A0A096N5S3_PAPAN Loading...

Cleavage and polyadenylation specificity factor subunit 4

Component of the cleavage and polyadenylation specificity factor (CPSF) complex that play a key role in pre-mRNA 3'-end formation, recognizing the AAUAAA signal sequence and interacting with poly(A) polymerase and other factors to bring about cleavage and poly(A) addition. CPSF4 binds RNA polymers with a preference for poly(U).

AlphaFold DB (O95639), UniProt , Accession A0A096N5S3, Species PAPAN (Papio anubis, Olive baboon), Gene CPSF4, Length 269 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.8Low87.8Confident202 Ų202118.7 Ų118.7100%0.99562%0.616SS**  0140.50-171.2166.5-122.300107A6M1-A6 HydrophobicContact CE-CB 4.04Å; M1-A6 HydrophobicContact CG-CB 3.94Å; M1-A6 HydrophobicContact SD-CB 3.49Å; M1-A6 WeakPolarHBondContact SD-CB 3.49Å
2Q84.4Confident88.3Confident127 Ų127117.4 Ų117.459%0.59360%0.602SS**  trans-92.8146.6179.4-68171.6-15.300109.9I4 I5 A6Q2-I4 PolarHBondContact O-N 3.2Å; Q2-I5 HydrophobicContact CB-CD1 4.04Å; Q2-I5 HydrophobicContact CB-CG1 4.16Å; Q2-I5 HydrophobicContact CG-CD1 4.42Å; Q2-I5 WeakPolarHBondContact O-CB 3.39Å; Q2-I5 PolarHBondContact O-N 3.4Å; Q2-A6 PolarHBondContact O-N 3.31Å
3E88.3Confident88.8Confident168 Ų168116.1 Ų116.179%0.78559%0.589SS**THydrogen-bonded Turntrans-55.2-34.5175.8-66.8158-173.600112I5 A6 S7E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å; E3-A6 CarbonylContact O-C 3.57Å; E3-A6 PolarHBondContact O-N 3.44Å; E3-S7 WeakPolarHBondContact O-CA 3.49Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.22Å
4I87.2Confident89.3Confident158 Ų158117.9 Ų117.981%0.8160%0.601SS**THydrogen-bonded Turntrans-62.7-30.4175.6-55173.2000112.4Q2Q2-I4 PolarHBondContact O-N 3.2Å
5I88.6Confident89.6Confident117 Ų117118.7 Ų118.760%0.661%0.606SS**THydrogen-bonded Turntrans-88.9-29.6-176.6-59.6172.2000111.1Q2 E3Q2-I5 HydrophobicContact CB-CD1 4.04Å; Q2-I5 HydrophobicContact CB-CG1 4.16Å; Q2-I5 HydrophobicContact CG-CD1 4.42Å; Q2-I5 WeakPolarHBondContact O-CB 3.39Å; Q2-I5 PolarHBondContact O-N 3.4Å; E3-I5 VanDerWaalsContact C-N 3.26Å; E3-I5 PolarHBondContact O-N 2.92Å
6A88Confident89.9Confident41 Ų41116.2 Ų116.234%0.33959%0.592SS.*SBendtrans-150.765.2-175.900000111.4M1 Q2 E3 V8M1-A6 HydrophobicContact CE-CB 4.04Å; M1-A6 HydrophobicContact CG-CB 3.94Å; M1-A6 HydrophobicContact SD-CB 3.49Å; M1-A6 WeakPolarHBondContact SD-CB 3.49Å; Q2-A6 PolarHBondContact O-N 3.31Å; E3-A6 CarbonylContact O-C 3.57Å; E3-A6 PolarHBondContact O-N 3.44Å; A6-V8 PolarHBondContact O-N 2.56Å
7S90Very high90.1Very high55 Ų55112.4 Ų112.439%0.38557%0.572SS.*  trans-64.5127.7168.5158.90000108.7E3 D9 H10E3-S7 WeakPolarHBondContact O-CA 3.49Å; E3-S7 WeakPolarHBondContact O-CB 3.38Å; E3-S7 PolarHBondContact O-N 3.22Å; S7-D9 WeakPolarHBondContact CB-OD2 3.48Å; S7-D9 PolarHBondContact OG-OD2 2.89Å; S7-H10 PolarHBondContact O-CE1 2.86Å; S7-H10 PolarHBondContact O-ND1 3.07Å
8V91.6Very high90.3Very high70 Ų70108 Ų10842%0.42456%0.556SS.*  trans-109.95.6177.7-63.80000112.1A6 H10 I11 F13A6-V8 PolarHBondContact O-N 2.56Å; V8-H10 PolarHBondContact O-N 3.15Å; V8-I11 HydrophobicContact CB-CD1 4.45Å; V8-I11 HydrophobicContact CG1-CD1 4.41Å; V8-I11 WeakPolarHBondContact O-CA 3.49Å; V8-I11 WeakPolarHBondContact O-CB 3.38Å; V8-I11 PolarHBondContact O-N 3.39Å; V8-F13 HydrophobicContact CB-CE2 4.01Å; V8-F13 HydrophobicContact CB-CZ 3.94Å; V8-F13 HydrophobicContact CG1-CZ 4.27Å; V8-F13 HydrophobicContact CG2-CE2 4.07Å; V8-F13 HydrophobicContact CG2-CZ 4.29Å
9D92.2Very high90.4Very high142 Ų142107.5 Ų107.576%0.75956%0.558SS**THydrogen-bonded Turntrans-65.9-14.6-173.5-44.7-82.4000113.5S7S7-D9 WeakPolarHBondContact CB-OD2 3.48Å; S7-D9 PolarHBondContact OG-OD2 2.89Å
10H91.7Very high90.4Very high150 Ų150106 Ų10669%0.69455%0.548SS*.THydrogen-bonded Turntrans-92.60.3173.767.3-84.6000113.4S7 V8S7-H10 PolarHBondContact O-CE1 2.86Å; S7-H10 PolarHBondContact O-ND1 3.07Å; V8-H10 PolarHBondContact O-N 3.15Å
11I93.8Very high90.4Very high76 Ų76106 Ų10639%0.3955%0.546SS..  trans-115.1101.1-176.5-50.9178.1000108.6V8 F13V8-I11 HydrophobicContact CB-CD1 4.45Å; V8-I11 HydrophobicContact CG1-CD1 4.41Å; V8-I11 WeakPolarHBondContact O-CA 3.49Å; V8-I11 WeakPolarHBondContact O-CB 3.38Å; V8-I11 PolarHBondContact O-N 3.39Å; I11-F13 HydrophobicContact CB-CE2 4.33Å; I11-F13 HydrophobicContact CB-CZ 4.34Å; I11-F13 HydrophobicContact CG2-CD1 4.47Å; I11-F13 HydrophobicContact CG2-CE1 4.2Å; I11-F13 HydrophobicContact CG2-CE2 4.39Å; I11-F13 HydrophobicContact CG2-CZ 4.16Å; I11-F13 WeakPolarHBondContact O-CD2 3.24Å; I11-F13 WeakPolarHBondContact O-CE2 3.25Å; I11-F13 PolarHBondContact O-N 3.14Å
12K93.9Very high91.4Very high103 Ų10397 Ų9745%0.44850%0.501SS..  trans-73.7115170.2-170.6169.1-174.784.10109E16 I17 E20K12-E16 HydrophobicContact CG-CB 4.49Å; K12-E16 IonicContact NZ-OE1 2.7Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; K12-I17 HydrophobicContact CD-CD1 4.49Å; K12-I17 HydrophobicContact CD-CG1 4.04Å; K12-I17 HydrophobicContact CG-CD1 4.39Å; K12-I17 HydrophobicContact CG-CG1 4.03Å; K12-E20 WeakPolarHBondContact CE-OE2 3.47Å; K12-E20 IonicContact NZ-OE1 2.67Å; K12-E20 PolarHBondContact NZ-OE1 3.24Å; K12-E20 IonicContact NZ-OE2 2.64Å; K12-E20 PolarHBondContact NZ-OE2 2.93Å
13F95.5Very high91.7Very high100 Ų10096 Ų9644%0.43950%0.5SS..  trans-82.4150.1-176.4-67.9-87.8000112V8 I11 L15 E16 I17V8-F13 HydrophobicContact CB-CE2 4.01Å; V8-F13 HydrophobicContact CB-CZ 3.94Å; V8-F13 HydrophobicContact CG1-CZ 4.27Å; V8-F13 HydrophobicContact CG2-CE2 4.07Å; V8-F13 HydrophobicContact CG2-CZ 4.29Å; I11-F13 HydrophobicContact CB-CE2 4.33Å; I11-F13 HydrophobicContact CB-CZ 4.34Å; I11-F13 HydrophobicContact CG2-CD1 4.47Å; I11-F13 HydrophobicContact CG2-CE1 4.2Å; I11-F13 HydrophobicContact CG2-CE2 4.39Å; I11-F13 HydrophobicContact CG2-CZ 4.16Å; I11-F13 WeakPolarHBondContact O-CD2 3.24Å; I11-F13 WeakPolarHBondContact O-CE2 3.25Å; I11-F13 PolarHBondContact O-N 3.14Å; F13-L15 PolarHBondContact O-N 3.06Å; F13-L15 VanDerWaalsContact O-N 3.14Å; F13-E16 VanDerWaalsContact O-CB 3.24Å; F13-E16 WeakPolarHBondContact O-CB 3.41Å; F13-E16 PolarHBondContact O-N 2.93Å; F13-I17 PolarHBondContact O-N 2.89Å
14D95.2Very high91.7Very high141 Ų14191.5 Ų91.575%0.75450%0.498SS*.Hα-helixtrans-55.6-33.1174.1-63.2-47.1000112.6E16 I17 A18D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 3.48Å; D14-I17 PolarHBondContact O-N 3.5Å; D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.22Å; D14-A18 PolarHBondContact O-N 3.32Å
15L93.8Very high91.8Very high130 Ų13085.2 Ų85.268%0.68147%0.47SS*.Hα-helixtrans-62-39.8174.9178.862.4000112.4F13 A18 V19F13-L15 PolarHBondContact O-N 3.06Å; F13-L15 VanDerWaalsContact O-N 3.14Å; L15-A18 PolarHBondContact O-N 2.64Å; L15-V19 HydrophobicContact CD1-CG2 4.15Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 2.92Å
16E94.3Very high91.8Very high79 Ų7986.7 Ų86.737%0.36947%0.474SS..Hα-helixtrans-65.4-50179.1-166.8-171.5138.800109.8K12 F13 D14 A18 V19 E20K12-E16 HydrophobicContact CG-CB 4.49Å; K12-E16 IonicContact NZ-OE1 2.7Å; K12-E16 PolarHBondContact NZ-OE1 3.41Å; F13-E16 VanDerWaalsContact O-CB 3.24Å; F13-E16 WeakPolarHBondContact O-CB 3.41Å; F13-E16 PolarHBondContact O-N 2.93Å; D14-E16 VanDerWaalsContact C-N 3.34Å; D14-E16 PolarHBondContact O-N 3.48Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 2.86Å; E16-V19 PolarHBondContact O-N 3.06Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.2Å; E16-E20 PolarHBondContact O-N 2.93Å
17I93.4Very high91.9Very high52 Ų5288.2 Ų88.227%0.26748%0.48SS..Hα-helixtrans-56.9-46.3175.3-59.4171.1000110.6K12 F13 D14 V19 Q21K12-I17 HydrophobicContact CD-CD1 4.49Å; K12-I17 HydrophobicContact CD-CG1 4.04Å; K12-I17 HydrophobicContact CG-CD1 4.39Å; K12-I17 HydrophobicContact CG-CG1 4.03Å; F13-I17 PolarHBondContact O-N 2.89Å; D14-I17 PolarHBondContact O-N 3.5Å; I17-V19 PolarHBondContact O-N 3.24Å; I17-Q21 VanDerWaalsContact O-CB 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.36Å; I17-Q21 PolarHBondContact O-N 3.34Å
18A93.6Very high91.9Very high33 Ų3386.8 Ų86.827%0.27347%0.468SS..Hα-helixtrans-66.9-34.4-178.700000113.2D14 L15 E16 Q22 L23D14-A18 VanDerWaalsContact O-CB 3.25Å; D14-A18 WeakPolarHBondContact O-CB 3.22Å; D14-A18 PolarHBondContact O-N 3.32Å; L15-A18 PolarHBondContact O-N 2.64Å; E16-A18 VanDerWaalsContact C-N 3.32Å; E16-A18 PolarHBondContact O-N 2.86Å; A18-Q22 CarbonylContact O-C 3.42Å; A18-Q22 WeakPolarHBondContact O-CA 3.24Å; A18-Q22 PolarHBondContact O-N 2.97Å; A18-L23 HydrophobicContact CB-CB 4.34Å; A18-L23 HydrophobicContact CB-CD1 4.34Å; A18-L23 PolarHBondContact O-N 3.06Å
19V92Very high91.7Very high98 Ų9887.5 Ų87.559%0.59447%0.474SS*.Hα-helixtrans-73.9-49.3176.5168.80000111.2L15 E16 I17 Q21 Q22L15-V19 HydrophobicContact CD1-CG2 4.15Å; L15-V19 WeakPolarHBondContact O-CB 3.38Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.41Å; L15-V19 PolarHBondContact O-N 2.92Å; E16-V19 PolarHBondContact O-N 3.06Å; I17-V19 PolarHBondContact O-N 3.24Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; V19-Q21 PolarHBondContact O-N 2.97Å; V19-Q22 PolarHBondContact O-N 3.48Å; V19-Q22 VanDerWaalsContact O-N 3.12Å
20E91.2Very high91.4Very high78 Ų7887.2 Ų87.236%0.36447%0.467SS..Hα-helixtrans-55.9-46.5176.5-72.9174.4150.900111.7K12 E16 Q22K12-E20 WeakPolarHBondContact CE-OE2 3.47Å; K12-E20 IonicContact NZ-OE1 2.67Å; K12-E20 PolarHBondContact NZ-OE1 3.24Å; K12-E20 IonicContact NZ-OE2 2.64Å; K12-E20 PolarHBondContact NZ-OE2 2.93Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.2Å; E16-E20 PolarHBondContact O-N 2.93Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.39Å
21Q91Very high91.1Very high107 Ų10785.1 Ų85.150%0.547%0.466SS..THydrogen-bonded Turntrans-84-3.8-179-61.4-178.813.700113.4I17 V19 L23I17-Q21 VanDerWaalsContact O-CB 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.31Å; I17-Q21 WeakPolarHBondContact O-CG 3.36Å; I17-Q21 PolarHBondContact O-N 3.34Å; V19-Q21 VanDerWaalsContact C-N 3.33Å; V19-Q21 PolarHBondContact O-N 2.97Å; Q21-L23 VanDerWaalsContact C-N 3.28Å; Q21-L23 HydrophobicContact CB-CD2 3.86Å; Q21-L23 HydrophobicContact CB-CG 3.9Å; Q21-L23 PolarHBondContact O-N 3.45Å
22Q90.2Very high90.5Very high13 Ų1385.3 Ų85.36%0.06149%0.487CS..THydrogen-bonded Turntrans5340.4-177-56.2-178.40.900114A18 V19 E20 A25 F43 F57A18-Q22 CarbonylContact O-C 3.42Å; A18-Q22 WeakPolarHBondContact O-CA 3.24Å; A18-Q22 PolarHBondContact O-N 2.97Å; V19-Q22 PolarHBondContact O-N 3.48Å; V19-Q22 VanDerWaalsContact O-N 3.12Å; E20-Q22 VanDerWaalsContact C-N 3.31Å; E20-Q22 PolarHBondContact O-N 3.39Å; Q22-A25 HydrophobicContact CB-CB 4.4Å; Q22-A25 WeakPolarHBondContact O-CB 3.33Å; Q22-A25 PolarHBondContact O-N 3Å; Q22-F43 HydrophobicContact CB-CE2 4.05Å; Q22-F43 HydrophobicContact CG-CD2 4.17Å; Q22-F43 HydrophobicContact CG-CE2 3.8Å; Q22-F57 HydrophobicContact CB-CE2 3.65Å; Q22-F57 HydrophobicContact CB-CZ 3.93Å; Q22-F57 HydrophobicContact CG-CD2 4.14Å; Q22-F57 HydrophobicContact CG-CE1 4.46Å; Q22-F57 HydrophobicContact CG-CE2 3.58Å; Q22-F57 HydrophobicContact CG-CZ 3.76Å
23L90.4Very high90Very high106 Ų10682.1 Ų82.156%0.55547%0.474SS*.THydrogen-bonded Turntrans-63.8145.4-179.1-57.4-176.5000111A18 Q21 A25A18-L23 HydrophobicContact CB-CB 4.34Å; A18-L23 HydrophobicContact CB-CD1 4.34Å; A18-L23 PolarHBondContact O-N 3.06Å; Q21-L23 VanDerWaalsContact C-N 3.28Å; Q21-L23 HydrophobicContact CB-CD2 3.86Å; Q21-L23 HydrophobicContact CB-CG 3.9Å; Q21-L23 PolarHBondContact O-N 3.45Å; L23-A25 PolarHBondContact O-N 2.67Å
24G87.8Confident89.2Confident73 Ų7379.5 Ų79.575%0.75346%0.464SS*.THydrogen-bonded Turntrans68.9-8.9-177.800000116.1Q26G24-Q26 PolarHBondContact O-N 2.88Å
25A89.2Confident88.7Confident26 Ų2673.8 Ų73.822%0.21543%0.433CS..  trans-75.388.4-17400000113.1Q22 L23 K51 P56 F57Q22-A25 HydrophobicContact CB-CB 4.4Å; Q22-A25 WeakPolarHBondContact O-CB 3.33Å; Q22-A25 PolarHBondContact O-N 3Å; L23-A25 PolarHBondContact O-N 2.67Å; A25-K51 PolarHBondContact O-NZ 2.77Å; A25-P56 HydrophobicContact CB-CG 4.16Å; A25-F57 HydrophobicContact CB-CE2 3.48Å; A25-F57 VanDerWaalsContact CB-CE2 3.48Å; A25-F57 HydrophobicContact CB-CZ 3.76Å
26Q89.5Confident88.2Confident147 Ų14769 Ų6969%0.68741%0.41SS*.PPolyproline II helixtrans-59.6154.3177.5-64.5-63.7-9.300113.4G24 P56G24-Q26 PolarHBondContact O-N 2.88Å; Q26-P56 WeakPolarHBondContact O-CG 3.37Å
