydrophobicContact CB-CG 4.34Å; P1645-E1648 PolarHBondContact O-N 2.8Å
1649L33.3Very low33.1Very low29 Ų29109.7 Ų109.715%0.15254%0.537CS..Hα-helixtrans-59.7-51.7170.3-129.9158.7000113.1I1646 H1647 I1672 F1673I1646-L1649 HydrophobicContact CB-CD1 4.45Å; I1646-L1649 HydrophobicContact CG1-CD1 4.42Å; I1646-L1649 WeakPolarHBondContact O-CB 3.25Å; H1647-L1649 PolarHBondContact O-N 2.84Å; L1649-I1672 HydrophobicContact CD2-CB 4.06Å; L1649-I1672 HydrophobicContact CD2-CG2 3.44Å; L1649-I1672 VanDerWaalsContact CD2-CG2 3.44Å; L1649-I1672 VanDerWaalsContact O-CG2 3.27Å; L1649-I1672 WeakPolarHBondContact O-CG2 3.07Å; L1649-F1673 HydrophobicContact CD1-CD1 4.48Å; L1649-F1673 HydrophobicContact CD1-CE1 3.38Å; L1649-F1673 HydrophobicContact CD1-CZ 3.46Å; L1649-F1673 VanDerWaalsContact CD1-CZ 3.46Å; L1649-F1673 HydrophobicContact CD2-CD1 3.52Å; L1649-F1673 HydrophobicContact CD2-CD2 4.17Å; L1649-F1673 HydrophobicContact CD2-CE1 3.14Å; L1649-F1673 HydrophobicContact CD2-CE2 3.83Å; L1649-F1673 HydrophobicContact CD2-CG 4.04Å; L1649-F1673 HydrophobicContact CD2-CZ 3.32Å; L1649-F1673 HydrophobicContact CG-CD1 3.83Å; L1649-F1673 HydrophobicContact CG-CE1 3.16Å; L1649-F1673 HydrophobicContact CG-CZ 3.63Å
1650F31.9Very low32.4Very low50 Ų50105.2 Ų105.222%0.21952%0.521CS..Hα-helixtrans-80.5-22.3-175.4-80.5-77.2000114.6Y1470 L1474 I1646 H1647 Y1652 I1672Y1470-F1650 HydrophobicContact CE1-CE2 4.13Å; Y1470-F1650 HydrophobicContact CE1-CZ 4.49Å; L1474-F1650 HydrophobicContact CD1-CZ 3.96Å; I1646-F1650 HydrophobicContact CG2-CD2 4.02Å; I1646-F1650 HydrophobicContact CG2-CE2 3.68Å; I1646-F1650 WeakPolarHBondContact O-CD2 3.46Å; H1647-F1650 PolarHBondContact O-N 3.02Å; F1650-Y1652 VanDerWaalsContact C-N 3.27Å; F1650-Y1652 PolarHBondContact O-N 3.47Å; F1650-I1672 HydrophobicContact CD1-CD1 4.08Å; F1650-I1672 HydrophobicContact CD1-CG1 4.24Å; F1650-I1672 HydrophobicContact CD1-CG2 3.63Å; F1650-I1672 HydrophobicContact CE1-CD1 3.33Å; F1650-I1672 HydrophobicContact CE1-CG1 3.99Å; F1650-I1672 HydrophobicContact CE1-CG2 3.93Å; F1650-I1672 HydrophobicContact CG-CG2 3.98Å; F1650-I1672 HydrophobicContact CZ-CD1 3.89Å; F1650-I1672 HydrophobicContact CZ-CG2 4.45Å
1651N26Very low32Very low123 Ų123100.5 Ų100.566%0.65851%0.507SS*.THydrogen-bonded Turntrans-79.24-172.6-93.60.1000115.8H1647H1647-N1651 PolarHBondContact CE1-OD1 2.89Å; H1647-N1651 PolarHBondContact O-N 3.23Å
1652Y26.2Very low31.5Very low200 Ų20095.6 Ų95.678%0.78450%0.495SS*.SBendtrans-111.452.5178.7-84.8-77.7000113.6F1650F1650-Y1652 VanDerWaalsContact C-N 3.27Å; F1650-Y1652 PolarHBondContact O-N 3.47Å
1653S27.1Very low31.3Very low77 Ų7795.6 Ų95.654%0.53850%0.495SS..  trans-159.199.5162.8-171.70000113.3
1654S30.1Very low30.8Very low132 Ų13287.3 Ų87.392%0.92346%0.463SS*.  trans-96.813.8170.251.80000113.3
