A0A087X999_POEFO Loading...

Solute carrier family 22 member 3

AlphaFold DB , UniProt , Accession A0A087X999, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 554 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
1M46.9Very low68.1Low186 Ų18649.4 Ų49.492%0.91625%0.253SS*.  0134.20-89.3160177.400106.9S318M1-S318 WeakPolarHBondContact CG-OG 3.38Å; M1-S318 PolarHBondContact SD-OG 3.14Å
2A55.4Low68.7Low14 Ų1446.3 Ų46.312%0.11624%0.242CC..  trans-80.7133.4167.100000108.8D6 M313A2-D6 HydrophobicContact CB-CB 4.29Å; A2-M313 HydrophobicContact CB-CG 3.75Å; A2-M313 HydrophobicContact CB-SD 3.31Å; A2-M313 WeakPolarHBondContact CB-SD 3.13Å
3T66.4Low69.2Low48 Ų4847.4 Ų47.429%0.29424%0.244SC..  trans-73.3158.8171.167.60000109.1D5 D6 I7T3-D5 PolarHBondContact O-N 2.9Å; T3-D6 PolarHBondContact N-OD2 3.18Å; T3-D6 WeakPolarHBondContact O-CB 3.39Å; T3-D6 PolarHBondContact O-N 2.98Å; T3-D6 VanDerWaalsContact O-N 3.15Å; T3-D6 PolarHBondContact OG1-N 2.73Å; T3-D6 PolarHBondContact OG1-OD1 3.34Å; T3-D6 PolarHBondContact OG1-OD2 2.95Å; T3-I7 PolarHBondContact O-N 3.47Å
4F68.9Low70.1Confident23 Ų2347.5 Ų47.510%0.10124%0.242CC..Hα-helixtrans-62-26.6173.8179.9-99.9000112.5I7 L8 P283 R284 L287F4-I7 PolarHBondContact O-N 3.4Å; F4-L8 HydrophobicContact CD1-CD1 3.71Å; F4-L8 HydrophobicContact CD1-CG 4.22Å; F4-L8 HydrophobicContact CE1-CD1 3.2Å; F4-L8 HydrophobicContact CE1-CD2 4.39Å; F4-L8 HydrophobicContact CE1-CG 3.59Å; F4-L8 HydrophobicContact CZ-CD1 3.98Å; F4-L8 HydrophobicContact CZ-CD2 4.4Å; F4-L8 HydrophobicContact CZ-CG 3.86Å; F4-L8 PolarHBondContact O-N 3.17Å; F4-P283 HydrophobicContact CE2-CB 3.79Å; F4-P283 HydrophobicContact CZ-CB 3.58Å; F4-P283 HydrophobicContact CZ-CG 4.14Å; F4-R284 HydrophobicContact CD1-CG 3.25Å; F4-R284 HydrophobicContact CE1-CB 4.41Å; F4-R284 HydrophobicContact CE1-CG 3.18Å; F4-R284 HydrophobicContact CG-CG 4.16Å; F4-R284 HydrophobicContact CZ-CG 4.09Å; F4-L287 HydrophobicContact CB-CD1 4.25Å; F4-L287 HydrophobicContact CD2-CD1 3.34Å; F4-L287 HydrophobicContact CE2-CD1 3.97Å; F4-L287 HydrophobicContact CG-CD1 3.98Å
5D69.9Low71Confident42 Ų4245.5 Ų45.523%0.22524%0.237CC..Hα-helixtrans-63.2-42.2173.6-84.3-59.3000111.7T3 I7 L8 E9 V227 R230 R284T3-D5 PolarHBondContact O-N 2.9Å; D5-I7 VanDerWaalsContact C-N 3.26Å; D5-I7 PolarHBondContact O-N 2.9Å; D5-L8 WeakPolarHBondContact O-CB 3.34Å; D5-L8 PolarHBondContact O-N 2.97Å; D5-L8 VanDerWaalsContact O-N 3.15Å; D5-E9 WeakPolarHBondContact O-CG 3.41Å; D5-E9 PolarHBondContact O-N 2.81Å; D5-V227 HydrophobicContact