27P89.9Confident87.6Confident73 Ų7367.8 Ų67.847%0.47442%0.419SS..PPolyproline II helixtrans-59.6153.4170-20.433000112.3M54P27-M54 HydrophobicContact CB-CB 4.5Å
28L89.2Confident87.4Confident25 Ų2566.6 Ų66.613%0.13142%0.417CS..PPolyproline II helixtrans-65.3140.3175.2-67.7-175.5000112F30 M33 K35 M54 P56L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 3.29Å; L28-M33 HydrophobicContact CD1-CB 4.24Å; L28-M33 HydrophobicContact CD2-CE 3.83Å; L28-K35 HydrophobicContact CD1-CD 3.65Å; L28-K35 HydrophobicContact CD1-CG 4.05Å; L28-M54 PolarHBondContact N-O 3.21Å; L28-M54 WeakPolarHBondContact O-CE 3.33Å; L28-P56 HydrophobicContact CD2-CB 3.91Å; L28-P56 HydrophobicContact CG-CB 4.36Å
29P88.5Confident87.2Confident85 Ų8568 Ų6855%0.55243%0.428SS*.SBendtrans-68.8-22.6-178.127.5-35.6000113.7M33P29-M33 HydrophobicContact CG-CE 4.27Å
30F85.9Confident87.2Confident137 Ų13766.7 Ų66.760%0.60142%0.421SS*.SBendtrans-138.4135.6-178.6-55.8-66.9000111.5L28L28-F30 VanDerWaalsContact C-N 3.26Å; L28-F30 PolarHBondContact O-N 3.29Å
31P85.7Confident87.3Confident106 Ų10663 Ų6369%0.68840%0.404SS*.THydrogen-bonded Turntrans-59.6146171.1-2434.5000112.6M33P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 3.25Å
32G81Confident87.4Confident79 Ų7962 Ų6281%0.81440%0.399SS*.THydrogen-bonded Turntrans76.411.6173.700000115.9
33M82.8Confident87.5Confident37 Ų3764.8 Ų64.818%0.18241%0.411CS..  trans-66.1141.2171.8-167.5151.570.200111.2L28 P29 P31 K35 F265L28-M33 HydrophobicContact CD1-CB 4.24Å; L28-M33 HydrophobicContact CD2-CE 3.83Å; P29-M33 HydrophobicContact CG-CE 4.27Å; P31-M33 VanDerWaalsContact C-N 3.34Å; P31-M33 PolarHBondContact O-N 3.25Å; M33-K35 PolarHBondContact O-N 3.47Å; M33-F265 HydrophobicContact CE-CE2 4.4Å; M33-F265 HydrophobicContact CE-CZ 4.09Å; M33-F265 HydrophobicContact SD-CZ 3.94Å
34D78.1Confident87.7Confident44 Ų4463.2 Ų63.224%0.23540%0.4CS..  trans-68.5126.1178.8174.129.3000110.7S36 K247D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 3.39Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; D34-K247 IonicContact OD2-NZ 2.77Å
35K86.4Confident87.8Confident21 Ų2166.6 Ų66.69%0.09140%0.4CS..  trans-107.317.7-179.8-52.1-159.7-60.2-74.90112.7L28 M33 G37 A38 C55 F57 R58 D80L28-K35 HydrophobicContact CD1-CD 3.65Å; L28-K35 HydrophobicContact CD1-CG 4.05Å; M33-K35 PolarHBondContact O-N 3.47Å; K35-G37 PolarHBondContact O-N 3.4Å; K35-A38 HydrophobicContact CB-CB 4.37Å; K35-A38 PolarHBondContact O-N 3.01Å; K35-C55 WeakPolarHBondContact CD-O 3.35Å; K35-C55 WeakPolarHBondContact CE-O 3.47Å; K35-F57 WeakPolarHBondContact CE-O 3.38Å; K35-R58 HydrophobicContact CB-CG 4.19Å; K35-R58 VanDerWaalsContact O-CD 3.24Å; K35-R58 WeakPolarHBondContact O-CD 3.2Å; K35-R58 WeakPolarHBondContact O-CG 3.29Å; K35-R58 PolarHBondContact O-NH1 3.01Å; K35-D80 WeakPolarHBondContact CE-OD2 3.48Å; K35-D80 IonicContact NZ-OD2 3.57Å; K35-D80 PolarHBondContact NZ-OD2 3.3Å
36S81.5Confident88Confident29 Ų2971.7 Ų71.720%0.20342%0.417CS..THydrogen-bonded Turntrans-62.1-13.3-171.4-66.40000115.7D34 H86D34-S36 WeakPolarHBondContact OD1-CB 3.18Å; D34-S36 PolarHBondContact OD1-N 3.39Å; D34-S36 PolarHBondContact OD1-OG 3.34Å; S36-H86 PolarHBondContact OG-ND1 2.87Å
37G82.3Confident88.1Confident55 Ų5569.3 Ų69.357%0.56742%0.423SS*.THydrogen-bonded Turntrans-109.45.3172.700000115.3K35 H262K35-G37 PolarHBondContact O-N 3.4Å; G37-H262 WeakPolarHBondContact CA-NE2 3.47Å; G37-H262 PolarHBondContact N-NE2 3.03Å
38A89.1Confident88.3Confident26 Ų2669.2 Ų69.222%0.21543%0.428CS..SBendtrans-87.1155.9175.900000111.8K35 P56 R58K35-A38 HydrophobicContact CB-CB 4.37Å; K35-A38 PolarHBondContact O-N 3.01Å; A38-P56 WeakPolarHBondContact CB-O 3.49Å; A38-R58 HydrophobicContact CB-CG 4.29Å; A38-R58 WeakPolarHBondContact O-CD 3.35Å; A38-R58 VanDerWaalsContact O-CG 3.27Å; A38-R58 WeakPolarHBondContact O-CG 3.36Å
39A90.6Very high88.4Confident62 Ų6269.1 Ų69.151%0.51243%0.429SS..PPolyproline II helixtrans-64.6162172.700000112F57 R58A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.38Å; A39-F57 CarbonylContact O-C 3.53Å; A39-F57 WeakPolarHBondContact O-CA 3.28Å; A39-F57 WeakPolarHBondContact O-CB 3.49Å; A39-R58 PolarHBondContact O-N 3.47Å
40V91.2Very high88.5Confident72 Ų7269 Ų6944%0.43644%0.444SS..BIsolated β-bridgetrans-73.7137.9176.9-177.10000110.1E42 I60V40-E42 PolarHBondContact O-N 2.92Å; V40-E42 VanDerWaalsContact O-N 3.12Å; V40-I60 HydrophobicContact CB-CD1 4.45Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.09Å; V40-I60 HydrophobicContact CG2-CD1 3.65Å; V40-I60 HydrophobicContact CG2-CG1 4.4Å
41C93.2Very high88.6Confident1 Ų166 Ų661%0.00743%0.43CS..  trans-76.799.4178.4-169.90000110.8F43 F44 L45 C49 F57 R58 H59C41-F43 VanDerWaalsContact C-N 3.27Å; C41-F43 PolarHBondContact O-N 2.82Å; C41-F44 HydrophobicContact CB-CB 3.71Å; C41-F44 WeakPolarHBondContact O-CB 3.43Å; C41-F44 PolarHBondContact O-N 3.34Å; C41-F44 PolarHBondContact SG-N 3.12Å; C41-F44 VanDerWaalsContact SG-N 3.44Å; C41-L45 PolarHBondContact O-N 2.85Å; C41-L45 VanDerWaalsContact O-N 3.13Å; C41-C49 VanDerWaalsContact SG-SG 3.64Å; C41-F57 HydrophobicContact CB-CB 3.63Å; C41-R58 PolarHBondContact N-O 3.39Å; C41-H59 VanDerWaalsContact CB-CD2 3.47Å; C41-H59 WeakPolarHBondContact CB-CD2 3.2Å
42E92.5Very high88.7Confident84 Ų8462.6 Ų62.639%0.39342%0.415SS..Hα-helixtrans-55.8-40.9173.1-76-165.7-137.400112.9V40 F44 L45 K46V40-E42 PolarHBondContact O-N 2.92Å; V40-E42 VanDerWaalsContact O-N 3.12Å; E42-F44 PolarHBondContact O-N 3.4Å; E42-L45 PolarHBondContact O-N 3.13Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.5Å; E42-K46 IonicContact OE2-NZ 2.88Å; E42-K46 PolarHBondContact OE2-NZ 2.97Å
43F93.4Very high88.9Confident73 Ų7362 Ų6232%0.3241%0.409SS..Hα-helixtrans-62.9-26.6175.8-60.8-60.3000112.4Q22 C41 K46 A47 A48 C49Q22-F43 HydrophobicContact CB-CE2 4.05Å; Q22-F43 HydrophobicContact CG-CD2 4.17Å; Q22-F43 HydrophobicContact CG-CE2 3.8Å; C41-F43 VanDerWaalsContact C-N 3.27Å; C41-F43 PolarHBondContact O-N 2.82Å; F43-K46 CarbonylContact O-C 3.58Å; F43-A47 CarbonylContact O-C 3.54Å; F43-A47 PolarHBondContact O-N 3.15Å; F43-A48 CarbonylContact O-C 3.55Å; F43-A48 WeakPolarHBondContact O-CA 3.17Å; F43-A48 PolarHBondContact O-N 3.42Å; F43-C49 HydrophobicContact CB-CB 3.89Å; F43-C49 PolarHBondContact O-N 2.97Å
44F93.4Very high89.2Confident73 Ų7364.3 Ų64.332%0.3242%0.42SS..Hα-helixtrans-75.3-42.1174.3-175.8-101.1000111.1C41 E42 K46 A47 C49 H59 S61C41-F44 HydrophobicContact CB-CB 3.71Å; C41-F44 WeakPolarHBondContact O-CB 3.43Å; C41-F44 PolarHBondContact O-N 3.34Å; C41-F44 PolarHBondContact SG-N 3.12Å; C41-F44 VanDerWaalsContact SG-N 3.44Å; E42-F44 PolarHBondContact O-N 3.4Å; F44-K46 PolarHBondContact O-N 3.14Å; F44-A47 PolarHBondContact O-N 3.25Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.47Å; F44-H59 HydrophobicContact CD1-CB 3.77Å; F44-H59 AromaticContact CD1-CG 3.94Å; F44-H59 HydrophobicContact CD2-CB 4.18Å; F44-H59 AromaticContact CD2-CE1 3.52Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 AromaticContact CD2-ND1 3.25Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.08Å; F44-H59 HydrophobicContact CE1-CB 3.82Å; F44-H59 HydrophobicContact CE2-CB 4.23Å; F44-H59 AromaticContact CE2-ND1 3.53Å; F44-H59 HydrophobicContact CG-CB 3.95Å; F44-H59 AromaticContact CG-CD2 3.78Å; F44-H59 AromaticContact CG-CG 3.57Å; F44-H59 AromaticContact CG-ND1 3.73Å; F44-H59 HydrophobicContact CZ-CB 4.05Å; F44-S61 WeakPolarHBondContact CZ-OG 3.46Å
45L91.6Very high89.8Confident144 Ų14462.2 Ų62.275%0.75441%0.409SS*.Hα-helixtrans-61.4-34.4173.3-172.364.5000112.1C41 E42 A47C41-L45 PolarHBondContact O-N 2.85Å; C41-L45 VanDerWaalsContact O-N 3.13Å; E42-L45 PolarHBondContact O-N 3.13Å; L45-A47 VanDerWaalsContact C-N 3.31Å
46K93.4Very high90Very high133 Ų13362.4 Ų62.458%0.57841%0.412SS*.THydrogen-bonded Turntrans-8710.9174.3-63.9163178.4167.80113.4E42 F43 F44 A48E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 WeakPolarHBondContact O-CG 3.3Å; E42-K46 PolarHBondContact O-N 3.5Å; E42-K46 IonicContact OE2-NZ 2.88Å; E42-K46 PolarHBondContact OE2-NZ 2.97Å; F43-K46 CarbonylContact O-C 3.58Å; F44-K46 PolarHBondContact O-N 3.14Å; K46-A48 PolarHBondContact O-N 2.85Å
47A91.3Very high90.6Very high97 Ų9762.9 Ų62.980%0.80241%0.411SS*.THydrogen-bonded Turntrans55.616.1-179.900000117.3F43 F44 L45F43-A47 CarbonylContact O-C 3.54Å; F43-A47 PolarHBondContact O-N 3.15Å; F44-A47 PolarHBondContact O-N 3.25Å; L45-A47 VanDerWaalsContact C-N 3.31Å
48A93.3Very high91Very high70 Ų7061.7 Ų61.758%0.57939%0.389SS*.  trans-104.22.6-176.600000114.9F43 K46 G50F43-A48 CarbonylContact O-C 3.55Å; F43-A48 WeakPolarHBondContact O-CA 3.17Å; F43-A48 PolarHBondContact O-N 3.42Å; K46-A48 PolarHBondContact O-N 2.85Å; A48-G50 PolarHBondContact O-N 2.76Å
49C92.1Very high91.1Very high24 Ų2461.3 Ų61.316%0.16238%0.383CS..  trans-75.389.9-173.5179.50000114.2C41 F43 F44 K51 H59C41-C49 VanDerWaalsContact SG-SG 3.64Å; F43-C49 HydrophobicContact CB-CB 3.89Å; F43-C49 PolarHBondContact O-N 2.97Å; F44-C49 HydrophobicContact CB-CB 3.96Å; F44-C49 HydrophobicContact CD2-CB 4.47Å; C49-K51 PolarHBondContact O-N 3.4Å; C49-K51 VanDerWaalsContact O-N 3.13Å; C49-H59 PolarHBondContact SG-NE2 3.12Å; C49-H59 VanDerWaalsContact SG-NE2 3.39Å
50G89.9Confident91Very high83 Ų8361.7 Ų61.786%0.85638%0.376SS*.THydrogen-bonded Turntrans-63-12.1174.500000116.3A48 G52A48-G50 PolarHBondContact O-N 2.76Å; G50-G52 PolarHBondContact O-N 3.44Å
51K88.2Confident90.6Very high72 Ų7261.8 Ų61.831%0.31338%0.379SS..THydrogen-bonded Turntrans-74.3-7.1-178.8-58.3-179-174.1176.40114.2A25 C49 M54 C55A25-K51 PolarHBondContact O-NZ 2.77Å; C49-K51 PolarHBondContact O-N 3.4Å; C49-K51 VanDerWaalsContact O-N 3.13Å; K51-M54 CarbonylContact O-C 3.2Å; K51-M54 PolarHBondContact O-N 3.29Å; K51-C55 HydrophobicContact CB-CB 3.72Å; K51-C55 PolarHBondContact O-N 3.48Å
52G86.5Confident90.1Very high36 Ų3664.6 Ų64.637%0.37141%0.409SS..G310 helixtrans53.9-143.9175.500000114G50 M54 C55 H59G50-G52 PolarHBondContact O-N 3.44Å; G52-M54 PolarHBondContact O-N 3Å; G52-C55 WeakPolarHBondContact O-CB 3.37Å; G52-C55 PolarHBondContact O-N 3.39Å; G52-H59 PolarHBondContact O-CE1 2.86Å
53G85.6Confident89.8Confident67 Ų6770 Ų7069%0.69143%0.434SS*.G310 helixtrans-68.3-12.9177.400000115.1
54M88.8Confident89.6Confident84 Ų8468.3 Ų68.341%0.41443%0.426SS..G310 helixtrans-956.4177.9-65.3176.96800113P27 L28 K51 G52P27-M54 HydrophobicContact CB-CB 4.5Å; L28-M54 PolarHBondContact N-O 3.21Å; L28-M54 WeakPolarHBondContact O-CE 3.33Å; K51-M54 CarbonylContact O-C 3.2Å; K51-M54 PolarHBondContact O-N 3.29Å; G52-M54 PolarHBondContact O-N 3Å
55C91.9Very high89.5Confident0 Ų070.1 Ų70.10%044%0.444CS..  trans-57.5132.7171.4-170.40000111K35 K51 G52 F57 H59K35-C55 WeakPolarHBondContact CD-O 3.35Å; K35-C55 WeakPolarHBondContact CE-O 3.47Å; K51-C55 HydrophobicContact CB-CB 3.72Å; K51-C55 PolarHBondContact O-N 3.48Å; G52-C55 WeakPolarHBondContact O-CB 3.37Å; G52-C55 PolarHBondContact O-N 3.39Å; C55-F57 PolarHBondContact O-N 3.04Å; C55-H59 WeakPolarHBondContact CB-NE2 3.35Å; C55-H59 PolarHBondContact SG-NE2 2.62Å
56P91.1Very high89.6Confident26 Ų2665.6 Ų65.617%0.16942%0.422CS..SBendtrans-73.7-12.1176.831.6-37.4000113.7A25 Q26 L28 A38A25-P56 HydrophobicContact CB-CG 4.16Å; Q26-P56 WeakPolarHBondContact O-CG 3.37Å; L28-P56 HydrophobicContact CD2-CB 3.91Å; L28-P56 HydrophobicContact CG-CB 4.36Å; A38-P56 WeakPolarHBondContact CB-O 3.49Å
57F92.4Very high89.7Confident39 Ų3959.3 Ų59.317%0.17140%0.395CS..SBendtrans-98.8150.1179.6-60.6-79.7000112.2Q22 A25 K35 A39 C41 C55 H59Q22-F57 HydrophobicContact CB-CE2 3.65Å; Q22-F57 HydrophobicContact CB-CZ 3.93Å; Q22-F57 HydrophobicContact CG-CD2 4.14Å; Q22-F57 HydrophobicContact CG-CE1 4.46Å; Q22-F57 HydrophobicContact CG-CE2 3.58Å; Q22-F57 HydrophobicContact CG-CZ 3.76Å; A25-F57 HydrophobicContact CB-CE2 3.48Å; A25-F57 VanDerWaalsContact CB-CE2 3.48Å; A25-F57 HydrophobicContact CB-CZ 3.76Å; K35-F57 WeakPolarHBondContact CE-O 3.38Å; A39-F57 HydrophobicContact CB-CD1 4.05Å; A39-F57 HydrophobicContact CB-CE1 4.38Å; A39-F57 CarbonylContact O-C 3.53Å; A39-F57 WeakPolarHBondContact O-CA 3.28Å; A39-F57 WeakPolarHBondContact O-CB 3.49Å; C41-F57 HydrophobicContact CB-CB 3.63Å; C55-F57 PolarHBondContact O-N 3.04Å; F57-H59 PolarHBondContact O-CD2 3.02Å; F57-H59 PolarHBondContact O-N 2.92Å