1655S28.1Very low30.6Very low69 Ų6985.7 Ų85.748%0.48345%0.454SS..  trans-127.363.4-17453.10000112.7H1657S1655-H1657 PolarHBondContact O-N 3.06Å
1656G27.3Very low30.4Very low46 Ų4683 Ų8347%0.47444%0.438SS..  trans-66.326-174.600000118
1657H26.5Very low30.1Very low169 Ų16984.6 Ų84.678%0.78245%0.446SS*.SBendtrans-84.3-7.9-162.1-96.870.4000117.2S1655S1655-H1657 PolarHBondContact O-N 3.06Å
1658R24.3Very low30.1Very low232 Ų23283.1 Ų83.188%0.87544%0.441SS*.SBendtrans-140.62.3-168.8-74.7-165.4175.1-172.6-1.7120.3
1659V26.3Very low30.3Very low35 Ų3578.8 Ų78.821%0.21242%0.424CS..  trans-130.452.5-160-157.30000116.1A1664 L1668 L1671V1659-A1664 HydrophobicContact CG1-CB 4.08Å; V1659-L1668 HydrophobicContact CB-CD1 3.73Å; V1659-L1668 HydrophobicContact CG1-CB 4.39Å; V1659-L1668 HydrophobicContact CG1-CD1 3.48Å; V1659-L1668 VanDerWaalsContact CG1-CD1 3.48Å; V1659-L1671 HydrophobicContact CG1-CB 4.48Å; V1659-L1671 HydrophobicContact CG1-CD1 3.51Å; V1659-L1671 HydrophobicContact CG2-CD1 4.28Å
1660F30.1Very low30.3Very low45 Ų4578.6 Ų78.620%0.19742%0.423CS..  trans-141.345-179.6-70.5-101.1000114.1Y1395 P1447 R1448 F1665 L1668Y1395-F1660 PolarHBondContact OH-O 3.14Å; Y1395-F1660 VanDerWaalsContact OH-O 3.08Å; P1447-F1660 HydrophobicContact CB-CD1 4.07Å; P1447-F1660 HydrophobicContact CB-CE1 4.49Å; R1448-F1660 HydrophobicContact CB-CE1 4.48Å; R1448-F1660 HydrophobicContact CG-CB 4.04Å; R1448-F1660 HydrophobicContact CG-CD1 3.54Å; R1448-F1660 HydrophobicContact CG-CD2 3.49Å; R1448-F1660 VanDerWaalsContact CG-CD2 3.49Å; R1448-F1660 HydrophobicContact CG-CE1 3.71Å; R1448-F1660 HydrophobicContact CG-CE2 3.67Å; R1448-F1660 HydrophobicContact CG-CG 3.41Å; R1448-F1660 VanDerWaalsContact CG-CG 3.41Å; R1448-F1660 HydrophobicContact CG-CZ 3.77Å; R1448-F1660 VanDerWaalsContact NE-CG 3.31Å; F1660-F1665 HydrophobicContact CE1-CE2 4.38Å; F1660-L1668 HydrophobicContact CZ-CD2 4.34Å
1661T32.2Very low30.2Very low81 Ų8178.2 Ų78.250%0.49742%0.423SS..SBendtrans-94.2149.7154.152.20000108.5E1663 A1664 F1665T1661-E1663 VanDerWaalsContact C-N 3.32Å; T1661-E1663 PolarHBondContact O-N 3.19Å; T1661-A1664 WeakPolarHBondContact O-CA 3.43Å; T1661-A1664 WeakPolarHBondContact O-CB 3.33Å; T1661-A1664 PolarHBondContact O-N 2.77Å; T1661-A1664 WeakPolarHBondContact OG1-CB 3.37Å; T1661-F1665 PolarHBondContact O-N 2.76Å
1662G31.4Very low30.4Very low21 Ų2174.4 Ų74.422%0.21640%0.402CS..Hα-helixtrans-56.1-40.1-169.300000114.7A1664 F1665G1662-A1664 PolarHBondContact O-N 2.88Å; G1662-F1665 PolarHBondContact O-N 3.22Å
1663E34.7Very low30.5Very low134 Ų13467.1 Ų67.163%0.62638%0.375SS*.Hα-helixtrans-66.5-36.8176.3-61.2-178.816900112.2L1393 T1661 F1665 A1666L1393-E1663 HydrophobicContact CD2-CG 4.18Å; T1661-E1663 VanDerWaalsContact C-N 3.32Å; T1661-E1663 PolarHBondContact O-N 3.19Å; E1663-F1665 PolarHBondContact O-N 3.13Å; E1663-A1666 PolarHBondContact O-N 2.85Å
1664A29.3Very low30.6Very low21 Ų2168.1 Ų68.117%0.17437%0.371CS..Hα-helixtrans-69.8-9.6176.300000113.2V1659 T1661 G1662 L1667 L1668V1659-A1664 HydrophobicContact CG1-CB 4.08Å; T1661-A1664 WeakPolarHBondContact O-CA 3.43Å; T1661-A1664 WeakPolarHBondContact O-CB 3.33Å; T1661-A1664 PolarHBondContact O-N 2.77Å; T1661-A1664 WeakPolarHBondContact OG1-CB 3.37Å; G1662-A1664 PolarHBondContact O-N 2.88Å; A1664-L1667 CarbonylContact O-C 3.47Å; A1664-L1667 VanDerWaalsContact O-CA 3.3Å; A1664-L1667 WeakPolarHBondContact O-CA 3.31Å; A1664-L1667 VanDerWaalsContact O-CB 3.29Å; A1664-L1667 WeakPolarHBondContact O-CB 3.22Å; A1664-L1667 PolarHBondContact O-N 3.04Å; A1664-L1668 PolarHBondContact O-N 3.04Å
1665F35.2Very low30.6Very low22 Ų2264.9 Ų64.910%0.09635%0.345CS..Hα-helixtrans-86.5-27.8175.2-155.5-81.6000113.9A1478 F1660 T1661 G1662 E1663 L1667 L1668 V1669A1478-F1665 HydrophobicContact CB-CD1 3.68Å; A1478-F1665 HydrophobicContact CB-CD2 3.97Å; A1478-F1665 HydrophobicContact CB-CE1 3.75Å; A1478-F1665 HydrophobicContact CB-CE2 4.01Å; A1478-F1665 HydrophobicContact CB-CG 3.8Å; A1478-F1665 HydrophobicContact CB-CZ 3.92Å; F1660-F1665 HydrophobicContact CE1-CE2 4.38Å; T1661-F1665 PolarHBondContact O-N 2.76Å; G1662-F1665 PolarHBondContact O-N 3.22Å; E1663-F1665 PolarHBondContact O-N 3.13Å; F1665-L1667 PolarHBondContact O-N 3.17Å; F1665-L1668 VanDerWaalsContact C-N 3.29Å; F1665-L1668 HydrophobicContact CB-CB 4.41Å; F1665-L1668 HydrophobicContact CD2-CB 3.85Å; F1665-L1668 HydrophobicContact CD2-CD2 3.63Å; F1665-L1668 HydrophobicContact CD2-CG 4.35Å; F1665-L1668 HydrophobicContact CE2-CB 4.24Å; F1665-L1668 HydrophobicContact CE2-CD2 3.25Å; F1665-L1668 HydrophobicContact CE2-CG 4.33Å; F1665-L1668 HydrophobicContact CG-CB 4.03Å; F1665-L1668 HydrophobicContact CZ-CD2 3.9Å; F1665-L1668 WeakPolarHBondContact O-CA 3.16Å; F1665-L1668 PolarHBondContact O-N 3.13Å; F1665-V1669 HydrophobicContact CD1-CG2 4.16Å; F1665-V1669 HydrophobicContact CE1-CG2 3.88Å; F1665-V1669 PolarHBondContact O-N 3.21Å
1666A33.9Very low30.5Very low22 Ų2267.8 Ų67.818%0.18236%0.355CS..Hα-helixtrans-56.3-42.1158.200000108.8E1663 L1668 I1670E1663-A1666 PolarHBondContact O-N 2.85Å; A1666-L1668 VanDerWaalsContact C-N 3.27Å; A1666-L1668 PolarHBondContact O-N 2.92Å; A1666-I1670 WeakPolarHBondContact O-CD1 3.44Å; A1666-I1670 WeakPolarHBondContact O-CG1 3.46Å; A1666-I1670 PolarHBondContact O-N 2.88Å
1667L32Very low30.3Very low64 Ų6477.3 Ų77.334%0.33538%0.377SS..Hα-helixtrans-72.5-4.7170.2-115.3169000114.9L1519 A1664 F1665 I1670 L1671L1519-L1667 HydrophobicContact CD2-CD2 4.01Å; L1519-L1667 HydrophobicContact CD2-CG 4.45Å; A1664-L1667 CarbonylContact O-C 3.47Å; A1664-L1667 VanDerWaalsContact O-CA 3.3Å; A1664-L1667 WeakPolarHBondContact O-CA 3.31Å; A1664-L1667 VanDerWaalsContact O-CB 3.29Å; A1664-L1667 WeakPolarHBondContact