58R91.5Very high89.8Confident29 Ų2954.7 Ų54.711%0.10936%0.357CS..BIsolated β-bridgetrans-63.7126.9-178.3-62.6-175.656.451.310.1111.5K35 A38 A39 C41 D80K35-R58 HydrophobicContact CB-CG 4.19Å; K35-R58 VanDerWaalsContact O-CD 3.24Å; K35-R58 WeakPolarHBondContact O-CD 3.2Å; K35-R58 WeakPolarHBondContact O-CG 3.29Å; K35-R58 PolarHBondContact O-NH1 3.01Å; A38-R58 HydrophobicContact CB-CG 4.29Å; A38-R58 WeakPolarHBondContact O-CD 3.35Å; A38-R58 VanDerWaalsContact O-CG 3.27Å; A38-R58 WeakPolarHBondContact O-CG 3.36Å; A39-R58 PolarHBondContact O-N 3.47Å; C41-R58 PolarHBondContact N-O 3.39Å; R58-D80 IonicContact CZ-OD1 2.72Å; R58-D80 IonicContact NH1-OD1 3.16Å; R58-D80 PolarHBondContact NH1-OD1 3.39Å; R58-D80 IonicContact NH2-OD1 3.87Å
59H91.1Very high89.8Confident19 Ų1956.5 Ų56.59%0.08835%0.351CS..  trans-95.2111.7170-71.7-167.2000108.6C41 F44 C49 G52 C55 F57 S61 D80C41-H59 VanDerWaalsContact CB-CD2 3.47Å; C41-H59 WeakPolarHBondContact CB-CD2 3.2Å; F44-H59 HydrophobicContact CD1-CB 3.77Å; F44-H59 AromaticContact CD1-CG 3.94Å; F44-H59 HydrophobicContact CD2-CB 4.18Å; F44-H59 AromaticContact CD2-CE1 3.52Å; F44-H59 AromaticContact CD2-CG 3.61Å; F44-H59 AromaticContact CD2-ND1 3.25Å; F44-H59 WeakPolarHBondContact CD2-ND1 3.08Å; F44-H59 HydrophobicContact CE1-CB 3.82Å; F44-H59 HydrophobicContact CE2-CB 4.23Å; F44-H59 AromaticContact CE2-ND1 3.53Å; F44-H59 HydrophobicContact CG-CB 3.95Å; F44-H59 AromaticContact CG-CD2 3.78Å; F44-H59 AromaticContact CG-CG 3.57Å; F44-H59 AromaticContact CG-ND1 3.73Å; F44-H59 HydrophobicContact CZ-CB 4.05Å; C49-H59 PolarHBondContact SG-NE2 3.12Å; C49-H59 VanDerWaalsContact SG-NE2 3.39Å; G52-H59 PolarHBondContact O-CE1 2.86Å; C55-H59 WeakPolarHBondContact CB-NE2 3.35Å; C55-H59 PolarHBondContact SG-NE2 2.62Å; F57-H59 PolarHBondContact O-CD2 3.02Å; F57-H59 PolarHBondContact O-N 2.92Å; H59-S61 PolarHBondContact O-N 3.46Å; H59-D80 PolarHBondContact N-OD2 3.18Å; H59-D80 WeakPolarHBondContact O-CB 3.47Å
60I88.7Confident89.9Confident70 Ų7060.6 Ų60.636%0.35937%0.368SS..  trans-92.4100.9177.3-58.3-177.8000108.5V40V40-I60 HydrophobicContact CB-CD1 4.45Å; V40-I60 HydrophobicContact CG1-CD1 3.87Å; V40-I60 HydrophobicContact CG1-CG1 4.09Å; V40-I60 HydrophobicContact CG2-CD1 3.65Å; V40-I60 HydrophobicContact CG2-CG1 4.4Å
61S83.2Confident90.1Very high73 Ų7359.2 Ų59.251%0.5134%0.337SS..  trans-99.5133.4170.1-60.40000110.6F44 H59 K64F44-S61 WeakPolarHBondContact CZ-OG 3.46Å; H59-S61 PolarHBondContact O-N 3.46Å; S61-K64 PolarHBondContact O-NZ 3.46Å
62G83.1Confident90.2Very high61 Ų6158.5 Ų58.563%0.62934%0.337SS*.SBendtrans70.7154.2171.200000116.2K64G62-K64 PolarHBondContact O-NZ 2.9Å
63E85.5Confident90.4Very high198 Ų19865 Ų6593%0.92535%0.35SS*.  trans-70.6136.3168.4-67.2172.6-156.400110
64K89.2Confident90.6Very high36 Ų3663.6 Ų63.616%0.15734%0.335CS..  trans-129.7121.1-177.3-71.8170.8-67.5-62.50109.2S61 G62 C82 L85S61-K64 PolarHBondContact O-NZ 3.46Å; G62-K64 PolarHBondContact O-NZ 2.9Å; K64-C82 VanDerWaalsContact CD-O 3.29Å; K64-C82 WeakPolarHBondContact CD-O 3.27Å; K64-L85 HydrophobicContact CB-CB 4.08Å; K64-L85 HydrophobicContact CB-CD1 3.86Å
65T91.8Very high90.6Very high112 Ų11263.2 Ų63.269%0.68733%0.334SS*.  trans-91.8-22.8-163.150.80000114.8K92T65-K92 WeakPolarHBondContact O-CB 3.22Å
66V93.8Very high90.6Very high48 Ų4863.6 Ų63.629%0.29134%0.337SS..SBendtrans-132.6136-171.6178.60000111F84 L85 K92 P94V66-F84 HydrophobicContact CB-CD1 4.37Å; V66-F84 HydrophobicContact CG1-CD1 4.48Å; V66-F84 CarbonylContact O-C 3.52Å; V66-F84 WeakPolarHBondContact O-CA 3.24Å; V66-L85 PolarHBondContact O-N 3.31Å; V66-K92 CarbonylContact C-O 3.56Å; V66-K92 WeakPolarHBondContact CA-O 3.47Å; V66-P94 HydrophobicContact CG1-CB 3.77Å; V66-P94 HydrophobicContact CG1-CG 4.04Å
67V94.6Very high90.4Very high1 Ų172 Ų721%0.00637%0.371CS..BIsolated β-bridgetrans-67.7137.2-176.61790000113K69 W71 L72 L85 E87 D89 K92 M93 P94V67-K69 PolarHBondContact O-N 2.84Å; V67-K69 VanDerWaalsContact O-N 3.13Å; V67-W71 HydrophobicContact CG1-CE3 4.34Å; V67-W71 HydrophobicContact CG1-CZ3 4.43Å; V67-L72 HydrophobicContact CG1-CD1 3.85Å; V67-L72 HydrophobicContact CG1-CD2 3.98Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; V67-L85 HydrophobicContact CG2-CD2 4.41Å; V67-E87 WeakPolarHBondContact CG1-O 3.34Å; V67-E87 WeakPolarHBondContact CG2-O 3.45Å; V67-D89 HydrophobicContact CG2-CB 4.44Å; V67-D89 WeakPolarHBondContact CG2-O 3.05Å; V67-K92 HydrophobicContact CG2-CB 4.03Å; V67-K92 PolarHBondContact N-O 3.02Å; V67-M93 HydrophobicContact CB-SD 4.3Å; V67-M93 HydrophobicContact CG1-CE 4.34Å; V67-M93 HydrophobicContact CG1-SD 4.36Å; V67-P94 WeakPolarHBondContact O-CD 3.05Å
68C94Very high90.3Very high1 Ų174.9 Ų74.91%0.00738%0.383CS..  trans-72.9102.5-178.5-177.30000112.2H70 W71 L72 C82 F84 L85C68-H70 PolarHBondContact O-N 3.44Å; C68-W71 HydrophobicContact CB-CB 3.7Å; C68-W71 PolarHBondContact O-N 3.49Å; C68-W71 PolarHBondContact SG-N 3.29Å; C68-W71 VanDerWaalsContact SG-N 3.42Å; C68-L72 PolarHBondContact O-N 2.95Å; C68-L72 VanDerWaalsContact O-N 3.17Å; C68-C82 VanDerWaalsContact SG-SG 3.64Å; C68-F84 HydrophobicContact CB-CB 3.51Å; C68-L85 VanDerWaalsContact CB-O 3.27Å; C68-L85 WeakPolarHBondContact CB-O 3.43Å; C68-L85 PolarHBondContact N-O 2.94Å
69K93.8Very high90Very high107 Ų10773.7 Ų73.747%0.46538%0.38SS..THydrogen-bonded Turntrans-49-26.1173.1-177.5174.1178.81770114.8V67 F112V67-K69 PolarHBondContact O-N 2.84Å; V67-K69 VanDerWaalsContact O-N 3.13Å; K69-F112 HydrophobicContact CD-CE1 4.43Å; K69-F112 HydrophobicContact CD-CZ 4.35Å; K69-F112 HydrophobicContact CG-CE1 4.3Å; K69-F112 HydrophobicContact CG-CZ 4.17Å
70H93.3Very high89.7Confident110 Ų11074.1 Ų74.151%0.50938%0.383SS..THydrogen-bonded Turntrans-87.6-32.1177.9-57.9108.1000113.1C68 R73 G74 L75 C76C68-H70 PolarHBondContact O-N 3.44Å; H70-R73 PolarHBondContact O-N 3.17Å; H70-G74 PolarHBondContact O-N 2.95Å; H70-L75 PolarHBondContact O-N 3.15Å; H70-C76 HydrophobicContact CB-CB 4.18Å; H70-C76 PolarHBondContact O-N 2.67Å
71W93.4Very high89.6Confident54 Ų5479 Ų7921%0.20540%0.404CS..G310 helixtrans-69.2-39.5176171.479.8000111.6V67 C68 R73 G74 C76 H86 E87V67-W71 HydrophobicContact CG1-CE3 4.34Å; V67-W71 HydrophobicContact CG1-CZ3 4.43Å; C68-W71 HydrophobicContact CB-CB 3.7Å; C68-W71 PolarHBondContact O-N 3.49Å; C68-W71 PolarHBondContact SG-N 3.29Å; C68-W71 VanDerWaalsContact SG-N 3.42Å; W71-R73 PolarHBondContact O-N 2.59Å; W71-G74 PolarHBondContact O-N 3.45Å; W71-C76 HydrophobicContact CB-CB 4.12Å; W71-H86 AromaticContact CD1-CE1 3.85Å; W71-H86 AromaticContact CD1-CG 3.47Å; W71-H86 VanDerWaalsContact CD1-CG 3.47Å; W71-H86 AromaticContact CD1-ND1 3.29Å; W71-H86 VanDerWaalsContact CD1-ND1 3.29Å; W71-H86 HydrophobicContact CD2-CB 4.02Å; W71-H86 HydrophobicContact CG-CB 3.92Å; W71-H86 AromaticContact CG-CD2 3.86Å; W71-H86 AromaticContact CG-CG 3.6Å; W71-H86 AromaticContact CG-ND1 3.81Å; W71-H86 VanDerWaalsContact CZ2-O 3.25Å; W71-H86 WeakPolarHBondContact CZ2-O 3.38Å; W71-H86 AromaticContact NE1-ND1 3.97Å; W71-E87 VanDerWaalsContact CH2-C 3.42Å; W71-E87 WeakPolarHBondContact CZ3-O 3.48Å
72L91.8Very high90Very high58 Ų5876 Ų7630%0.30438%0.384SS..G310 helixtrans-56.5-12172.2-66.3171.3000114.5V67 C68 Y88 M93V67-L72 HydrophobicContact CG1-CD1 3.85Å; V67-L72 HydrophobicContact CG1-CD2 3.98Å; V67-L72 HydrophobicContact CG1-CG 3.91Å; C68-L72 PolarHBondContact O-N 2.95Å; C68-L72 VanDerWaalsContact O-N 3.17Å; L72-Y88 HydrophobicContact CD2-CD2 3.87Å; L72-Y88 HydrophobicContact CD2-CE2 4.25Å; L72-M93 HydrophobicContact CD1-CE 3.68Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.33Å; L72-M93 HydrophobicContact CD2-CE 4.36Å
73R90.3Very high90.4Very high173 Ų17378.8 Ų78.865%0.65338%0.38SS*.G310 helixtrans-112.61.3176.4-61.9-179.6174.8-166.5-5.9113.2H70 W71 L75H70-R73 PolarHBondContact O-N 3.17Å; W71-R73 PolarHBondContact O-N 2.59Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.12Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 WeakPolarHBondContact O-CG 3.22Å; R73-L75 PolarHBondContact O-N 3.33Å
74G89.1Confident90.8Very high36 Ų3674 Ų7437%0.37136%0.356SS..THydrogen-bonded Turntrans70.618.8-173.100000114.9H70 W71 K247H70-G74 PolarHBondContact O-N 2.95Å; W71-G74 PolarHBondContact O-N 3.45Å; G74-K247 PolarHBondContact O-NZ 2.83Å
75L89.9Confident90.9Very high77 Ų7772.6 Ų72.640%0.40335%0.351SS..  trans-114.610.1-170-59.3-179.1000114.6H70 R73 K77 N256H70-L75 PolarHBondContact O-N 3.15Å; R73-L75 VanDerWaalsContact C-N 3.29Å; R73-L75 HydrophobicContact CB-CD1 4.12Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 WeakPolarHBondContact O-CG 3.22Å; R73-L75 PolarHBondContact O-N 3.33Å; L75-K77 PolarHBondContact O-N 2.68Å; L75-K77 VanDerWaalsContact O-N 3.17Å; L75-N256 HydrophobicContact CD2-CB 4.38Å; L75-N256 WeakPolarHBondContact CD2-OD1 3.42Å
76C91Very high90.8Very high8 Ų868 Ų685%0.05432%0.321CS..  trans-73.4109.5-178.9-169.80000112H70 W71 K78 C82 H86H70-C76 HydrophobicContact CB-CB 4.18Å; H70-C76 PolarHBondContact O-N 2.67Å; W71-C76 HydrophobicContact CB-CB 4.12Å; C76-K78 VanDerWaalsContact C-N 3.35Å; C76-C82 VanDerWaalsContact SG-SG 3.67Å; C76-H86 VanDerWaalsContact SG-CE1 3.51Å; C76-H86 PolarHBondContact SG-NE2 3.39Å
77K88Confident90.6Very high203 Ų20370.1 Ų70.188%0.88333%0.328SS*.THydrogen-bonded Turntrans-77.8-13.6176.2-64-172.4178.6-175.30114.7L75 G79L75-K77 PolarHBondContact O-N 2.68Å; L75-K77 VanDerWaalsContact O-N 3.17Å; K77-G79 VanDerWaalsContact C-N 3.34Å
78K88.6Confident90.5Very high98 Ų9878 Ų7843%0.42636%0.359SS..THydrogen-bonded Turntrans-78.4-18178.5-67.2-165.2175.2-173.10113C76 D80 Q81 C82 E83C76-K78 VanDerWaalsContact C-N 3.35Å; K78-D80 PolarHBondContact O-N 2.87Å; K78-Q81 WeakPolarHBondContact O-CA 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 2.82Å; K78-C82 HydrophobicContact CB-CB 3.84Å; K78-E83 IonicContact NZ-OE1 3.96Å; K78-E83 PolarHBondContact NZ-OE1 3.26Å; K78-E83 IonicContact NZ-OE2 2.71Å; K78-E83 PolarHBondContact NZ-OE2 3.24Å
79G85.1Confident90.4Very high5 Ų579.8 Ų79.85%0.05237%0.368CS..G310 helixtrans53.5-121-177.600000111.5K77 Q81 H86K77-G79 VanDerWaalsContact C-N 3.34Å; G79-Q81 VanDerWaalsContact C-N 3.33Å; G79-H86 PolarHBondContact O-CE1 3.33Å
80D86Confident90.3Very high27 Ų2777.9 Ų77.914%0.14436%0.362CS..G310 helixtrans-73.4-21.8177.8-64.5-6000113.6K35 R58 H59 K78 C82K35-D80 WeakPolarHBondContact CE-OD2 3.48Å; K35-D80 IonicContact NZ-OD2 3.57Å; K35-D80 PolarHBondContact NZ-OD2 3.3Å; R58-D80 IonicContact CZ-OD1 2.72Å; R58-D80 IonicContact NH1-OD1 3.16Å; R58-D80 PolarHBondContact NH1-OD1 3.39Å; R58-D80 IonicContact NH2-OD1 3.87Å; H59-D80 PolarHBondContact N-OD2 3.18Å; H59-D80 WeakPolarHBondContact O-CB 3.47Å; K78-D80 PolarHBondContact O-N 2.87Å; D80-C82 PolarHBondContact O-N 3.35Å
81Q86.8Confident90.2Very high172 Ų17277.9 Ų77.980%0.80437%0.37SS*.G310 helixtrans-86.322.2179.7-58.1178.2-500112.3K78 G79K78-Q81 WeakPolarHBondContact O-CA 3.35Å; K78-Q81 WeakPolarHBondContact O-CB 3.41Å; K78-Q81 PolarHBondContact O-N 2.82Å; G79-Q81 VanDerWaalsContact C-N 3.33Å
82C91Very high90.1Very high12 Ų1279.3 Ų79.38%0.08138%0.377CS..  trans-82.8132176.7-156.30000110.6K64 C68 C76 K78 D80 F84 H86K64-C82 VanDerWaalsContact CD-O 3.29Å; K64-C82 WeakPolarHBondContact CD-O 3.27Å; C68-C82 VanDerWaalsContact SG-SG 3.64Å; C76-C82 VanDerWaalsContact SG-SG 3.67Å; K78-C82 HydrophobicContact CB-CB 3.84Å; D80-C82 PolarHBondContact O-N 3.35Å; C82-F84 PolarHBondContact O-N 3.17Å; C82-H86 WeakPolarHBondContact CB-NE2 3.19Å
83E91.6Very high90.2Very high118 Ų11876.8 Ų76.855%0.55136%0.364SS*.SBendtrans-70-10.9172.3-49.290.8165.700112.5K78K78-E83 IonicContact NZ-OE1 3.96Å; K78-E83 PolarHBondContact NZ-OE1 3.26Å; K78-E83 IonicContact NZ-OE2 2.71Å; K78-E83 PolarHBondContact NZ-OE2 3.24Å
84F93.5Very high90.4Very high97 Ų9770.2 Ų70.243%0.42534%0.344SS..SBendtrans-106.5147.3-177.2-59.4-81.4000111.4V66 C68 C82 H86V66-F84 HydrophobicContact CB-CD1 4.37Å; V66-F84 HydrophobicContact CG1-CD1 4.48Å; V66-F84 CarbonylContact O-C 3.52Å; V66-F84 WeakPolarHBondContact O-CA 3.24Å; C68-F84 HydrophobicContact CB-CB 3.51Å; C82-F84 PolarHBondContact O-N 3.17Å; F84-H86 PolarHBondContact O-CD2 2.87Å