O-CB 3.22Å; A1664-L1667 PolarHBondContact O-N 3.04Å; F1665-L1667 PolarHBondContact O-N 3.17Å; L1667-I1670 HydrophobicContact CD2-CB 4.35Å; L1667-I1670 HydrophobicContact CD2-CG2 4.1Å; L1667-I1670 CarbonylContact O-C 3.13Å; L1667-I1670 VanDerWaalsContact O-C 3.31Å; L1667-L1671 HydrophobicContact CB-CD1 4.41Å; L1667-L1671 HydrophobicContact CD2-CD1 4.14Å; L1667-L1671 HydrophobicContact CD2-CG 4.22Å; L1667-L1671 VanDerWaalsContact O-CA 3.31Å; L1667-L1671 WeakPolarHBondContact O-CA 3.44Å; L1667-L1671 WeakPolarHBondContact O-CB 3.32Å; L1667-L1671 WeakPolarHBondContact O-CD1 3.4Å; L1667-L1671 WeakPolarHBondContact O-CG 3.29Å; L1667-L1671 PolarHBondContact O-N 3.12Å
1668L33.2Very low30.4Very low23 Ų2377.7 Ų77.712%0.1238%0.379CS..Hα-helixtrans-102.3-35.2177.5-16294.9000113.1V1659 F1660 A1664 F1665 A1666 I1670 L1671 I1672V1659-L1668 HydrophobicContact CB-CD1 3.73Å; V1659-L1668 HydrophobicContact CG1-CB 4.39Å; V1659-L1668 HydrophobicContact CG1-CD1 3.48Å; V1659-L1668 VanDerWaalsContact CG1-CD1 3.48Å; F1660-L1668 HydrophobicContact CZ-CD2 4.34Å; A1664-L1668 PolarHBondContact O-N 3.04Å; F1665-L1668 VanDerWaalsContact C-N 3.29Å; F1665-L1668 HydrophobicContact CB-CB 4.41Å; F1665-L1668 HydrophobicContact CD2-CB 3.85Å; F1665-L1668 HydrophobicContact CD2-CD2 3.63Å; F1665-L1668 HydrophobicContact CD2-CG 4.35Å; F1665-L1668 HydrophobicContact CE2-CB 4.24Å; F1665-L1668 HydrophobicContact CE2-CD2 3.25Å; F1665-L1668 HydrophobicContact CE2-CG 4.33Å; F1665-L1668 HydrophobicContact CG-CB 4.03Å; F1665-L1668 HydrophobicContact CZ-CD2 3.9Å; F1665-L1668 WeakPolarHBondContact O-CA 3.16Å; F1665-L1668 PolarHBondContact O-N 3.13Å; A1666-L1668 VanDerWaalsContact C-N 3.27Å; A1666-L1668 PolarHBondContact O-N 2.92Å; L1668-I1670 PolarHBondContact O-N 3.3Å; L1668-L1671 HydrophobicContact CD1-CB 3.96Å; L1668-L1671 HydrophobicContact CG-CB 4.49Å; L1668-L1671 PolarHBondContact O-N 2.86Å; L1668-I1672 HydrophobicContact CD2-CD1 3.95Å; L1668-I1672 HydrophobicContact CD2-CG1 4.21Å; L1668-I1672 HydrophobicContact CG-CD1 4.07Å; L1668-I1672 HydrophobicContact CG-CG1 4.01Å; L1668-I1672 VanDerWaalsContact O-CD1 3.28Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.07Å; L1668-I1672 VanDerWaalsContact O-CG1 3.3Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.48Å; L1668-I1672 PolarHBondContact O-N 3.44Å
1669V36.3Very low30.5Very low60 Ų6072.3 Ų72.336%0.36437%0.372SS..Hα-helixtrans-55.4-21.1155.8-178.10000110F1665 F1673F1665-V1669 HydrophobicContact CD1-CG2 4.16Å; F1665-V1669 HydrophobicContact CE1-CG2 3.88Å; F1665-V1669 PolarHBondContact O-N 3.21Å; V1669-F1673 WeakPolarHBondContact O-CD2 3.46Å; V1669-F1673 WeakPolarHBondContact O-CE2 3.29Å
1670I35Very low30.4Very low24 Ų2478.4 Ų78.412%0.12340%0.403CS..THydrogen-bonded Turntrans-96.8-26.6168.9-59.5169.9000113.6R1517 L1519 A1666 L1667 L1668 F1673R1517-I1670 HydrophobicContact CB-CG2 4.32Å; R1517-I1670 HydrophobicContact CG-CG2 3.96Å; R1517-I1670 PolarHBondContact NE-O 3.33Å; R1517-I1670 VanDerWaalsContact NH2-C 3.33Å; R1517-I1670 PolarHBondContact NH2-O 3.16Å; L1519-I1670 HydrophobicContact CB-CG2 4.3Å; A1666-I1670 WeakPolarHBondContact O-CD1 3.44Å; A1666-I1670 WeakPolarHBondContact O-CG1 3.46Å; A1666-I1670 PolarHBondContact O-N 2.88Å; L1667-I1670 HydrophobicContact CD2-CB 4.35Å; L1667-I1670 HydrophobicContact CD2-CG2 4.1Å; L1667-I1670 CarbonylContact O-C 3.13Å; L1667-I1670 VanDerWaalsContact O-C 3.31Å; L1668-I1670 PolarHBondContact O-N 3.3Å; I1670-F1673 WeakPolarHBondContact O-CA 3.41Å; I1670-F1673 VanDerWaalsContact O-CB 3.3Å; I1670-F1673 WeakPolarHBondContact O-CB 3.42Å; I1670-F1673 PolarHBondContact O-N 2.86Å
1671L29.1Very low30.1Very low43 Ų4381.5 Ų81.523%0.22542%0.421CS..G310 helixtrans-92.2-14.2-177.4-86.4158.9000114.5V1659 L1667 L1668 F1673 Q1674 V1675V1659-L1671 HydrophobicContact CG1-CB 4.48Å; V1659-L1671 HydrophobicContact CG1-CD1 3.51Å; V1659-L1671 HydrophobicContact CG2-CD1 4.28Å; L1667-L1671 HydrophobicContact CB-CD1 4.41Å; L1667-L1671 HydrophobicContact CD2-CD1 4.14Å; L1667-L1671 HydrophobicContact CD2-CG 4.22Å; L1667-L1671 VanDerWaalsContact O-CA 3.31Å; L1667-L1671 WeakPolarHBondContact O-CA 3.44Å; L1667-L1671 WeakPolarHBondContact O-CB 3.32Å; L1667-L1671 WeakPolarHBondContact O-CD1 3.4Å; L1667-L1671 WeakPolarHBondContact O-CG 3.29Å; L1667-L1671 PolarHBondContact O-N 3.12Å; L1668-L1671 HydrophobicContact CD1-CB 3.96Å; L1668-L1671 HydrophobicContact CG-CB 4.49Å; L1668-L1671 PolarHBondContact O-N 2.86Å; L1671-F1673 PolarHBondContact O-N 3.46Å; L1671-F1673 VanDerWaalsContact O-N 3.12Å; L1671-Q1674 HydrophobicContact CD2-CB 4.42Å; L1671-Q1674 PolarHBondContact O-N 2.63Å; L1671-V1675 HydrophobicContact CD2-CG2 3.94Å
1672I31Very low29.7Very low42 Ų4288.4 Ų88.422%0.21544%0.438CS..G310 helixtrans-64.7-8.2156.6-57.2148.1000109.4L1649 F1650 L1668L1649-I1672 HydrophobicContact CD2-CB 4.06Å; L1649-I1672 HydrophobicContact CD2-CG2 3.44Å; L1649-I1672 VanDerWaalsContact CD2-CG2 3.44Å; L1649-I1672 VanDerWaalsContact O-CG2 3.27Å; L1649-I1672 WeakPolarHBondContact O-CG2 3.07Å; F1650-I1672 HydrophobicContact CD1-CD1 4.08Å; F1650-I1672 HydrophobicContact CD1-CG1 4.24Å; F1650-I1672 HydrophobicContact CD1-CG2 3.63Å; F1650-I1672 HydrophobicContact CE1-CD1 3.33Å; F1650-I1672 HydrophobicContact CE1-CG1 3.99Å; F1650-I1672 HydrophobicContact CE1-CG2 3.93Å; F1650-I1672 HydrophobicContact CG-CG2 3.98Å; F1650-I1672 HydrophobicContact CZ-CD1 3.89Å; F1650-I1672 HydrophobicContact CZ-CG2 4.45Å; L1668-I1672 HydrophobicContact CD2-CD1 3.95Å; L1668-I1672 HydrophobicContact CD2-CG1 4.21Å; L1668-I1672 HydrophobicContact CG-CD1 4.07Å; L1668-I1672 HydrophobicContact CG-CG1 4.01Å; L1668-I1672 VanDerWaalsContact O-CD1 3.28Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.07Å; L1668-I1672 VanDerWaalsContact O-CG1 3.3Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.48Å; L1668-I1672 PolarHBondContact O-N 3.44Å