85L91.5Very high90.5Very high8 Ų872.2 Ų72.24%0.04234%0.344CS..BIsolated β-bridgetrans-66.9134-175.1-166.168.8000111.5K64 V66 V67 C68 E87 K92K64-L85 HydrophobicContact CB-CB 4.08Å; K64-L85 HydrophobicContact CB-CD1 3.86Å; V66-L85 PolarHBondContact O-N 3.31Å; V67-L85 HydrophobicContact CG2-CD2 4.41Å; C68-L85 VanDerWaalsContact CB-O 3.27Å; C68-L85 WeakPolarHBondContact CB-O 3.43Å; C68-L85 PolarHBondContact N-O 2.94Å; L85-E87 HydrophobicContact CD1-CG 4.21Å; L85-E87 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E87 HydrophobicContact CD2-CB 3.99Å; L85-E87 HydrophobicContact CG-CB 3.86Å; L85-E87 HydrophobicContact CG-CG 4.08Å; L85-K92 HydrophobicContact CD2-CD 3.78Å
86H90.9Very high90.7Very high16 Ų1668.8 Ų68.87%0.07433%0.326CS..  trans-10349.9176.6-79.8-153.4000110.1S36 W71 C76 G79 C82 F84S36-H86 PolarHBondContact OG-ND1 2.87Å; W71-H86 AromaticContact CD1-CE1 3.85Å; W71-H86 AromaticContact CD1-CG 3.47Å; W71-H86 VanDerWaalsContact CD1-CG 3.47Å; W71-H86 AromaticContact CD1-ND1 3.29Å; W71-H86 VanDerWaalsContact CD1-ND1 3.29Å; W71-H86 HydrophobicContact CD2-CB 4.02Å; W71-H86 HydrophobicContact CG-CB 3.92Å; W71-H86 AromaticContact CG-CD2 3.86Å; W71-H86 AromaticContact CG-CG 3.6Å; W71-H86 AromaticContact CG-ND1 3.81Å; W71-H86 VanDerWaalsContact CZ2-O 3.25Å; W71-H86 WeakPolarHBondContact CZ2-O 3.38Å; W71-H86 AromaticContact NE1-ND1 3.97Å; C76-H86 VanDerWaalsContact SG-CE1 3.51Å; C76-H86 PolarHBondContact SG-NE2 3.39Å; G79-H86 PolarHBondContact O-CE1 3.33Å; C82-H86 WeakPolarHBondContact CB-NE2 3.19Å; F84-H86 PolarHBondContact O-CD2 2.87Å
87E89.6Confident90.8Very high91 Ų9175.2 Ų75.243%0.42535%0.35SS..SBendtrans-137.2148.8-178.2-64.1160.9-152.800109.1V67 W71 L85 D89V67-E87 WeakPolarHBondContact CG1-O 3.34Å; V67-E87 WeakPolarHBondContact CG2-O 3.45Å; W71-E87 VanDerWaalsContact CH2-C 3.42Å; W71-E87 WeakPolarHBondContact CZ3-O 3.48Å; L85-E87 HydrophobicContact CD1-CG 4.21Å; L85-E87 WeakPolarHBondContact CD1-OE1 3.25Å; L85-E87 HydrophobicContact CD2-CB 3.99Å; L85-E87 HydrophobicContact CG-CB 3.86Å; L85-E87 HydrophobicContact CG-CG 4.08Å; E87-D89 PolarHBondContact O-N 3.44Å; E87-D89 VanDerWaalsContact O-N 3.15Å
88Y91.1Very high91.1Very high168 Ų16871 Ų7166%0.65933%0.332SS*.  trans-89.873.5-176.3-169.4-97.4000110.9L72 M90L72-Y88 HydrophobicContact CD2-CD2 3.87Å; L72-Y88 HydrophobicContact CD2-CE2 4.25Å; Y88-M90 HydrophobicContact CD1-CE 3.71Å; Y88-M90 HydrophobicContact CD2-CE 3.65Å; Y88-M90 HydrophobicContact CE1-CE 3.48Å; Y88-M90 VanDerWaalsContact CE1-CE 3.48Å; Y88-M90 HydrophobicContact CE1-CG 4.38Å; Y88-M90 HydrophobicContact CE1-SD 3.95Å; Y88-M90 HydrophobicContact CE2-CE 3.43Å; Y88-M90 VanDerWaalsContact CE2-CE 3.43Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 HydrophobicContact CG-CE 3.78Å
89D92.1Very high91.2Very high37 Ų3768.7 Ų68.720%0.19832%0.321CS..  trans-111.2113.9176.7-175.2-16.5000110.7V67 E87 T91 K92 M93V67-D89 HydrophobicContact CG2-CB 4.44Å; V67-D89 WeakPolarHBondContact CG2-O 3.05Å; E87-D89 PolarHBondContact O-N 3.44Å; E87-D89 VanDerWaalsContact O-N 3.15Å; D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.28Å; D89-T91 WeakPolarHBondContact OD1-CA 3.02Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å; D89-K92 HydrophobicContact CB-CB 4.23Å; D89-K92 HydrophobicContact CB-CG 4.43Å; D89-K92 PolarHBondContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.34Å; D89-K92 WeakPolarHBondContact OD2-CD 2.94Å; D89-K92 WeakPolarHBondContact OD2-CG 3.38Å; D89-K92 IonicContact OD2-NZ 3.54Å; D89-K92 PolarHBondContact OD2-NZ 2.97Å; D89-M93 PolarHBondContact O-N 2.72Å
90M90.8Very high91.5Very high67 Ų6771.1 Ų71.133%0.3334%0.337SS..SBendtrans-71.1-26.4-179.3-58.8-58.190.300112.6Y88 K92 M93Y88-M90 HydrophobicContact CD1-CE 3.71Å; Y88-M90 HydrophobicContact CD2-CE 3.65Å; Y88-M90 HydrophobicContact CE1-CE 3.48Å; Y88-M90 VanDerWaalsContact CE1-CE 3.48Å; Y88-M90 HydrophobicContact CE1-CG 4.38Å; Y88-M90 HydrophobicContact CE1-SD 3.95Å; Y88-M90 HydrophobicContact CE2-CE 3.43Å; Y88-M90 VanDerWaalsContact CE2-CE 3.43Å; Y88-M90 HydrophobicContact CE2-SD 4.27Å; Y88-M90 HydrophobicContact CG-CE 3.78Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 3.17Å; M90-M93 HydrophobicContact CE-CE 3.31Å; M90-M93 WeakPolarHBondContact O-CB 3.12Å; M90-M93 PolarHBondContact O-N 3.13Å; M90-M93 HydrophobicContact SD-CE 3.96Å
91T91.2Very high91.6Very high111 Ų11175.6 Ų75.668%0.68136%0.355SS*.THydrogen-bonded Turntrans-71.1-26.3177.472.40000112.2D89D89-T91 VanDerWaalsContact C-N 3.31Å; D89-T91 VanDerWaalsContact CG-OG1 3.31Å; D89-T91 PolarHBondContact O-N 3.28Å; D89-T91 WeakPolarHBondContact OD1-CA 3.02Å; D89-T91 WeakPolarHBondContact OD1-CB 3.41Å; D89-T91 PolarHBondContact OD1-N 2.85Å; D89-T91 PolarHBondContact OD1-OG1 3.25Å; D89-T91 PolarHBondContact OD2-OG1 2.96Å
92K92.7Very high91.8Very high83 Ų8373.7 Ų73.736%0.36134%0.344SS..THydrogen-bonded Turntrans-99.411.5178.2-62.7-173.4-171.391.70113.3T65 V66 V67 L85 D89 M90T65-K92 WeakPolarHBondContact O-CB 3.22Å; V66-K92 CarbonylContact C-O 3.56Å; V66-K92 WeakPolarHBondContact CA-O 3.47Å; V67-K92 HydrophobicContact CG2-CB 4.03Å; V67-K92 PolarHBondContact N-O 3.02Å; L85-K92 HydrophobicContact CD2-CD 3.78Å; D89-K92 HydrophobicContact CB-CB 4.23Å; D89-K92 HydrophobicContact CB-CG 4.43Å; D89-K92 PolarHBondContact O-N 3.13Å; D89-K92 PolarHBondContact OD1-N 3.34Å; D89-K92 WeakPolarHBondContact OD2-CD 2.94Å; D89-K92 WeakPolarHBondContact OD2-CG 3.38Å; D89-K92 IonicContact OD2-NZ 3.54Å; D89-K92 PolarHBondContact OD2-NZ 2.97Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 3.17Å
93M93.7Very high91.6Very high5 Ų575.5 Ų75.53%0.02537%0.366CS..PPolyproline II helixtrans-70.3138.8178.6-16870.55900111V67 L72 D89 M90 P111 F112 L113V67-M93 HydrophobicContact CB-SD 4.3Å; V67-M93 HydrophobicContact CG1-CE 4.34Å; V67-M93 HydrophobicContact CG1-SD 4.36Å; L72-M93 HydrophobicContact CD1-CE 3.68Å; L72-M93 HydrophobicContact CD1-SD 3.43Å; L72-M93 WeakPolarHBondContact CD1-SD 3.33Å; L72-M93 HydrophobicContact CD2-CE 4.36Å; D89-M93 PolarHBondContact O-N 2.72Å; M90-M93 HydrophobicContact CE-CE 3.31Å; M90-M93 WeakPolarHBondContact O-CB 3.12Å; M90-M93 PolarHBondContact O-N 3.13Å; M90-M93 HydrophobicContact SD-CE 3.96Å; M93-P111 VanDerWaalsContact CG-O 3.31Å; M93-P111 WeakPolarHBondContact CG-O 3.47Å; M93-F112 HydrophobicContact CG-CD1 3.8Å; M93-F112 HydrophobicContact CG-CE1 4.43Å; M93-F112 HydrophobicContact SD-CD1 4.02Å; M93-F112 HydrophobicContact SD-CE1 4.04Å; M93-L113 HydrophobicContact CB-CG 4.33Å; M93-L113 VanDerWaalsContact O-CD1 3.23Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 WeakPolarHBondContact O-CG 3.35Å
94P93.9Very high91.6Very high35 Ų3577 Ų7723%0.22737%0.373CS..PPolyproline II helixtrans-61.1154174.520.2-30.6000113.4V66 V67 F112 L113V66-P94 HydrophobicContact CG1-CB 3.77Å; V66-P94 HydrophobicContact CG1-CG 4.04Å; V67-P94 WeakPolarHBondContact O-CD 3.05Å; P94-F112 HydrophobicContact CG-CD1 4.04Å; P94-F112 HydrophobicContact CG-CE1 4.12Å; P94-F112 WeakPolarHBondContact O-CB 3.43Å; P94-L113 PolarHBondContact O-N 3.06Å
95E92.4Very high91.6Very high79 Ų7973.4 Ų73.437%0.36936%0.359SS..BIsolated β-bridgetrans-57.7141.5178.1-66.8173.7-143.400112.7Y97 I115 K120E95-Y97 PolarHBondContact O-N 3.09Å; E95-I115 HydrophobicContact CG-CD1 3.96Å; E95-K120 IonicContact OE1-NZ 2.76Å; E95-K120 PolarHBondContact OE1-NZ 3.18Å; E95-K120 IonicContact OE2-NZ 3.26Å; E95-K120 PolarHBondContact OE2-NZ 3.05Å
96C94.1Very high91.7Very high5 Ų578.6 Ų78.63%0.03440%0.396CS..  trans-72.2110.6176.4-178.40000111.1F98 Y99 S100 C105 F112 L113 H114C96-F98 VanDerWaalsContact C-N 3.25Å; C96-F98 PolarHBondContact O-N 3.38Å; C96-Y99 PolarHBondContact O-N 3.27Å; C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.43Å; C96-S100 PolarHBondContact O-N 3.43Å; C96-C105 VanDerWaalsContact SG-SG 3.61Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C96-L113 WeakPolarHBondContact CB-O 3.49Å; C96-L113 PolarHBondContact N-O 2.83Å; C96-H114 WeakPolarHBondContact CB-CD2 3.5Å; C96-H114 PolarHBondContact SG-NE2 3.27Å
97Y92.7Very high91.7Very high143 Ų14382.3 Ų82.356%0.56142%0.416SS*.Hα-helixtrans-54.6-37.7179.2-179.2-95.4000113.7E95 K101E95-Y97 PolarHBondContact O-N 3.09Å; Y97-K101 HydrophobicContact CE1-CD 3.8Å; Y97-K101 HydrophobicContact CE2-CD 4.34Å; Y97-K101 WeakPolarHBondContact O-CB 3.37Å; Y97-K101 PolarHBondContact O-N 3.3Å; Y97-K101 WeakPolarHBondContact OH-CD 3.47Å; Y97-K101 PolarHBondContact OH-NZ 2.95Å
98F93.3Very high91.7Very high114 Ų11487.5 Ų87.550%0.544%0.437SS..Hα-helixtrans-69.8-51.5-179.4-64.6-78.3000111C96 S100 K101 F102 E104C96-F98 VanDerWaalsContact C-N 3.25Å; C96-F98 PolarHBondContact O-N 3.38Å; F98-S100 PolarHBondContact O-N 3.17Å; F98-K101 PolarHBondContact O-N 2.97Å; F98-F102 HydrophobicContact CD1-CD2 4.23Å; F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 WeakPolarHBondContact O-CD2 3.27Å; F98-F102 PolarHBondContact O-N 3.27Å; F98-E104 CarbonylContact C-O 3.53Å; F98-E104 VanDerWaalsContact C-O 3.24Å
99Y92Very high91.8Very high49 Ų4987.9 Ų87.919%0.19245%0.445CS..Hα-helixtrans-59.6-48.9178.1-161.5-99.3000112C96 K101 G103 E104 C105 H114 D116C96-Y99 PolarHBondContact O-N 3.27Å; Y99-K101 PolarHBondContact O-N 3.13Å; Y99-G103 WeakPolarHBondContact CE2-O 3.42Å; Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.49Å; Y99-G103 PolarHBondContact O-N 3.14Å; Y99-E104 PolarHBondContact N-O 2.91Å; Y99-C105 HydrophobicContact CD2-CB 4.5Å; Y99-H114 HydrophobicContact CD1-CB 3.71Å; Y99-H114 HydrophobicContact CD2-CB 4.12Å; Y99-H114 AromaticContact CD2-CG 3.81Å; Y99-H114 AromaticContact CD2-ND1 3.84Å; Y99-H114 HydrophobicContact CE1-CB 3.82Å; Y99-H114 HydrophobicContact CE2-CB 4.25Å; Y99-H114 HydrophobicContact CG-CB 3.84Å; Y99-H114 AromaticContact CG-CD2 3.93Å; Y99-H114 AromaticContact CG-CG 3.74Å; Y99-D116 PolarHBondContact OH-OD1 3.22Å
100S90.1Very high91.7Very high56 Ų5687.2 Ų87.239%0.39244%0.444SS..Hα-helixtrans-61.3-28-180-1770000113.9C96 F98C96-S100 VanDerWaalsContact O-CB 3.26Å; C96-S100 WeakPolarHBondContact O-CB 3.43Å; C96-S100 PolarHBondContact O-N 3.43Å; F98-S100 PolarHBondContact O-N 3.17Å
101K89.3Confident91.8Very high121 Ų12187.1 Ų87.153%0.52645%0.448SS..Hα-helixtrans-101.3-33.9-175.8-174.5178178.5-1700114.5Y97 F98 Y99Y97-K101 HydrophobicContact CE1-CD 3.8Å; Y97-K101 HydrophobicContact CE2-CD 4.34Å; Y97-K101 WeakPolarHBondContact O-CB 3.37Å; Y97-K101 PolarHBondContact O-N 3.3Å; Y97-K101 WeakPolarHBondContact OH-CD 3.47Å; Y97-K101 PolarHBondContact OH-NZ 2.95Å; F98-K101 PolarHBondContact O-N 2.97Å; Y99-K101 PolarHBondContact O-N 3.13Å
102F90.4Very high91.9Very high132 Ų13283.9 Ų83.958%0.57942%0.424SS*.Hα-helixtrans-118.4-8.2-171.5-57.1-70.4000113.5F98 E104F98-F102 HydrophobicContact CD1-CD2 4.23Å; F98-F102 HydrophobicContact CD1-CE2 4.1Å; F98-F102 WeakPolarHBondContact O-CB 3.42Å; F98-F102 WeakPolarHBondContact O-CD2 3.27Å; F98-F102 PolarHBondContact O-N 3.27Å; F102-E104 PolarHBondContact O-N 3.42Å
103G87.5Confident91.9Very high51 Ų5182.9 Ų82.953%0.52642%0.422SS..SBendtrans78.4-6.7-174.400000114.7Y99Y99-G103 WeakPolarHBondContact CE2-O 3.42Å; Y99-G103 VanDerWaalsContact O-CA 3.31Å; Y99-G103 WeakPolarHBondContact O-CA 3.49Å; Y99-G103 PolarHBondContact O-N 3.14Å
104E91.1Very high91.8Very high150 Ų15086.4 Ų86.470%0.70144%0.439SS*.  trans-135151.1-176.6-171175.8-172.200111.1F98 Y99 F102F98-E104 CarbonylContact C-O 3.53Å; F98-E104 VanDerWaalsContact C-O 3.24Å; Y99-E104 PolarHBondContact N-O 2.91Å; F102-E104 PolarHBondContact O-N 3.42Å
105C93.4Very high91.5Very high20 Ų2087.4 Ų87.414%0.13544%0.442CS..  trans-128.5124.9169.9-1710000110.1C96 Y99 N107 H114C96-C105 VanDerWaalsContact SG-SG 3.61Å; Y99-C105 HydrophobicContact CD2-CB 4.5Å; C105-N107 PolarHBondContact O-N 3.18Å; C105-N107 VanDerWaalsContact O-N 3.09Å; C105-H114 VanDerWaalsContact CB-CE1 3.42Å; C105-H114 WeakPolarHBondContact CB-CE1 3.46Å; C105-H114 WeakPolarHBondContact CB-NE2 3.31Å
106S94.2Very high91.1Very high117 Ų11787.7 Ų87.782%0.81845%0.446SS*.SBendtrans-66.3-8.6-179.7-176.80000114.6
107N91.1Very high90.3Very high95 Ų9590.8 Ų90.851%0.50847%0.466SS..  trans-103.3120.6-179.4-63.8-25000109.4C105 C110C105-N107 PolarHBondContact O-N 3.18Å; C105-N107 VanDerWaalsContact O-N 3.09Å; N107-C110 HydrophobicContact CB-CB 4.15Å
108K89.6Confident89.5Confident199 Ų19991.1 Ų91.187%0.86547%0.472SS*.SBendtrans-64.2-56.5173.4-62.2-172.1177.7-172.70110.7C110K108-C110 PolarHBondContact O-N 3.45Å
109E91.4Very high88.7Confident176 Ų17689.1 Ų89.182%0.82247%0.473SS*.SBendtrans-82.260.4174.2-48.6-43.4124.200110.9P111E109-P111 WeakPolarHBondContact O-CD 3.45Å
110C92Very high88Confident24 Ų2492.6 Ų92.616%0.16249%0.489CS..  trans-80.6118.1174.7-169.70000109.9N107 K108 F112 H114N107-C110 HydrophobicContact CB-CB 4.15Å; K108-C110 PolarHBondContact O-N 3.45Å; C110-F112 VanDerWaalsContact C-N 3.28Å; C110-F112 PolarHBondContact O-N 3.45Å; C110-H114 WeakPolarHBondContact CB-NE2 3.36Å; C110-H114 PolarHBondContact SG-NE2 3.39Å
111P91.4Very high87.6Confident65 Ų6593.3 Ų93.342%0.42249%0.487SS..  trans-73.6-21.317829.9-35.3000112.7M93 E109M93-P111 VanDerWaalsContact CG-O 3.31Å; M93-P111 WeakPolarHBondContact CG-O 3.47Å; E109-P111 WeakPolarHBondContact O-CD 3.45Å
112F93.4Very high87.4Confident43 Ų4395.2 Ų95.219%0.18950%0.496CS..SBendtrans-79.9140.4-175-59.8-71.5000112K69 M93 P94 C96 C110 H114K69-F112 HydrophobicContact CD-CE1 4.43Å; K69-F112 HydrophobicContact CD-CZ 4.35Å; K69-F112 HydrophobicContact CG-CE1 4.3Å; K69-F112 HydrophobicContact CG-CZ 4.17Å; M93-F112 HydrophobicContact CG-CD1 3.8Å; M93-F112 HydrophobicContact CG-CE1 4.43Å; M93-F112 HydrophobicContact SD-CD1 4.02Å; M93-F112 HydrophobicContact SD-CE1 4.04Å; P94-F112 HydrophobicContact CG-CD1 4.04Å; P94-F112 HydrophobicContact CG-CE1 4.12Å; P94-F112 WeakPolarHBondContact O-CB 3.43Å; C96-F112 HydrophobicContact CB-CB 3.75Å; C110-F112 VanDerWaalsContact C-N 3.28Å; C110-F112 PolarHBondContact O-N 3.45Å; F112-H114 PolarHBondContact O-CD2 3.47Å; F112-H114 VanDerWaalsContact O-CD2 3.27Å; F112-H114 PolarHBondContact O-N 3.38Å
113L92.3Very high87.2Confident61 Ų6191 Ų9132%0.31948%0.479SS..BIsolated β-bridgetrans-60.2123-174.3-64.7-179.4000112M93 P94 C96 I115M93-L113 HydrophobicContact CB-CG 4.33Å; M93-L113 VanDerWaalsContact O-CD1 3.23Å; M93-L113 WeakPolarHBondContact O-CD1 3.46Å; M93-L113 WeakPolarHBondContact O-CG 3.35Å; P94-L113 PolarHBondContact O-N 3.06Å; C96-L113 WeakPolarHBondContact CB-O 3.49Å; C96-L113 PolarHBondContact N-O 2.83Å; L113-I115 HydrophobicContact CB-CD1 4.28Å; L113-I115 HydrophobicContact CB-CG1 4.04Å; L113-I115 HydrophobicContact CD1-CD1 4.37Å; L113-I115 PolarHBondContact O-N 3.4Å
114H92.3Very high87.2Confident79 Ų7988.6 Ų88.637%0.36646%0.455SS..  trans-87.4100.5168.6-69.9-178.5000107.7C96 Y99 C105 C110 F112C96-H114 WeakPolarHBondContact CB-CD2 3.5Å; C96-H114 PolarHBondContact SG-NE2 3.27Å; Y99-H114 HydrophobicContact CD1-CB 3.71Å; Y99-H114 HydrophobicContact CD2-CB 4.12Å; Y99-H114 AromaticContact CD2-CG 3.81Å; Y99-H114 AromaticContact CD2-ND1 3.84Å; Y99-H114 HydrophobicContact CE1-CB 3.82Å; Y99-H114 HydrophobicContact CE2-CB 4.25Å; Y99-H114 HydrophobicContact CG-CB 3.84Å; Y99-H114 AromaticContact CG-CD2 3.93Å; Y99-H114 AromaticContact CG-CG 3.74Å; C105-H114 VanDerWaalsContact CB-CE1 3.42Å; C105-H114 WeakPolarHBondContact CB-CE1 3.46Å; C105-H114 WeakPolarHBondContact CB-NE2 3.31Å; C110-H114 WeakPolarHBondContact CB-NE2 3.36Å; C110-H114 PolarHBondContact SG-NE2 3.39Å; F112-H114 PolarHBondContact O-CD2 3.47Å; F112-H114 VanDerWaalsContact O-CD2 3.27Å; F112-H114 PolarHBondContact O-N 3.38Å
115I88.4Confident87Confident57 Ų5784.7 Ų84.729%0.29244%0.442SS..  trans-114.5121.6177.3-54.1-174.8000107.6E95 L113 S119E95-I115 HydrophobicContact CG-CD1 3.96Å; L113-I115 HydrophobicContact CB-CD1 4.28Å; L113-I115 HydrophobicContact CB-CG1 4.04Å; L113-I115 HydrophobicContact CD1-CD1 4.37Å; L113-I115 PolarHBondContact O-N 3.4Å; I115-S119 WeakPolarHBondContact CG2-OG 3.4Å
116D83.2Confident86.7Confident84 Ų8489.6 Ų89.645%0.44946%0.458SS..  trans-62.1130.3175-68-60.8000110.4Y99 E118 S119 K120Y99-D116 PolarHBondContact OH-OD1 3.22Å; D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 VanDerWaalsContact O-N 3.1Å; D116-S119 PolarHBondContact O-N 2.79Å; D116-S119 PolarHBondContact O-OG 3.46Å; D116-K120 PolarHBondContact O-N 3.3Å
117P77.9Confident86.5Confident70 Ų7086.8 Ų86.846%0.45543%0.43SS..THydrogen-bonded Turntrans-53.7-31.8175.3-28.736.3000113.3K120P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 PolarHBondContact O-N 2.63Å
118E76.4Confident86.2Confident150 Ų15084.2 Ų84.270%0.70142%0.416SS*.THydrogen-bonded Turntrans-69.2-37.3175.3-62.4-164.116600113.5D116 K120 I121D116-E118 PolarHBondContact O-N 2.81Å; D116-E118 VanDerWaalsContact O-N 3.1Å; E118-K120 PolarHBondContact O-N 2.63Å; E118-I121 VanDerWaalsContact O-CB 3.3Å; E118-I121 WeakPolarHBondContact O-CB 3.49Å; E118-I121 PolarHBondContact O-N 2.69Å
119S76.5Confident85.8Confident73 Ų7377.5 Ų77.551%0.5139%0.385SS..THydrogen-bonded Turntrans-67.6-24.6177.574.40000112.7I115 D116 I121I115-S119 WeakPolarHBondContact CG2-OG 3.4Å; D116-S119 PolarHBondContact O-N 2.79Å; D116-S119 PolarHBondContact O-OG 3.46Å; S119-I121 PolarHBondContact O-N 3.37Å
120K77.1Confident85.3Confident121 Ų12171.3 Ų71.353%0.52637%0.368SS..THydrogen-bonded Turntrans-74.3-13.9174.2-154.9169.9-166.3170.40112.5E95 D116 P117 E118 K122E95-K120 IonicContact OE1-NZ 2.76Å; E95-K120 PolarHBondContact OE1-NZ 3.18Å; E95-K120 IonicContact OE2-NZ 3.26Å; E95-K120 PolarHBondContact OE2-NZ 3.05Å; D116-K120 PolarHBondContact O-N 3.3Å; P117-K120 WeakPolarHBondContact O-CB 3.25Å; P117-K120 PolarHBondContact O-N 2.63Å; E118-K120 PolarHBondContact O-N 2.63Å; K120-K122 PolarHBondContact O-N 3.47Å
121I81.7Confident84.9Confident71 Ų7177.5 Ų77.536%0.36439%0.393SS..SBendtrans-79.7109.4174.6-53177.3000108.9E118 S119 R139 R141E118-I121 VanDerWaalsContact O-CB 3.3Å; E118-I121 WeakPolarHBondContact O-CB 3.49Å; E118-I121 PolarHBondContact O-N 2.69Å; S119-I121 PolarHBondContact O-N 3.37Å; I121-R139 WeakPolarHBondContact CG2-O 3.4Å; I121-R141 HydrophobicContact CB-CB 4.4Å; I121-R141 HydrophobicContact CG2-CB 4.05Å
122K83.7Confident84.9Confident162 Ų16274.7 Ų74.770%0.70437%0.374SS*.PPolyproline II helixtrans-53.2141174.7-63.4-178.7-179.5177.80111.3K120 H140 R141K120-K122 PolarHBondContact O-N 3.47Å; K122-H140 WeakPolarHBondContact O-CB 3.42Å; K122-R141 PolarHBondContact O-N 3.22Å
123D86.1Confident84.7Confident43 Ų4379.8 Ų79.823%0.2340%0.397CS..BIsolated β-bridgetrans-56.9145.8168.2-76-23.8000110.3P125 R141 T143 R145D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.39Å; D123-R141 WeakPolarHBondContact CA-O 3.23Å; D123-R141 IonicContact OD1-NH1 3.39Å; D123-R141 PolarHBondContact OD1-NH1 3.47Å; D123-R141 VanDerWaalsContact OD1-NH1 3.16Å; D123-T143 WeakPolarHBondContact OD1-CB 3.31Å; D123-T143 PolarHBondContact OD1-OG1 2.9Å; D123-R145 IonicContact OD2-CZ 3.12Å; D123-R145 IonicContact OD2-NH1 2.71Å; D123-R145 IonicContact OD2-NH2 2.68Å; D123-R145 PolarHBondContact OD2-NH2 3.01Å
124C88.5Confident84.7Confident1 Ų181.6 Ų81.61%0.00740%0.403CS..PPolyproline II helixtrans-82.3116.7-171-178.10000112.8W126 Y127 D128 C132 H140 R141 H142C124-W126 PolarHBondContact O-N 3.02Å; C124-Y127 PolarHBondContact O-N 3.37Å; C124-D128 PolarHBondContact O-N 3.14Å; C124-C132 VanDerWaalsContact SG-SG 3.65Å; C124-H140 HydrophobicContact CB-CB 3.52Å; C124-R141 WeakPolarHBondContact CB-O 3.37Å; C124-R141 PolarHBondContact N-O 3.29Å; C124-H142 VanDerWaalsContact CB-CD2 3.42Å; C124-H142 WeakPolarHBondContact CB-CD2 3.33Å
125P87.7Confident84.4Confident68 Ų6879.2 Ų79.244%0.44240%0.4SS..THydrogen-bonded Turntrans-681.3-179.2-20.834.5000115.4D123 R129D123-P125 VanDerWaalsContact O-CD 3.3Å; D123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-R129 VanDerWaalsContact O-CZ 3.3Å; P125-R129 PolarHBondContact O-NE 3.48Å; P125-R129 PolarHBondContact O-NH2 2.87Å
126W87.2Confident84.3Confident122 Ų12282.8 Ų82.846%0.46243%0.427SS..THydrogen-bonded Turntrans-100.5-40.9168.4-6391.4000111C124 R129 F131 C132C124-W126 PolarHBondContact O-N 3.02Å; W126-R129 PolarHBondContact O-N 2.88Å; W126-R129 VanDerWaalsContact O-N 3.14Å; W126-F131 CarbonylContact C-O 3.36Å; W126-F131 CarbonylContact O-C 3.24Å; W126-F131 PolarHBondContact O-N 3.47Å; W126-C132 HydrophobicContact CB-CB 4.04Å
127Y88.1Confident84.5Confident59 Ų5986.2 Ų86.223%0.23145%0.445CS..G310 helixtrans-67.4-36.3177.3-165.2-98.7000112.6C124 R129 G130 C132 H142C124-Y127 PolarHBondContact O-N 3.37Å; Y127-R129 PolarHBondContact O-N 3.28Å; Y127-G130 WeakPolarHBondContact O-CA 3.42Å; Y127-G130 PolarHBondContact O-N 2.82Å; Y127-C132 HydrophobicContact CD2-CB 4.28Å; Y127-H142 VanDerWaalsContact CB-CD2 3.46Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.43Å; Y127-H142 HydrophobicContact CD1-CB 3.88Å; Y127-H142 HydrophobicContact CD2-CB 3.94Å; Y127-H142 AromaticContact CD2-CD2 3.88Å; Y127-H142 AromaticContact CD2-CE1 3.92Å; Y127-H142 AromaticContact CD2-CG 3.57Å; Y127-H142 AromaticContact CD2-ND1 3.62Å; Y127-H142 HydrophobicContact CE1-CB 4Å; Y127-H142 HydrophobicContact CE2-CB 4.08Å; Y127-H142 HydrophobicContact CG-CB 3.85Å; Y127-H142 AromaticContact CG-CD2 3.64Å; Y127-H142 AromaticContact CG-CG 3.63Å
128D85.3Confident85Confident41 Ų4184.1 Ų84.122%0.21943%0.432CS..G310 helixtrans-66.4-14.9173.8-75-16.1000113.4C124 G130 R145C124-D128 PolarHBondContact O-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.33Å; D128-R145 VanDerWaalsContact CG-NH1 3.26Å; D128-R145 IonicContact OD1-CZ 3.71Å; D128-R145 IonicContact OD1-NH1 2.67Å; D128-R145 PolarHBondContact OD1-NH1 2.7Å; D128-R145 IonicContact OD2-NH1 2.68Å; D128-R145 PolarHBondContact OD2-NH1 2.64Å
129R80.9Confident85.5Confident58 Ų5886.5 Ų86.522%0.21943%0.434CS..G310 helixtrans-93.413.1168-75.1-178.5-71.6147.1-1113.1P125 W126 Y127 R168P125-R129 VanDerWaalsContact O-CZ 3.3Å; P125-R129 PolarHBondContact O-NE 3.48Å; P125-R129 PolarHBondContact O-NH2 2.87Å; W126-R129 PolarHBondContact O-N 2.88Å; W126-R129 VanDerWaalsContact O-N 3.14Å; Y127-R129 PolarHBondContact O-N 3.28Å; R129-R168 WeakPolarHBondContact CD-O 3.48Å; R129-R168 WeakPolarHBondContact CG-O 3.36Å
130G81.3Confident86.1Confident45 Ų4586.2 Ų86.246%0.46442%0.424SS..THydrogen-bonded Turntrans95.3-21.3175.800000115.4Y127 D128Y127-G130 WeakPolarHBondContact O-CA 3.42Å; Y127-G130 PolarHBondContact O-N 2.82Å; D128-G130 VanDerWaalsContact C-N 3.33Å
131F84.9Confident86.5Confident155 Ų15586.1 Ų86.168%0.6842%0.421SS*.  trans-149.9126.7-178.7-177.6-100.3000114.2W126 K133W126-F131 CarbonylContact C-O 3.36Å; W126-F131 CarbonylContact O-C 3.24Å; W126-F131 PolarHBondContact O-N 3.47Å; F131-K133 HydrophobicContact CE1-CB 4.23Å
132C89.6Confident86.9Confident5 Ų585.3 Ų85.33%0.03442%0.415CS..  trans-112.1120.3170.4178.70000111.1C124 W126 Y127 H134 G135 H142C124-C132 VanDerWaalsContact SG-SG 3.65Å; W126-C132 HydrophobicContact CB-CB 4.04Å; Y127-C132 HydrophobicContact CD2-CB 4.28Å; C132-H134 PolarHBondContact O-N 3.24Å; C132-G135 PolarHBondContact O-N 3.39Å; C132-H142 WeakPolarHBondContact CB-CE1 3.29Å; C132-H142 VanDerWaalsContact CB-NE2 3.28Å; C132-H142 WeakPolarHBondContact CB-NE2 3.47Å; C132-H142 VanDerWaalsContact SG-CE1 3.6Å; C132-H142 PolarHBondContact SG-NE2 3.21Å
133K90.9Very high87.1Confident151 Ų15178.9 Ų78.966%0.65739%0.39SS*.THydrogen-bonded Turntrans-56.2-17.5178.369-177.2-177.21800115.6F131F131-K133 HydrophobicContact CE1-CB 4.23Å
134H90.4Very high87.1Confident98 Ų9887.4 Ų87.445%0.45442%0.419SS..THydrogen-bonded Turntrans-87.7-7.2178.9-61.3-79.7000113.3C132 L137 C138C132-H134 PolarHBondContact O-N 3.24Å; H134-L137 PolarHBondContact O-N 2.91Å; H134-C138 HydrophobicContact CB-CB 3.84Å
135G86.9Confident87Confident30 Ų3092.1 Ų92.131%0.30944%0.436SS..G310 helixtrans55.3-136.5178.100000112.5C132 L137 H142C132-G135 PolarHBondContact O-N 3.39Å; G135-L137 PolarHBondContact O-N 2.84Å; G135-H142 PolarHBondContact O-CE1 3.34Å; G135-H142 PolarHBondContact O-ND1 3.06Å
136P86.8Confident87.1Confident131 Ų13193.9 Ų93.985%0.85145%0.446SS*.G310 helixtrans-71.1-8.5177.131.3-35.5000113.9
137L88Confident87.1Confident156 Ų15691.1 Ų91.182%0.81744%0.439SS*.G310 helixtrans-96.822.9-179-57.3177.4000112.7H134 G135H134-L137 PolarHBondContact O-N 2.91Å; G135-L137 PolarHBondContact O-N 2.84Å
138C88.2Confident87.2Confident27 Ų2788.4 Ų88.418%0.18243%0.429CS..  trans-78.2137.6177.1-1600000111.8H134 H140 H142H134-C138 HydrophobicContact CB-CB 3.84Å; C138-H140 PolarHBondContact O-N 3.25Å; C138-H142 VanDerWaalsContact CB-CE1 3.44Å; C138-H142 WeakPolarHBondContact CB-CE1 3.46Å; C138-H142 VanDerWaalsContact CB-NE2 3.27Å; C138-H142 WeakPolarHBondContact CB-NE2 3.5Å
139R86.6Confident87.5Confident200 Ų20091.3 Ų91.376%0.75545%0.448SS*.SBendtrans-63.9-20.3169.6172.3176.5164.6-154.8-10.4113.2I121I121-R139 WeakPolarHBondContact CG2-O 3.4Å
140H87.6Confident88Confident66 Ų6692.6 Ų92.631%0.30646%0.459SS..SBendtrans-106149.9-177.8-63.4136.3000111.6K122 C124 C138 H142K122-H140 WeakPolarHBondContact O-CB 3.42Å; C124-H140 HydrophobicContact CB-CB 3.52Å; C138-H140 PolarHBondContact O-N 3.25Å; H140-H142 PolarHBondContact O-CD2 3.21Å