1673F28.3Very low29.5Very low47 Ų4792.5 Ų92.521%0.20646%0.463CS..G310 helixtrans-106.812.8169.2-57.3-76.9000117.4L1514 S1515 R1517 L1649 V1669 I1670 L1671L1514-F1673 HydrophobicContact CB-CE1 4.07Å; L1514-F1673 HydrophobicContact CB-CZ 3.55Å; L1514-F1673 WeakPolarHBondContact O-CD1 3.48Å; L1514-F1673 WeakPolarHBondContact O-CE1 3.4Å; L1514-F1673 WeakPolarHBondContact O-CE2 3.39Å; L1514-F1673 WeakPolarHBondContact O-CZ 3.37Å; S1515-F1673 VanDerWaalsContact CA-CD1 3.46Å; R1517-F1673 HydrophobicContact CG-CB 3.72Å; R1517-F1673 PolarHBondContact NE-O 3.31Å; L1649-F1673 HydrophobicContact CD1-CD1 4.48Å; L1649-F1673 HydrophobicContact CD1-CE1 3.38Å; L1649-F1673 HydrophobicContact CD1-CZ 3.46Å; L1649-F1673 VanDerWaalsContact CD1-CZ 3.46Å; L1649-F1673 HydrophobicContact CD2-CD1 3.52Å; L1649-F1673 HydrophobicContact CD2-CD2 4.17Å; L1649-F1673 HydrophobicContact CD2-CE1 3.14Å; L1649-F1673 HydrophobicContact CD2-CE2 3.83Å; L1649-F1673 HydrophobicContact CD2-CG 4.04Å; L1649-F1673 HydrophobicContact CD2-CZ 3.32Å; L1649-F1673 HydrophobicContact CG-CD1 3.83Å; L1649-F1673 HydrophobicContact CG-CE1 3.16Å; L1649-F1673 HydrophobicContact CG-CZ 3.63Å; V1669-F1673 WeakPolarHBondContact O-CD2 3.46Å; V1669-F1673 WeakPolarHBondContact O-CE2 3.29Å; I1670-F1673 WeakPolarHBondContact O-CA 3.41Å; I1670-F1673 VanDerWaalsContact O-CB 3.3Å; I1670-F1673 WeakPolarHBondContact O-CB 3.42Å; I1670-F1673 PolarHBondContact O-N 2.86Å; L1671-F1673 PolarHBondContact O-N 3.46Å; L1671-F1673 VanDerWaalsContact O-N 3.12Å
1674Q28.7Very low29.1Very low99 Ų9993.6 Ų93.646%0.46347%0.466SS..  trans-153.3158.8161.1-90.2-179.8-118.100110.5R1517 L1671R1517-Q1674 VanDerWaalsContact CZ-CB 3.45Å; R1517-Q1674 VanDerWaalsContact CZ-CD 3.49Å; L1671-Q1674 HydrophobicContact CD2-CB 4.42Å; L1671-Q1674 PolarHBondContact O-N 2.63Å
1675V28.7Very low29Very low64 Ų64101.6 Ų101.639%0.38850%0.497SS..  trans96.6111.6174-178.10000110.8L1671L1671-V1675 HydrophobicContact CD2-CG2 3.94Å
1676N26.4Very low28.7Very low129 Ų129108.3 Ų108.369%0.6953%0.529SS*.  cis-154.1134.87.6-114.9-5.7000113.4
1677R24.6Very low28.6Very low246 Ų246116 Ų11693%0.92856%0.561SS**SBendtrans-90.594.8147.7-89.2-171.8173.6-170.5-0.8107.5
1678Q26.9Very low28.6Very low177 Ų177123.7 Ų123.783%0.82759%0.586SS**  trans17570.6155.7-88.3-126.7-2000110.9
1679V26.2Very low28.6Very low120 Ų120131.4 Ų131.473%0.72762%0.618SS**  trans-150.1126.3141.6-164.50000107.6I1681V1679-I1681 HydrophobicContact CB-CD1 4.47Å; V1679-I1681 HydrophobicContact CB-CG1 4.39Å; V1679-I1681 HydrophobicContact CG1-CD1 3.92Å; V1679-I1681 HydrophobicContact CG1-CG1 3.76Å; V1679-I1681 PolarHBondContact O-N 3.31Å
1680N24.4Very low28.5Very low162 Ų162139.4 Ų139.487%0.86664%0.642SS**  trans-74.499.8168.8-94.4-20.5000109.4
1681I25Very low28.9Very low110 Ų110145 Ų14556%0.56467%0.672SS**  trans-124.937.1165.3-50.6174.2000109.3V1679 S1683 F1684V1679-I1681 HydrophobicContact CB-CD1 4.47Å; V1679-I1681 HydrophobicContact CB-CG1 4.39Å; V1679-I1681 HydrophobicContact CG1-CD1 3.92Å; V1679-I1681 HydrophobicContact CG1-CG1 3.76Å; V1679-I1681 PolarHBondContact O-N 3.31Å; I1681-S1683 PolarHBondContact O-N 3.15Å; I1681-F1684 HydrophobicContact CG2-CB 3.84Å
1682W23.4Very low29.3Very low226 Ų226153 Ų15386%0.85670%0.699SS**THydrogen-bonded Turntrans-74.321.2176.6-132.473.7000113.4
1683S27.2Very low29.5Very low108 Ų108156.7 Ų156.776%0.75572%0.719SS**THydrogen-bonded Turntrans-129.4-6.1-175.557.50000115.4I1681I1681-S1683 PolarHBondContact O-N 3.15Å
1684F27.3Very low30.1Very low157 Ų157157.4 Ų157.469%0.68973%0.734SS**SBendtrans-103.4-15.5-172.8-153.3-98.5000116.5I1681I1681-F1684 HydrophobicContact CG2-CB 3.84Å
1685F25.9Very low30.7Very low188 Ų188160.4 Ų160.483%0.82574%0.742SS**SBendtrans-126.318.8-171.5-83.5-71.7000116.1
1686Q28.2Very low31.4Very low164 Ų164162.4 Ų162.477%0.76675%0.749SS**SBendtrans-85.5-13.4-177.8-146.5176.16.300115.3
1687E32.3Very low31.8Very low182 Ų182161.1 Ų161.185%0.8574%0.742SS**SBendtrans-115.4-10.8-162.3-116.6-175.4-165.600119
1688R32.2Very low32.5Very low226 Ų226155 Ų15585%0.85373%0.727SS**SBendtrans-141.396.4-178.6-66.3-171.9-178-172.80.8114.2
1689K34.5Very low33Very low185 Ų185155.4 Ų155.480%0.80472%0.721SS**SBendtrans159.21.7138.9-87.9169.8-176.8-178.70116.5D1691K1689-D1691 VanDerWaalsContact C-N 3.29Å; K1689-D1691 PolarHBondContact O-N 2.9Å
1690R34.2Very low33.5Very low229 Ų229157 Ų15786%0.86472%0.721SS**Hα-helixtrans-56-39.8179.8-92.8-174.3170.6-179.8-2.8113.6R1692R1690-R1692 PolarHBondContact O-N 3.07Å
1691D41.5Very low34.1Very low142 Ų142154.9 Ų154.976%0.75971%0.709SS**Hα-helixtrans-76.9-25-170.2-49.3-39.6000114.5K1689 Y1695K1689-D1691 VanDerWaalsContact C-N 3.29Å; K1689-D1691 PolarHBondContact O-N 2.9Å; D1691-Y1695 PolarHBondContact O-N 2.57Å
1692R38Very low34.6Very low209 Ų209155.5 Ų155.579%0.78971%0.713SS**Hα-helixtrans-79.6-26.7178-96.9-170.3178-172.20.5113.9R1690 I1696R1690-R1692 PolarHBondContact O-N 3.07Å; R1692-I1696 WeakPolarHBondContact O-CD1 3.42Å; R1692-I1696 VanDerWaalsContact O-CG1 3.32Å; R1692-I1696 WeakPolarHBondContact O-CG1 3.21Å; R1692-I1696 PolarHBondContact O-N 3.25Å
1693L35.5Very low35Very low120 Ų120149.9 Ų149.963%0.62871%0.707SS**Hα-helixtrans-77.6-38.9177-137.383.7000111.5I1696 L1697L1693-I1696 PolarHBondContact O-N 3.03Å; L1693-L1697 PolarHBondContact O-N 2.85Å; L1693-L1697 VanDerWaalsContact O-N 3.13Å