141R87.1Confident88.4Confident120 Ų12094.1 Ų94.145%0.45345%0.451SS..BIsolated β-bridgetrans-68.7133.2-172.7-175.7174.2174.5-1148.2111.1I121 K122 D123 C124 T143I121-R141 HydrophobicContact CB-CB 4.4Å; I121-R141 HydrophobicContact CG2-CB 4.05Å; K122-R141 PolarHBondContact O-N 3.22Å; D123-R141 WeakPolarHBondContact CA-O 3.23Å; D123-R141 IonicContact OD1-NH1 3.39Å; D123-R141 PolarHBondContact OD1-NH1 3.47Å; D123-R141 VanDerWaalsContact OD1-NH1 3.16Å; C124-R141 WeakPolarHBondContact CB-O 3.37Å; C124-R141 PolarHBondContact N-O 3.29Å; R141-T143 PolarHBondContact NH1-OG1 2.67Å
142H89.9Confident88.5Confident53 Ų5392.2 Ų92.225%0.24545%0.448CS..  trans-102.177.2-180-75.6-175.7000110.6C124 Y127 C132 G135 C138 H140 R144C124-H142 VanDerWaalsContact CB-CD2 3.42Å; C124-H142 WeakPolarHBondContact CB-CD2 3.33Å; Y127-H142 VanDerWaalsContact CB-CD2 3.46Å; Y127-H142 WeakPolarHBondContact CB-CD2 3.43Å; Y127-H142 HydrophobicContact CD1-CB 3.88Å; Y127-H142 HydrophobicContact CD2-CB 3.94Å; Y127-H142 AromaticContact CD2-CD2 3.88Å; Y127-H142 AromaticContact CD2-CE1 3.92Å; Y127-H142 AromaticContact CD2-CG 3.57Å; Y127-H142 AromaticContact CD2-ND1 3.62Å; Y127-H142 HydrophobicContact CE1-CB 4Å; Y127-H142 HydrophobicContact CE2-CB 4.08Å; Y127-H142 HydrophobicContact CG-CB 3.85Å; Y127-H142 AromaticContact CG-CD2 3.64Å; Y127-H142 AromaticContact CG-CG 3.63Å; C132-H142 WeakPolarHBondContact CB-CE1 3.29Å; C132-H142 VanDerWaalsContact CB-NE2 3.28Å; C132-H142 WeakPolarHBondContact CB-NE2 3.47Å; C132-H142 VanDerWaalsContact SG-CE1 3.6Å; C132-H142 PolarHBondContact SG-NE2 3.21Å; G135-H142 PolarHBondContact O-CE1 3.34Å; G135-H142 PolarHBondContact O-ND1 3.06Å; C138-H142 VanDerWaalsContact CB-CE1 3.44Å; C138-H142 WeakPolarHBondContact CB-CE1 3.46Å; C138-H142 VanDerWaalsContact CB-NE2 3.27Å; C138-H142 WeakPolarHBondContact CB-NE2 3.5Å; H140-H142 PolarHBondContact O-CD2 3.21Å; H142-R144 PolarHBondContact O-N 2.64Å; H142-R144 VanDerWaalsContact O-N 3.13Å
143T87Confident88.5Confident28 Ų2898 Ų9817%0.17248%0.483CS..  trans-76.397.7-178.7-61.10000110.7D123 R141 R145D123-T143 WeakPolarHBondContact OD1-CB 3.31Å; D123-T143 PolarHBondContact OD1-OG1 2.9Å; R141-T143 PolarHBondContact NH1-OG1 2.67Å; T143-R145 HydrophobicContact CG2-CG 4.22Å; T143-R145 PolarHBondContact O-N 3.22Å; T143-R145 VanDerWaalsContact O-N 3.17Å
144R86.7Confident88.3Confident222 Ų22293.8 Ų93.884%0.83848%0.482SS*.  trans-62.8114.5177.1-177.7-175.7-73166.7-4.2110.5H142H142-R144 PolarHBondContact O-N 2.64Å; H142-R144 VanDerWaalsContact O-N 3.13Å
145R86.2Confident88.2Confident100 Ų10096.6 Ų96.638%0.37749%0.493SS..  trans-119.3147.4175.3-65161.6175.4138.5-0109.5D123 D128 T143 M165D123-R145 IonicContact OD2-CZ 3.12Å; D123-R145 IonicContact OD2-NH1 2.71Å; D123-R145 IonicContact OD2-NH2 2.68Å; D123-R145 PolarHBondContact OD2-NH2 3.01Å; D128-R145 VanDerWaalsContact CG-NH1 3.26Å; D128-R145 IonicContact OD1-CZ 3.71Å; D128-R145 IonicContact OD1-NH1 2.67Å; D128-R145 PolarHBondContact OD1-NH1 2.7Å; D128-R145 IonicContact OD2-NH1 2.68Å; D128-R145 PolarHBondContact OD2-NH1 2.64Å; T143-R145 HydrophobicContact CG2-CG 4.22Å; T143-R145 PolarHBondContact O-N 3.22Å; T143-R145 VanDerWaalsContact O-N 3.17Å; R145-M165 HydrophobicContact CB-CB 3.89Å; R145-M165 HydrophobicContact CB-CE 4Å; R145-M165 HydrophobicContact CB-CG 4.43Å; R145-M165 HydrophobicContact CB-SD 3.77Å; R145-M165 WeakPolarHBondContact CD-SD 3.44Å; R145-M165 HydrophobicContact CG-SD 4.19Å
146V88.6Confident88.5Confident105 Ų10595.6 Ų95.664%0.63648%0.481SS*.PPolyproline II helixtrans-77.5126.6175.2179.40000109F164 M165V146-F164 HydrophobicContact CB-CD1 4.14Å; V146-F164 HydrophobicContact CG1-CD1 3.83Å; V146-F164 HydrophobicContact CG1-CE1 4.08Å; V146-M165 PolarHBondContact O-N 3.46Å
147I87.9Confident88.8Confident63 Ų6394 Ų9432%0.32347%0.471SS..BIsolated β-bridgetrans-77.4139.8179.8-63.1173.9000110V149 L152 M165 P167I147-V149 PolarHBondContact O-N 2.72Å; I147-L152 HydrophobicContact CG2-CB 4.44Å; I147-M165 WeakPolarHBondContact CA-O 3.17Å; I147-M165 HydrophobicContact CG1-CE 4.12Å; I147-P167 HydrophobicContact CD1-CG 4.24Å; I147-P167 HydrophobicContact CG1-CG 4.23Å; I147-P167 HydrophobicContact CG2-CG 4.06Å
148C90.9Very high88.9Confident2 Ų289.9 Ų89.91%0.01445%0.447CS..PPolyproline II helixtrans-70.8116.9173.9-173.20000111N150 Y151 L152 C162 F164 M165 H166C148-N150 VanDerWaalsContact C-N 3.32Å; C148-N150 PolarHBondContact O-N 3.14Å; C148-Y151 PolarHBondContact O-N 3.49Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; C148-C162 VanDerWaalsContact SG-SG 3.64Å; C148-F164 HydrophobicContact CB-CB 3.56Å; C148-M165 PolarHBondContact N-O 3.39Å; C148-H166 WeakPolarHBondContact CB-CD2 3.26Å; C148-H166 WeakPolarHBondContact CB-NE2 3.46Å
149V91.6Very high88.8Confident102 Ų10289.7 Ų89.762%0.61845%0.45SS*.Hα-helixtrans-60.4-42.1177.8-177.40000111.1I147 Y151 L152 V153I147-V149 PolarHBondContact O-N 2.72Å; V149-Y151 PolarHBondContact O-N 3.39Å; V149-L152 WeakPolarHBondContact O-CB 3.37Å; V149-L152 PolarHBondContact O-N 3.35Å; V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.08Å
150N91.4Very high88.8Confident86 Ų8687 Ų8746%0.4646%0.459SS..Hα-helixtrans-62.7-44.7179.9-60.1-4.6000111.4C148 L152 V153 G154 F155 C156C148-N150 VanDerWaalsContact C-N 3.32Å; C148-N150 PolarHBondContact O-N 3.14Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.69Å; N150-V153 PolarHBondContact O-N 3.17Å; N150-G154 PolarHBondContact O-N 3.35Å; N150-F155 CarbonylContact C-O 3.54Å; N150-F155 WeakPolarHBondContact CB-O 3.3Å; N150-F155 CarbonylContact O-C 3.33Å; N150-F155 PolarHBondContact O-N 3.1Å; N150-F155 VanDerWaalsContact O-N 3.12Å; N150-C156 HydrophobicContact CB-CB 4.21Å
151Y89.3Confident88.9Confident77 Ų7789 Ų8930%0.30248%0.48SS..Hα-helixtrans-64.6-36.8175.2-172.5-98.1000112.6C148 V149 V153 G154 C156 H166 F169C148-Y151 PolarHBondContact O-N 3.49Å; V149-Y151 PolarHBondContact O-N 3.39Å; Y151-V153 VanDerWaalsContact C-N 3.26Å; Y151-V153 PolarHBondContact O-N 3.02Å; Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.96Å; Y151-C156 HydrophobicContact CD2-CB 4.5Å; Y151-H166 WeakPolarHBondContact CB-CD2 3.44Å; Y151-H166 HydrophobicContact CD1-CB 3.76Å; Y151-H166 AromaticContact CD1-CG 3.95Å; Y151-H166 HydrophobicContact CD2-CB 3.94Å; Y151-H166 AromaticContact CD2-CD2 3.87Å; Y151-H166 AromaticContact CD2-CE1 3.79Å; Y151-H166 AromaticContact CD2-CG 3.51Å; Y151-H166 AromaticContact CD2-ND1 3.47Å; Y151-H166 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H166 HydrophobicContact CE1-CB 3.76Å; Y151-H166 HydrophobicContact CE2-CB 3.96Å; Y151-H166 AromaticContact CE2-CG 3.96Å; Y151-H166 AromaticContact CE2-ND1 3.9Å; Y151-H166 HydrophobicContact CG-CB 3.85Å; Y151-H166 AromaticContact CG-CD2 3.51Å; Y151-H166 AromaticContact CG-CG 3.51Å; Y151-H166 AromaticContact CG-ND1 3.94Å; Y151-H166 AromaticContact CG-NE2 3.93Å; Y151-F169 HydrophobicContact CE1-CE2 4.22Å
152L86.7Confident89Confident114 Ų11484.2 Ų84.260%0.59747%0.465SS*.Hα-helixtrans-66-28.8175.9-172.564.3000112.6I147 C148 V149 N150 G154I147-L152 HydrophobicContact CG2-CB 4.44Å; C148-L152 WeakPolarHBondContact O-CB 3.26Å; C148-L152 PolarHBondContact O-N 3.2Å; V149-L152 WeakPolarHBondContact O-CB 3.37Å; V149-L152 PolarHBondContact O-N 3.35Å; N150-L152 VanDerWaalsContact C-N 3.33Å; N150-L152 PolarHBondContact O-N 2.69Å; L152-G154 VanDerWaalsContact C-N 3.25Å
153V89Confident89Confident128 Ų12888.8 Ų88.878%0.77648%0.484SS*.THydrogen-bonded Turntrans-78.9-8.5170.1175.90000112.2V149 N150 Y151V149-V153 WeakPolarHBondContact O-CG2 3.39Å; V149-V153 PolarHBondContact O-N 3.08Å; N150-V153 PolarHBondContact O-N 3.17Å; Y151-V153 VanDerWaalsContact C-N 3.26Å; Y151-V153 PolarHBondContact O-N 3.02Å
154G87.4Confident89.2Confident62 Ų6291.6 Ų91.664%0.63949%0.494SS*.THydrogen-bonded Turntrans118.2-14.1169.900000115.3N150 Y151 L152N150-G154 PolarHBondContact O-N 3.35Å; Y151-G154 WeakPolarHBondContact O-CA 3.47Å; Y151-G154 PolarHBondContact O-N 2.96Å; L152-G154 VanDerWaalsContact C-N 3.25Å
155F89.4Confident89.2Confident156 Ų15682.8 Ų82.868%0.68446%0.463SS*.  trans-150.9127-178.6178-99000112.5N150 P157N150-F155 CarbonylContact C-O 3.54Å; N150-F155 WeakPolarHBondContact CB-O 3.3Å; N150-F155 CarbonylContact O-C 3.33Å; N150-F155 PolarHBondContact O-N 3.1Å; N150-F155 VanDerWaalsContact O-N 3.12Å; F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 HydrophobicContact CZ-CB 4.48Å
156C92Very high89.3Confident9 Ų980.1 Ų80.16%0.06145%0.454CS..  trans-117122.3171.9-178.30000110.4N150 Y151 E158 G159 H166N150-C156 HydrophobicContact CB-CB 4.21Å; Y151-C156 HydrophobicContact CD2-CB 4.5Å; C156-E158 PolarHBondContact O-N 2.74Å; C156-G159 PolarHBondContact O-N 3.46Å; C156-G159 VanDerWaalsContact O-N 3.14Å; C156-H166 VanDerWaalsContact CB-CE1 3.47Å; C156-H166 WeakPolarHBondContact CB-CE1 3.39Å; C156-H166 WeakPolarHBondContact CB-NE2 3.47Å
157P92.6Very high89Confident97 Ų9775.3 Ų75.363%0.6343%0.426SS*.THydrogen-bonded Turntrans-68.4-20179.728.3-35.2000113.4F155 G159F155-P157 HydrophobicContact CE1-CB 4.03Å; F155-P157 HydrophobicContact CZ-CB 4.48Å; P157-G159 PolarHBondContact O-N 3.35Å
158E90.6Very high88.5Confident70 Ų7080.8 Ų80.833%0.32744%0.442SS..THydrogen-bonded Turntrans-74.2-7.1174.6-58.6-179.4-173.800112.8C156 S161 C162 K163C156-E158 PolarHBondContact O-N 2.74Å; E158-S161 CarbonylContact O-C 3.38Å; E158-S161 PolarHBondContact O-N 3.33Å; E158-S161 PolarHBondContact O-OG 3.36Å; E158-C162 HydrophobicContact CB-CB 3.77Å; E158-C162 PolarHBondContact O-N 2.95Å; E158-C162 VanDerWaalsContact OE2-CA 3.3Å; E158-C162 WeakPolarHBondContact OE2-CA 3.3Å; E158-C162 PolarHBondContact OE2-SG 3.06Å; E158-K163 IonicContact OE1-NZ 3.81Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 PolarHBondContact OE2-N 2.71Å; E158-K163 VanDerWaalsContact OE2-N 3.14Å; E158-K163 IonicContact OE2-NZ 2.62Å
159G86.2Confident87.5Confident24 Ų2487.1 Ų87.125%0.24747%0.47CS..G310 helixtrans60.5-151.817500000114.3C156 P157 S161 C162 H166C156-G159 PolarHBondContact O-N 3.46Å; C156-G159 VanDerWaalsContact O-N 3.14Å; P157-G159 PolarHBondContact O-N 3.35Å; G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.17Å; G159-C162 WeakPolarHBondContact O-CB 3.37Å; G159-C162 PolarHBondContact O-N 2.61Å; G159-H166 PolarHBondContact O-CE1 2.94Å; G159-H166 PolarHBondContact O-ND1 3.28Å
160P86.3Confident86.4Confident144 Ų14488.1 Ų88.194%0.93547%0.468SS*.G310 helixtrans-60.7-19.3174.4-2334.6000114.1C162P160-C162 VanDerWaalsContact C-N 3.3Å; P160-C162 PolarHBondContact O-N 3.16Å
161S89.2Confident84.9Confident107 Ų10789.8 Ų89.875%0.74848%0.476SS*.G310 helixtrans-83.48177.433.20000114.5E158 G159E158-S161 CarbonylContact O-C 3.38Å; E158-S161 PolarHBondContact O-N 3.33Å; E158-S161 PolarHBondContact O-OG 3.36Å; G159-S161 PolarHBondContact O-N 3.44Å; G159-S161 VanDerWaalsContact O-N 3.17Å
162C90.4Very high83.4Confident19 Ų1990.1 Ų90.113%0.12849%0.488CS..  trans-61.2139.6-179.5-172.30000113C148 E158 G159 P160 F164 H166C148-C162 VanDerWaalsContact SG-SG 3.64Å; E158-C162 HydrophobicContact CB-CB 3.77Å; E158-C162 PolarHBondContact O-N 2.95Å; E158-C162 VanDerWaalsContact OE2-CA 3.3Å; E158-C162 WeakPolarHBondContact OE2-CA 3.3Å; E158-C162 PolarHBondContact OE2-SG 3.06Å; G159-C162 WeakPolarHBondContact O-CB 3.37Å; G159-C162 PolarHBondContact O-N 2.61Å; P160-C162 VanDerWaalsContact C-N 3.3Å; P160-C162 PolarHBondContact O-N 3.16Å; C162-F164 PolarHBondContact O-N 3.45Å; C162-F164 PolarHBondContact SG-N 3.19Å; C162-F164 VanDerWaalsContact SG-N 3.45Å; C162-H166 WeakPolarHBondContact CB-CE1 3.47Å; C162-H166 VanDerWaalsContact CB-NE2 3.26Å; C162-H166 WeakPolarHBondContact CB-NE2 3.45Å
163K90.6Very high81.5Confident150 Ų15093.8 Ų93.865%0.65250%0.504SS*.SBendtrans-67.7-9.9175.366.3-175.7173-93.30114.6E158E158-K163 IonicContact OE1-NZ 3.81Å; E158-K163 PolarHBondContact OE1-NZ 2.8Å; E158-K163 PolarHBondContact OE2-N 2.71Å; E158-K163 VanDerWaalsContact OE2-N 3.14Å; E158-K163 IonicContact OE2-NZ 2.62Å
164F89.6Confident79.2Confident87 Ų8791 Ų9138%0.38250%0.501SS..SBendtrans-117.3150.2-179.9-60.5-60.6000110.5V146 C148 C162 H166V146-F164 HydrophobicContact CB-CD1 4.14Å; V146-F164 HydrophobicContact CG1-CD1 3.83Å; V146-F164 HydrophobicContact CG1-CE1 4.08Å; C148-F164 HydrophobicContact CB-CB 3.56Å; C162-F164 PolarHBondContact O-N 3.45Å; C162-F164 PolarHBondContact SG-N 3.19Å; C162-F164 VanDerWaalsContact SG-N 3.45Å; F164-H166 PolarHBondContact O-CD2 3.02Å; F164-H166 PolarHBondContact O-N 3.3Å