1694A41.6Very low35.2Very low62 Ų62151 Ų15151%0.51271%0.709SS.*Hα-helixtrans-59.7-46.4174.600000111.7I1696 L1697 D1698A1694-I1696 VanDerWaalsContact C-N 3.31Å; A1694-I1696 PolarHBondContact O-N 3.21Å; A1694-L1697 PolarHBondContact O-N 2.93Å; A1694-D1698 PolarHBondContact O-N 3.5Å; A1694-D1698 VanDerWaalsContact O-N 3.14Å
1695Y41.3Very low35.6Very low162 Ų162153.1 Ų153.164%0.63573%0.734SS**Hα-helixtrans-64.7-30-179.9-168.3-97.7000114.2D1691D1691-Y1695 PolarHBondContact O-N 2.57Å
1696I42Very low36Very low107 Ų107151.4 Ų151.455%0.54973%0.73SS.*Hα-helixtrans-79-38.6178.2-68.2170.3000111.2R1692 L1693 A1694R1692-I1696 WeakPolarHBondContact O-CD1 3.42Å; R1692-I1696 VanDerWaalsContact O-CG1 3.32Å; R1692-I1696 WeakPolarHBondContact O-CG1 3.21Å; R1692-I1696 PolarHBondContact O-N 3.25Å; L1693-I1696 PolarHBondContact O-N 3.03Å; A1694-I1696 VanDerWaalsContact C-N 3.31Å; A1694-I1696 PolarHBondContact O-N 3.21Å
1697L35.8Very low36.5Very low102 Ų102150.7 Ų150.753%0.53473%0.728SS.*Hα-helixtrans-67.5-39.7178.7-83.3159.5000112.5L1693 A1694 R1699 Q1700 I1701L1693-L1697 PolarHBondContact O-N 2.85Å; L1693-L1697 VanDerWaalsContact O-N 3.13Å; A1694-L1697 PolarHBondContact O-N 2.93Å; L1697-R1699 VanDerWaalsContact C-N 3.27Å; L1697-R1699 PolarHBondContact O-N 3.01Å; L1697-Q1700 PolarHBondContact O-N 3.3Å; L1697-I1701 PolarHBondContact O-N 2.67Å
1698D39.6Very low36.7Very low116 Ų116148.9 Ų148.962%0.6272%0.721SS**Hα-helixtrans-67.5-25.3-176.3-156.646.4000113.4A1694 N1702A1694-D1698 PolarHBondContact O-N 3.5Å; A1694-D1698 VanDerWaalsContact O-N 3.14Å; D1698-N1702 PolarHBondContact O-ND2 2.75Å
1699R37.2Very low37Very low186 Ų186144.4 Ų144.470%0.70271%0.713SS**Hα-helixtrans-85.7-23175.5-102.8-168.6176.6-157.1-0.7115.3L1697L1697-R1699 VanDerWaalsContact C-N 3.27Å; L1697-R1699 PolarHBondContact O-N 3.01Å
1700Q37Very low37.1Very low154 Ų154141.9 Ų141.972%0.7271%0.707SS**Hα-helixtrans-84-23.1177.9-74.6-155.9-37.100113.6L1697 N1702L1697-Q1700 PolarHBondContact O-N 3.3Å; Q1700-N1702 VanDerWaalsContact C-N 3.34Å
1701I35.8Very low37.3Very low118 Ų118136.1 Ų136.161%0.60570%0.697SS**Hα-helixtrans-73.7-26.5178.3-65.9174.3000111.9L1697 C1703L1697-I1701 PolarHBondContact O-N 2.67Å; I1701-C1703 PolarHBondContact O-N 2.91Å
1702N35.9Very low37Very low122 Ų122135.6 Ų135.665%0.65269%0.692SS**THydrogen-bonded Turntrans-90.516.5-179.7-74.2-57.8000115.2D1698 Q1700D1698-N1702 PolarHBondContact O-ND2 2.75Å; Q1700-N1702 VanDerWaalsContact C-N 3.34Å
1703C32.5Very low36.9Very low108 Ų108130 Ų13073%0.7369%0.685SS**THydrogen-bonded Turntrans-123.18.3172.7-70.10000114.1I1701I1701-C1703 PolarHBondContact O-N 2.91Å
1704V30.4Very low37Very low131 Ų131130.8 Ų130.879%0.79469%0.69SS**  trans-136.466.7171.6-166.50000109.6
1705V35.4Very low36.6Very low202 Ų202137.1 Ų137.1100%1.22471%0.706SS**  trans-11301521800000106.2

Retrieved 1,705 of 1,705 residues in 4781.2 ms (Link to these results)

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