165M87.3Confident76.9Confident36 Ų3693 Ų9318%0.17750%0.501CS..BIsolated β-bridgetrans-66.7133.1-176.1-178168.772.200112.3R145 V146 I147 C148 P167R145-M165 HydrophobicContact CB-CB 3.89Å; R145-M165 HydrophobicContact CB-CE 4Å; R145-M165 HydrophobicContact CB-CG 4.43Å; R145-M165 HydrophobicContact CB-SD 3.77Å; R145-M165 WeakPolarHBondContact CD-SD 3.44Å; R145-M165 HydrophobicContact CG-SD 4.19Å; V146-M165 PolarHBondContact O-N 3.46Å; I147-M165 WeakPolarHBondContact CA-O 3.17Å; I147-M165 HydrophobicContact CG1-CE 4.12Å; C148-M165 PolarHBondContact N-O 3.39Å; M165-P167 WeakPolarHBondContact O-CD 3.21Å
166H88.7Confident74.8Confident44 Ų4492.9 Ų92.920%0.20451%0.513CS..  trans-101.9104.4169.2-67.7-178.9000108.9C148 Y151 C156 G159 C162 F164 R168C148-H166 WeakPolarHBondContact CB-CD2 3.26Å; C148-H166 WeakPolarHBondContact CB-NE2 3.46Å; Y151-H166 WeakPolarHBondContact CB-CD2 3.44Å; Y151-H166 HydrophobicContact CD1-CB 3.76Å; Y151-H166 AromaticContact CD1-CG 3.95Å; Y151-H166 HydrophobicContact CD2-CB 3.94Å; Y151-H166 AromaticContact CD2-CD2 3.87Å; Y151-H166 AromaticContact CD2-CE1 3.79Å; Y151-H166 AromaticContact CD2-CG 3.51Å; Y151-H166 AromaticContact CD2-ND1 3.47Å; Y151-H166 WeakPolarHBondContact CD2-ND1 3.47Å; Y151-H166 HydrophobicContact CE1-CB 3.76Å; Y151-H166 HydrophobicContact CE2-CB 3.96Å; Y151-H166 AromaticContact CE2-CG 3.96Å; Y151-H166 AromaticContact CE2-ND1 3.9Å; Y151-H166 HydrophobicContact CG-CB 3.85Å; Y151-H166 AromaticContact CG-CD2 3.51Å; Y151-H166 AromaticContact CG-CG 3.51Å; Y151-H166 AromaticContact CG-ND1 3.94Å; Y151-H166 AromaticContact CG-NE2 3.93Å; C156-H166 VanDerWaalsContact CB-CE1 3.47Å; C156-H166 WeakPolarHBondContact CB-CE1 3.39Å; C156-H166 WeakPolarHBondContact CB-NE2 3.47Å; G159-H166 PolarHBondContact O-CE1 2.94Å; G159-H166 PolarHBondContact O-ND1 3.28Å; C162-H166 WeakPolarHBondContact CB-CE1 3.47Å; C162-H166 VanDerWaalsContact CB-NE2 3.26Å; C162-H166 WeakPolarHBondContact CB-NE2 3.45Å; F164-H166 PolarHBondContact O-CD2 3.02Å; F164-H166 PolarHBondContact O-N 3.3Å; H166-R168 PolarHBondContact O-N 3.14Å
167P82.1Confident72.6Confident5 Ų5100 Ų1003%0.03255%0.546CS..  trans-67.2123.9-178.1-20.433.8000111.3I147 M165 F169I147-P167 HydrophobicContact CD1-CG 4.24Å; I147-P167 HydrophobicContact CG1-CG 4.23Å; I147-P167 HydrophobicContact CG2-CG 4.06Å; M165-P167 WeakPolarHBondContact O-CD 3.21Å; P167-F169 HydrophobicContact CB-CE1 4.39Å; P167-F169 HydrophobicContact CB-CE2 4.49Å; P167-F169 HydrophobicContact CB-CZ 4.12Å; P167-F169 WeakPolarHBondContact O-CD2 3.41Å; P167-F169 WeakPolarHBondContact O-CE2 3.48Å; P167-F169 PolarHBondContact O-N 3.26Å
168R76.7Confident70.2Confident178 Ų178103.1 Ų103.167%0.67255%0.552SS**  trans-83.6101.5179.7-170174-172.61604.7110.4R129 H166 E170R129-R168 WeakPolarHBondContact CD-O 3.48Å; R129-R168 WeakPolarHBondContact CG-O 3.36Å; H166-R168 PolarHBondContact O-N 3.14Å; R168-E170 VanDerWaalsContact C-N 3.27Å; R168-E170 HydrophobicContact CG-CB 4.26Å; R168-E170 IonicContact CZ-OE2 2.67Å; R168-E170 IonicContact NE-OE2 2.63Å; R168-E170 PolarHBondContact NE-OE2 3.17Å; R168-E170 IonicContact NH2-OE2 2.64Å; R168-E170 PolarHBondContact NH2-OE2 2.9Å; R168-E170 PolarHBondContact O-N 3.13Å
169F70.1Confident67.8Low134 Ų134105.1 Ų105.159%0.58857%0.571SS**  trans-71.2-17.7-176.8-60.8-74.2000114.6Y151 P167Y151-F169 HydrophobicContact CE1-CE2 4.22Å; P167-F169 HydrophobicContact CB-CE1 4.39Å; P167-F169 HydrophobicContact CB-CE2 4.49Å; P167-F169 HydrophobicContact CB-CZ 4.12Å; P167-F169 WeakPolarHBondContact O-CD2 3.41Å; P167-F169 WeakPolarHBondContact O-CE2 3.48Å; P167-F169 PolarHBondContact O-N 3.26Å
170E69.9Low65.6Low124 Ų124110.1 Ų110.158%0.57960%0.599SS**SBendtrans-60.4137176.8-61.2176.3145.700112.1R168R168-E170 VanDerWaalsContact C-N 3.27Å; R168-E170 HydrophobicContact CG-CB 4.26Å; R168-E170 IonicContact CZ-OE2 2.67Å; R168-E170 IonicContact NE-OE2 2.63Å; R168-E170 PolarHBondContact NE-OE2 3.17Å; R168-E170 IonicContact NH2-OE2 2.64Å; R168-E170 PolarHBondContact NH2-OE2 2.9Å; R168-E170 PolarHBondContact O-N 3.13Å
171L58.4Low63.7Low120 Ų120110.3 Ų110.363%0.62859%0.592SS**  trans-78.8134.1172.2-66173.9000110M173L171-M173 PolarHBondContact O-N 3.33Å
172P57.7Low61.4Low85 Ų85110.7 Ų110.755%0.55259%0.591SS**  trans-61.9105.7165.6-20.933000110G174P172-G174 PolarHBondContact O-N 2.76Å
173M47.3Very low59.1Low190 Ų190118.5 Ų118.594%0.93663%0.626SS**SBendtrans-72.896.5175.9-69.6-177.168.500109.8L171L171-M173 PolarHBondContact O-N 3.33Å
174G40.8Very low56.7Low70 Ų70120 Ų12072%0.72264%0.635SS**  trans81.359.1164.500000116.7P172P172-G174 PolarHBondContact O-N 2.76Å
175T39.5Very low54.2Low105 Ų105122.1 Ų122.164%0.64466%0.655SS**  trans-83.8132.1158.1540000110.6E177T175-E177 PolarHBondContact O-N 3.46Å
176T45.8Very low51.9Low152 Ų152128.9 Ų128.993%0.93369%0.686SS**THydrogen-bonded Turntrans-74.232.6-161.442.70000117.4
177E45.8Very low49.7Very low160 Ų160132.2 Ų132.275%0.74871%0.712SS**THydrogen-bonded Turntrans-116.113.4178.5-70.1-166.996.600114.4T175T175-E177 PolarHBondContact O-N 3.46Å
178Q42.3Very low47.6Very low162 Ų162138.1 Ų138.176%0.75775%0.751SS**SBendtrans-96.4127.8170.3-70.8-160.9-32.300111.8
179P39.1Very low45.4Very low111 Ų111134.5 Ų134.572%0.72176%0.758SS**PPolyproline II helixtrans-58.6146.4164.8-21.233000110.6L181P179-L181 PolarHBondContact O-N 2.91Å; P179-L181 VanDerWaalsContact O-N 3.11Å
180P39.6Very low44.1Very low130 Ų130138.1 Ų138.184%0.84477%0.774SS**PPolyproline II helixtrans-59.7117.6177.2-22.733.5000111.2
181L47.6Very low42.6Very low148 Ų148141.5 Ų141.578%0.77579%0.79SS**PPolyproline II helixtrans-64.4133.5162.7-78.3164.5000107.9P179 Q183P179-L181 PolarHBondContact O-N 2.91Å; P179-L181 VanDerWaalsContact O-N 3.11Å; L181-Q183 PolarHBondContact O-N 3.35Å
182P39.7Very low41.6Very low114 Ų114141.4 Ų141.474%0.7480%0.799SS**  trans-65.2112.5-177.225.8-33.4000109.8Q184P182-Q184 PolarHBondContact O-N 3.42Å; P182-Q184 VanDerWaalsContact O-N 3.14Å
183Q43.3Very low40.6Very low183 Ų183144 Ų14486%0.85581%0.808SS**  trans-63.4115170.9-76.1-176.4-18.700108.6L181 T185L181-Q183 PolarHBondContact O-N 3.35Å; Q183-T185 PolarHBondContact O-N 2.98Å; Q183-T185 VanDerWaalsContact O-N 3.11Å
184Q39.5Very low40.4Very low182 Ų182142.1 Ų142.185%0.8580%0.802SS**  trans-72.6102.9171.6-69.1-177.4-3.900108.5P182 Q186P182-Q184 PolarHBondContact O-N 3.42Å; P182-Q184 VanDerWaalsContact O-N 3.14Å; Q184-Q186 PolarHBondContact O-N 3.34Å
185T36.9Very low40.4Very low131 Ų131144.2 Ų144.280%0.80480%0.803SS**  trans-62.4103.4178.1-43.90000110.2Q183Q183-T185 PolarHBondContact O-N 2.98Å; Q183-T185 VanDerWaalsContact O-N 3.11Å
186Q39.6Very low40.5Very low178 Ų178144.6 Ų144.683%0.83281%0.807SS**PPolyproline II helixtrans-76.3125.8171.9-66.4-173.80.900109.5Q184Q184-Q186 PolarHBondContact O-N 3.34Å
187P42.3Very low40.2Very low114 Ų114145.4 Ų145.474%0.7481%0.805SS**PPolyproline II helixtrans-71.6151.6171.930.6-34000110.7
188P37.2Very low40.1Very low130 Ų130144.9 Ų144.984%0.84480%0.803SS**PPolyproline II helixtrans-68.9147.4-174.928.2-35.2000112.7
189A32.2Very low39.7Very low101 Ų101147.5 Ų147.584%0.83581%0.806SS**PPolyproline II helixtrans-69.3148-170.500000114.6
190K41Very low39.8Very low210 Ų210147.2 Ų147.291%0.91381%0.806SS**  trans-127.2145.4152.9-76.5-169174.5-176.10109.5
191Q38.5Very low39.7Very low195 Ų195146.1 Ų146.191%0.91180%0.802SS**  trans-88.4137.9-169.2-60.3150.4-33.900111.7
192S37.6Very low39.5Very low119 Ų119144.6 Ų144.683%0.83280%0.804SS**  trans-167.6148.9139.9-162.80000111.2
193N37.5Very low39.3Very low138 Ų138146.8 Ų146.874%0.73881%0.808SS**  trans-78.6165-157.8-59.3-34.9000117.2
194N42.9Very low39.5Very low151 Ų151145.3 Ų145.381%0.80780%0.804SS**  trans93.8147.5148.6-66.1-14000120.8
195P41.4Very low39.4Very low115 Ų115144.7 Ų144.775%0.74780%0.802SS**  trans-133.3-142.4-141.836.8-10.8000114.1
196P40.8Very low39.1Very low112 Ų112146.2 Ų146.273%0.72780%0.804SS**  -129.3144.3-100.539.6-22.1000117.4
197L39.3Very low39Very low169 Ų169144.4 Ų144.489%0.88581%0.806SS**  trans-159.8153.4163.1-76105.5000108.1
198Q43.8Very low38.7Very low150 Ų150144.4 Ų144.470%0.70181%0.808SS**  cis-140.9150.4-17.9-91.6-137.187.500106.4
199R34.3Very low39Very low216 Ų216147.6 Ų147.682%0.81581%0.812SS**  72.913067.4-146.7-175.1-165-139.72.5115.6
200S41.7Very low39.2Very low105 Ų105149.8 Ų149.873%0.73481%0.809SS**  trans78.6154.4173.8-52.40000116.7
201S37.5Very low39.3Very low107 Ų107144 Ų14475%0.74880%0.795SS**  cis174.1168.6-37.2-980000108.4
202S43.5Very low39.5Very low117 Ų117140.3 Ų140.382%0.81879%0.791SS**  trans78.8130.9177.2-47.10000114.9
203L34.8Very low39.5Very low159 Ų159140.2 Ų140.283%0.83279%0.788SS**  cis958523.5-168.189.4000115
204I47.2Very low39.3Very low152 Ų152139.8 Ų139.878%0.77979%0.785SS**  trans-142.799.9159.2-64.1-173.2000105.7
205Q38.3Very low39.2Very low170 Ų170141.5 Ų141.579%0.79479%0.789SS**  75.2135.893.7-72178.5-36.300115.7
206L29.5Very low38.9Very low162 Ų162144.3 Ų144.385%0.84879%0.792SS**  trans-89.8152.9172.5-63.677.3000110
207T38.7Very low38.7Very low141 Ų141150.8 Ų150.887%0.86580%0.802SS**  trans-129.5146.6155.456.20000109.8
208S34.3Very low38.8Very low113 Ų113148.7 Ų148.779%0.7980%0.796SS**  trans-123.3122.3-177.8-64.60000110.1
209Q44.8Very low38.7Very low197 Ų197147.4 Ų147.492%0.92180%0.801SS**  trans-146.5147.7160.8-58-175.812.100108.1
210N36.4Very low38.9Very low147 Ų147145.2 Ų145.279%0.78680%0.8SS**  cis172169.9-27.2-174.715.3000103.6
211S41.8Very low38.8Very low89 Ų89147.1 Ų147.162%0.62281%0.807SS**  trans82112.7160.3-49.40000120.3
212S43.5Very low38.8Very low117 Ų117148.6 Ų148.682%0.81881%0.805SS**  trans89.3150.5130.5-62.40000120.8
213P37.2Very low38.4Very low117 Ų117146.4 Ų146.476%0.7680%0.801SS**  trans-134175.3-136.643.9-28.2000117.5
214N33Very low38.4Very low129 Ų129145.4 Ų145.469%0.6980%0.801SS**  trans58.8106147.6-168.225.2000119.6
215Q42Very low38.2Very low188 Ų188147 Ų14788%0.87981%0.807SS**  trans-155.4135.9139.3-122.8163.69600111.2
216Q35.1Very low38.1Very low174 Ų174147.1 Ų147.181%0.81381%0.808SS**  trans-72.9140.6178.8-64.9123.1-50.200111.7
217R35.7Very low38.6Very low247 Ų247145.4 Ų145.493%0.93281%0.809SS**  trans-124.4116.9161.4-82.4-169.7171.7-166.3-2110.4
218T41.3Very low38.9Very low125 Ų125146.8 Ų146.877%0.76781%0.806SS**PPolyproline II helixtrans-75.9153.1164.7450000110.2Q220T218-Q220 PolarHBondContact O-N 2.71Å
219P41.2Very low39Very low124 Ų124148.1 Ų148.181%0.80580%0.804SS**PPolyproline II helixtrans-69.6130179.5-17.131.5000111.4
220Q39.8Very low38.8Very low169 Ų169144.2 Ų144.279%0.7980%0.798SS**PPolyproline II helixtrans-80.1129.7169.6-72.7-164.9-27.600110.6T218 I222T218-Q220 PolarHBondContact O-N 2.71Å; Q220-I222 HydrophobicContact CB-CG1 4.48Å
221V38.4Very low38.8Very low146 Ų146143 Ų14389%0.88580%0.801SS**  trans-92.1103.4167.3178.10000107.8
222I38.8Very low38.9Very low138 Ų138143.5 Ų143.571%0.70881%0.811SS**  trans-124.1118.6170-61.7178.6000107.2Q220Q220-I222 HydrophobicContact CB-CG1 4.48Å
223G35.2Very low38.8Very low71 Ų71140.7 Ų140.773%0.73280%0.801SS**  trans-169.549.7-171.800000110.8M225G223-M225 PolarHBondContact O-N 2.68Å
224V34Very low39.1Very low137 Ų137143.7 Ų143.783%0.8381%0.811SS**  trans-74.2116.7-179.3-179.40000109.1
225M42.8Very low40.2Very low186 Ų186147 Ų14792%0.91681%0.814SS**  trans-120.9146.6163.9-81.1-167.515500110.5G223G223-M225 PolarHBondContact O-N 2.68Å
226Q36.5Very low41.3Very low173 Ų173140.9 Ų140.981%0.80880%0.8SS**  trans-82.6129.7-157.6-64.7150.9-24.900111.8
227S39.9Very low43Very low125 Ų125138.7 Ų138.787%0.87480%0.801SS**  trans-94102.8166.2-171.20000109.3N229S227-N229 PolarHBondContact O-N 3.02Å
228Q44.5Very low44.6Very low170 Ų170132.6 Ų132.679%0.79478%0.778SS**  trans-84.298.5173.2-70.7-168.6100110.9
229N36.6Very low46.5Very low142 Ų142130.4 Ų130.476%0.75977%0.766SS**  trans44.3102.4137.5-161.614.8000118.7S227S227-N229 PolarHBondContact O-N 3.02Å
230S41Very low48.4Very low114 Ų114128.6 Ų128.680%0.79775%0.749SS**  trans-155.375.6157.4-81.90000112.2A232S230-A232 PolarHBondContact O-N 3.46Å
231S36.8Very low50.5Low121 Ų121128 Ų12885%0.84675%0.747SS**  trans41.251.7147.3-53.60000119.2G233S231-G233 PolarHBondContact O-N 3.12Å
232A43.8Very low52.6Low100 Ų100126.3 Ų126.383%0.82673%0.729SS**  trans-93.576.4171.600000111.9S230S230-A232 PolarHBondContact O-N 3.46Å
233G41.5Very low54.8Low59 Ų59120.5 Ų120.561%0.60870%0.7SS**  trans-62.6152.8176.500000113.6S231 R235S231-G233 PolarHBondContact O-N 3.12Å; G233-R235 PolarHBondContact O-N 3.2Å
234N43.9Very low57.2Low180 Ų180120.2 Ų120.296%0.96368%0.684SS**  trans-43.9108.5-176.2-104.6-15.2000112.9
235R55.6Low59.5Low199 Ų199113.8 Ų113.875%0.75165%0.645SS**  trans-126.2107.5168.2-76.5-179.7171.6152.8-0.6108.2G233G233-R235 PolarHBondContact O-N 3.2Å
236G65.5Low61.3Low58 Ų58113.9 Ų113.960%0.59864%0.637SS**  trans-63.3-174.1165.400000111.7R238G236-R238 PolarHBondContact O-N 3.21Å
237P70.1Confident63.1Low128 Ų128108.5 Ų108.583%0.83161%0.61SS**SBendtrans-51119175.8-24.934.5000110.4
238R70.3Confident65.1Low119 Ų119103.4 Ų103.445%0.44957%0.574SS.*PPolyproline II helixtrans-59.5139.4175.6-69.5-176.2-175.6-116.712.7108.4G236 L240 V243G236-R238 PolarHBondContact O-N 3.21Å; R238-L240 PolarHBondContact O-N 3.46Å; R238-V243 HydrophobicContact CB-CG2 4.25Å
239P80.6Confident66.8Low80 Ų8097.3 Ų97.352%0.51956%0.558SS.*PPolyproline II helixtrans-55.2139.8172.424.8-33.7000109.1E241 Q242P239-E241 PolarHBondContact O-N 3.37Å; P239-E241 VanDerWaalsContact O-N 3.13Å; P239-Q242 HydrophobicContact CG-CB 4.31Å; P239-Q242 PolarHBondContact O-N 3.3Å
240L81.3Confident69.1Low86 Ų8694.7 Ų94.745%0.4554%0.541SS..G310 helixtrans-61.6-30.4-166.6-153.168.9000111.9R238 Q242 V243 G252 Y254R238-L240 PolarHBondContact O-N 3.46Å; L240-Q242 PolarHBondContact O-N 3.32Å; L240-V243 WeakPolarHBondContact O-CB 3.3Å; L240-V243 PolarHBondContact O-N 3.37Å; L240-G252 WeakPolarHBondContact CD2-O 3.28Å; L240-G252 VanDerWaalsContact CG-O 3.3Å; L240-G252 WeakPolarHBondContact CG-O 3.39Å; L240-G252 WeakPolarHBondContact O-CA 3.44Å; L240-G252 PolarHBondContact O-N 2.83Å; L240-G252 VanDerWaalsContact O-N 3.15Å; L240-Y254 HydrophobicContact CD1-CD2 3.83Å; L240-Y254 HydrophobicContact CD1-CE2 3.48Å; L240-Y254 VanDerWaalsContact CD1-CE2 3.48Å
241E82.6Confident71.4Confident157 Ų15796.3 Ų96.373%0.73453%0.533SS*.G310 helixtrans-56.3-26.9170.6-65.1148.2-137.200114.5P239 K251P239-E241 PolarHBondContact O-N 3.37Å; P239-E241 VanDerWaalsContact O-N 3.13Å; E241-K251 WeakPolarHBondContact O-CB 3.47Å; E241-K251 WeakPolarHBondContact O-CD 3.49Å
242Q83.9Confident73.7Confident110 Ų11092.1 Ų92.151%0.51451%0.509SS..G310 helixtrans-93.8-2.8175.5-152-169.662.300112.7P239 L240 T244P239-Q242 HydrophobicContact CG-CB 4.31Å; P239-Q242 PolarHBondContact O-N 3.3Å; L240-Q242 PolarHBondContact O-N 3.32Å; Q242-T244 PolarHBondContact O-N 3.01Å
243V85Confident75.9Confident15 Ų1588.9 Ų88.99%0.09148%0.477CS..  trans-89.6103.7177.6-178.60000109.3R238 L240 K251 G252 Y254R238-V243 HydrophobicContact CB-CG2 4.25Å; L240-V243 WeakPolarHBondContact O-CB 3.3Å; L240-V243 PolarHBondContact O-N 3.37Å; V243-K251 CarbonylContact O-C 3.57Å; V243-K251 WeakPolarHBondContact O-CA 3.27Å; V243-G252 PolarHBondContact O-N 3.36Å; V243-G252 VanDerWaalsContact O-N 3.14Å; V243-Y254 HydrophobicContact CB-CE1 4.5Å; V243-Y254 HydrophobicContact CG1-CD1 3.58Å; V243-Y254 HydrophobicContact CG1-CE1 3.61Å; V243-Y254 HydrophobicContact CG1-CG 4.1Å; V243-Y254 HydrophobicContact CG2-CE1 4.06Å
244T85.2Confident77.9Confident66 Ų6691.3 Ų91.341%0.40547%0.468SS..BIsolated β-bridgetrans-76.3132.9168.6-50.10000110.6Q242 G249 E250Q242-T244 PolarHBondContact O-N 3.01Å; T244-G249 VanDerWaalsContact CG2-O 3.28Å; T244-G249 WeakPolarHBondContact CG2-O 3.46Å; T244-E250 CarbonylContact C-O 3.58Å; T244-E250 WeakPolarHBondContact CA-O 3.42Å
245C83Confident79.7Confident1 Ų183.7 Ų83.71%0.00743%0.43CS..  trans-82.1116.9178.4178.50000111.9K247 C248 G249 E250 H253 A255 C258C245-K247 PolarHBondContact O-N 2.9Å; C245-K247 PolarHBondContact SG-N 2.97Å; C245-K247 VanDerWaalsContact SG-N 3.44Å; C245-C248 PolarHBondContact O-N 3.2Å; C245-G249 WeakPolarHBondContact O-CA 3.39Å; C245-G249 PolarHBondContact O-N 3.14Å; C245-E250 WeakPolarHBondContact CB-O 3.42Å; C245-E250 PolarHBondContact N-O 2.89Å; C245-H253 WeakPolarHBondContact CB-NE2 3.46Å; C245-H253 PolarHBondContact SG-NE2 3.46Å; C245-A255 VanDerWaalsContact SG-CA 3.58Å; C245-C258 PolarHBondContact SG-SG 2.96Å
246Y79Confident80.9Confident189 Ų18979.9 Ų79.974%0.74143%0.425SS*.THydrogen-bonded Turntrans-63.9-2.4176.7-64.9-85.8000115.6
247K75.8Confident81.6Confident60 Ų6086.9 Ų86.926%0.26143%0.434SS..THydrogen-bonded Turntrans-108.4-10.4177.9-70-173-170.4-66.90114.7D34 G74 C245 A255 C258 F265D34-K247 IonicContact OD2-NZ 2.77Å; G74-K247 PolarHBondContact O-NZ 2.83Å; C245-K247 PolarHBondContact O-N 2.9Å; C245-K247 PolarHBondContact SG-N 2.97Å; C245-K247 VanDerWaalsContact SG-N 3.44Å; K247-A255 HydrophobicContact CD-CB 4.38Å; K247-A255 HydrophobicContact CG-CB 4.1Å; K247-C258 HydrophobicContact CB-CB 4.32Å; K247-F265 WeakPolarHBondContact O-CE2 3.33Å; K247-F265 WeakPolarHBondContact O-CZ 3.35Å
248C80.7Confident82.2Confident17 Ų1781.9 Ų81.912%0.11540%0.401CS..THydrogen-bonded Turntrans-146.4-8178.366.40000115.1C245 E250 C258 K260 A264C245-C248 PolarHBondContact O-N 3.2Å; C248-E250 VanDerWaalsContact C-N 3.25Å; C248-E250 PolarHBondContact O-N 3.33Å; C248-C258 VanDerWaalsContact SG-SG 3.63Å; C248-K260 HydrophobicContact CB-CB 4.1Å; C248-K260 HydrophobicContact CB-CD 4.38Å; C248-A264 HydrophobicContact CB-CB 4.48Å
249G81.1Confident82.8Confident43 Ų4383 Ų8344%0.44342%0.422SS..SBendtrans80.1-7-17800000115.4T244 C245T244-G249 VanDerWaalsContact CG2-O 3.28Å; T244-G249 WeakPolarHBondContact CG2-O 3.46Å; C245-G249 WeakPolarHBondContact O-CA 3.39Å; C245-G249 PolarHBondContact O-N 3.14Å
250E83.9Confident82.3Confident86 Ų8683.4 Ų83.440%0.40242%0.415SS..  trans-82.9155.5-178.8-60.1-175.3139.200112.8T244 C245 C248 K260T244-E250 CarbonylContact C-O 3.58Å; T244-E250 WeakPolarHBondContact CA-O 3.42Å; C245-E250 WeakPolarHBondContact CB-O 3.42Å; C245-E250 PolarHBondContact N-O 2.89Å; C248-E250 VanDerWaalsContact C-N 3.25Å; C248-E250 PolarHBondContact O-N 3.33Å; E250-K260 IonicContact OE1-NZ 2.64Å; E250-K260 PolarHBondContact OE1-NZ 3Å; E250-K260 WeakPolarHBondContact OE2-CD 3.18Å; E250-K260 WeakPolarHBondContact OE2-CE 3.22Å; E250-K260 IonicContact OE2-NZ 2.86Å; E250-K260 PolarHBondContact OE2-NZ 2.87Å
251K88.7Confident81.3Confident148 Ų14881.4 Ų81.464%0.64342%0.415SS*.BIsolated β-bridgetrans-87.6171.7176.2-69.6172.2-177.5175.20111.5E241 V243E241-K251 WeakPolarHBondContact O-CB 3.47Å; E241-K251 WeakPolarHBondContact O-CD 3.49Å; V243-K251 CarbonylContact O-C 3.57Å; V243-K251 WeakPolarHBondContact O-CA 3.27Å
252G86.9Confident80.2Confident33 Ų3378.5 Ų78.534%0.3440%0.402SS..SBendtrans89.62.8171.300000115.4L240 V243L240-G252 WeakPolarHBondContact CD2-O 3.28Å; L240-G252 VanDerWaalsContact CG-O 3.3Å; L240-G252 WeakPolarHBondContact CG-O 3.39Å; L240-G252 WeakPolarHBondContact O-CA 3.44Å; L240-G252 PolarHBondContact O-N 2.83Å; L240-G252 VanDerWaalsContact O-N 3.15Å; V243-G252 PolarHBondContact O-N 3.36Å; V243-G252 VanDerWaalsContact O-N 3.14Å
253H88.4Confident79Confident33 Ų3379.5 Ų79.515%0.15341%0.41CS..SBendtrans-159.215617564.8-78.7000113.8C245 C258C245-H253 WeakPolarHBondContact CB-NE2 3.46Å; C245-H253 PolarHBondContact SG-NE2 3.46Å; H253-C258 PolarHBondContact NE2-SG 3.19Å
254Y84.5Confident77.5Confident109 Ų10980 Ų8043%0.42742%0.415SS..  trans-81.2150.5170.4-66.2-80.2000111.4L240 V243 N256 R257L240-Y254 HydrophobicContact CD1-CD2 3.83Å; L240-Y254 HydrophobicContact CD1-CE2 3.48Å; L240-Y254 VanDerWaalsContact CD1-CE2 3.48Å; V243-Y254 HydrophobicContact CB-CE1 4.5Å; V243-Y254 HydrophobicContact CG1-CD1 3.58Å; V243-Y254 HydrophobicContact CG1-CE1 3.61Å; V243-Y254 HydrophobicContact CG1-CG 4.1Å; V243-Y254 HydrophobicContact CG2-CE1 4.06Å; Y254-N256 PolarHBondContact O-N 3.27Å; Y254-R257 PolarHBondContact O-N 3.41Å
255A81.7Confident76Confident20 Ų2081.5 Ų81.517%0.16542%0.416CS..G310 helixtrans-50.8-27.6176.700000115C245 K247 R257 C258C245-A255 VanDerWaalsContact SG-CA 3.58Å; K247-A255 HydrophobicContact CD-CB 4.38Å; K247-A255 HydrophobicContact CG-CB 4.1Å; A255-R257 PolarHBondContact O-N 2.93Å; A255-C258 WeakPolarHBondContact O-CB 3.38Å
256N80.1Confident74.6Confident120 Ų12088.4 Ų88.464%0.64245%0.452SS*.G310 helixtrans-73.9-12.8178.4-4612.8000113.4L75 Y254L75-N256 HydrophobicContact CD2-CB 4.38Å; L75-N256 WeakPolarHBondContact CD2-OD1 3.42Å; Y254-N256 PolarHBondContact O-N 3.27Å
257R81.6Confident73.2Confident205 Ų20584.6 Ų84.677%0.77445%0.454SS*.G310 helixtrans-12320-178.7-63.9-174.1176.9-130.81.6111.8Y254 A255 T259Y254-R257 PolarHBondContact O-N 3.41Å; A255-R257 PolarHBondContact O-N 2.93Å; R257-T259 PolarHBondContact O-N 3.27Å
258C80.9Confident71.7Confident23 Ų2385 Ų8516%0.15547%0.474CS..  trans-75.5104.1-177.9-162.30000109.9C245 K247 C248 H253 A255 K260C245-C258 PolarHBondContact SG-SG 2.96Å; K247-C258 HydrophobicContact CB-CB 4.32Å; C248-C258 VanDerWaalsContact SG-SG 3.63Å; H253-C258 PolarHBondContact NE2-SG 3.19Å; A255-C258 WeakPolarHBondContact O-CB 3.38Å; C258-K260 PolarHBondContact O-N 3.02Å; C258-K260 PolarHBondContact SG-O 3Å
259T83.5Confident69.6Low142 Ų14297 Ų9787%0.87153%0.529SS*.SBendtrans-63.2-34.917451.20000111.3R257 G261R257-T259 PolarHBondContact O-N 3.27Å; T259-G261 PolarHBondContact O-N 3.19Å
260K70Confident69Low89 Ų8999.7 Ų99.739%0.38753%0.533SS..SBendtrans-66.593.9167-85.6178.4-176.1-178.70110.3C248 E250 C258 A264C248-K260 HydrophobicContact CB-CB 4.1Å; C248-K260 HydrophobicContact CB-CD 4.38Å; E250-K260 IonicContact OE1-NZ 2.64Å; E250-K260 PolarHBondContact OE1-NZ 3Å; E250-K260 WeakPolarHBondContact OE2-CD 3.18Å; E250-K260 WeakPolarHBondContact OE2-CE 3.22Å; E250-K260 IonicContact OE2-NZ 2.86Å; E250-K260 PolarHBondContact OE2-NZ 2.87Å; C258-K260 PolarHBondContact O-N 3.02Å; C258-K260 PolarHBondContact SG-O 3Å; K260-A264 HydrophobicContact CB-CB 3.44Å; K260-A264 VanDerWaalsContact CB-CB 3.44Å; K260-A264 HydrophobicContact CD-CB 4.07Å; K260-A264 HydrophobicContact CG-CB 3.74Å
261G61.8Low68.2Low44 Ų44100.4 Ų100.445%0.45454%0.54SS..  trans-60.8180174.900000113.2T259 L263 A264T259-G261 PolarHBondContact O-N 3.19Å; G261-L263 PolarHBondContact O-N 2.99Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3.32Å; G261-A264 PolarHBondContact O-N 3.11Å
262H58.7Low67.1Low96 Ų9697.8 Ų97.844%0.44453%0.534SS..THydrogen-bonded Turntrans-54.5-18.4-174.8-165.5-63.7000114.9G37G37-H262 WeakPolarHBondContact CA-NE2 3.47Å; G37-H262 PolarHBondContact N-NE2 3.03Å
263L58Low65.9Low131 Ų131101.6 Ų101.669%0.68655%0.545SS*.THydrogen-bonded Turntrans-82.2-9.7178-59.9176.9000114.3G261 F265 L266G261-L263 PolarHBondContact O-N 2.99Å; L263-F265 PolarHBondContact O-N 3.04Å; L263-L266 HydrophobicContact CD2-CD1 4.39Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 3.14Å
264A53.9Low64.5Low24 Ų24105.9 Ų105.920%0.19857%0.57CS.*G310 helixtrans-65.6-15.1-168.900000115.6C248 K260 G261 L266 S267C248-A264 HydrophobicContact CB-CB 4.48Å; K260-A264 HydrophobicContact CB-CB 3.44Å; K260-A264 VanDerWaalsContact CB-CB 3.44Å; K260-A264 HydrophobicContact CD-CB 4.07Å; K260-A264 HydrophobicContact CG-CB 3.74Å; G261-A264 VanDerWaalsContact O-CB 3.31Å; G261-A264 WeakPolarHBondContact O-CB 3.32Å; G261-A264 PolarHBondContact O-N 3.11Å; A264-L266 PolarHBondContact O-N 3.11Å; A264-S267 PolarHBondContact O-N 3.01Å
265F53.1Low63.2Low99 Ų99105.7 Ų105.743%0.43458%0.579SS.*G310 helixtrans-68.4-14170.9-63.9-70.5000113.5M33 K247 L263M33-F265 HydrophobicContact CE-CE2 4.4Å; M33-F265 HydrophobicContact CE-CZ 4.09Å; M33-F265 HydrophobicContact SD-CZ 3.94Å; K247-F265 WeakPolarHBondContact O-CE2 3.33Å; K247-F265 WeakPolarHBondContact O-CZ 3.35Å; L263-F265 PolarHBondContact O-N 3.04Å
266L53.7Low61.9Low145 Ų145111.8 Ų111.876%0.75961%0.609SS**G310 helixtrans-83.9-8.1177.4-60.4175.4000113.6L263 A264L263-L266 HydrophobicContact CD2-CD1 4.39Å; L263-L266 WeakPolarHBondContact O-CB 3.37Å; L263-L266 PolarHBondContact O-N 3.14Å; A264-L266 PolarHBondContact O-N 3.11Å
267S50.2Low60.5Low110 Ų110111.2 Ų111.277%0.76961%0.606SS**SBendtrans-101.435.7-179.4-50.60000112.3A264A264-S267 PolarHBondContact O-N 3.01Å
268G44.7Very low58.7Low67 Ų67103.3 Ų103.369%0.69159%0.593SS**  trans-125.122.3-168.600000115.4
269Q36Very low56.7Low270 Ų270110.6 Ų110.6100%1.26263%0.632SS**  trans-142.60166.4-96.2175.7100.500108

Retrieved 269 of 269 residues in 61.4 ms (Link to these results)