CB-CG2 4.18Å; D5-V227 VanDerWaalsContact CG-CG2 3.48Å; D5-V227 WeakPolarHBondContact OD1-CG2 3.12Å; D5-R230 IonicContact OD1-CZ 2.82Å; D5-R230 IonicContact OD1-NH1 3.71Å; D5-R230 IonicContact OD1-NH2 3.28Å; D5-R230 PolarHBondContact OD1-NH2 2.77Å; D5-R284 IonicContact OD1-CZ 3.24Å; D5-R284 IonicContact OD1-NH2 3.8Å; D5-R284 PolarHBondContact OD1-NH2 3.07Å; D5-R284 IonicContact OD2-CZ 2.83Å; D5-R284 IonicContact OD2-NH1 2.6Å; D5-R284 IonicContact OD2-NH2 3.76Å; D5-R284 PolarHBondContact OD2-NH2 3.16Å
6D69.7Low72Confident73 Ų7353.7 Ų53.739%0.3926%0.264SS..Hα-helixtrans-59.9-38.5176.8-56.6-41.4000111.8A2 T3 E9 E10A2-D6 HydrophobicContact CB-CB 4.29Å; T3-D6 PolarHBondContact N-OD2 3.18Å; T3-D6 WeakPolarHBondContact O-CB 3.39Å; T3-D6 PolarHBondContact O-N 2.98Å; T3-D6 VanDerWaalsContact O-N 3.15Å; T3-D6 PolarHBondContact OG1-N 2.73Å; T3-D6 PolarHBondContact OG1-OD1 3.34Å; T3-D6 PolarHBondContact OG1-OD2 2.95Å; D6-E9 WeakPolarHBondContact O-CB 3.29Å; D6-E9 PolarHBondContact O-N 3.05Å; D6-E10 PolarHBondContact O-N 3.17Å; D6-E10 VanDerWaalsContact O-N 3.09Å
7I73.2Confident72.9Confident3 Ų350.9 Ų50.92%0.01525%0.251CS..Hα-helixtrans-71.9-36.3178.8-59.5-171.3000111.7T3 F4 D5 E9 E10 A11 T299 L310 I314 L317T3-I7 PolarHBondContact O-N 3.47Å; F4-I7 PolarHBondContact O-N 3.4Å; D5-I7 VanDerWaalsContact C-N 3.26Å; D5-I7 PolarHBondContact O-N 2.9Å; I7-E9 VanDerWaalsContact C-N 3.28Å; I7-E10 PolarHBondContact O-N 2.96Å; I7-A11 WeakPolarHBondContact O-CB 3.3Å; I7-A11 PolarHBondContact O-N 3.39Å; I7-T299 HydrophobicContact CG2-CG2 3.87Å; I7-L310 HydrophobicContact CG2-CD2 3.47Å; I7-L310 VanDerWaalsContact CG2-CD2 3.47Å; I7-L310 HydrophobicContact CG2-CG 4.44Å; I7-I314 HydrophobicContact CD1-CG1 4.36Å; I7-I314 HydrophobicContact CG2-CG1 4.22Å; I7-L317 HydrophobicContact CD1-CD1 3.71Å; I7-L317 HydrophobicContact CD1-CD2 3.44Å; I7-L317 VanDerWaalsContact CD1-CD2 3.44Å; I7-L317 HydrophobicContact CD1-CG 3.5Å
8L74.3Confident73.8Confident1 Ų148.1 Ų48.11%0.00524%0.237CC..Hα-helixtrans-63.9-35.9171.9-91.2168.6000111.6F4 D5 A11 G12 I224F4-L8 HydrophobicContact CD1-CD1 3.71Å; F4-L8 HydrophobicContact CD1-CG 4.22Å; F4-L8 HydrophobicContact CE1-CD1 3.2Å; F4-L8 HydrophobicContact CE1-CD2 4.39Å; F4-L8 HydrophobicContact CE1-CG 3.59Å; F4-L8 HydrophobicContact CZ-CD1 3.98Å; F4-L8 HydrophobicContact CZ-CD2 4.4Å; F4-L8 HydrophobicContact CZ-CG 3.86Å; F4-L8 PolarHBondContact O-N 3.17Å; D5-L8 WeakPolarHBondContact O-CB 3.34Å; D5-L8 PolarHBondContact O-N 2.97Å; D5-L8 VanDerWaalsContact O-N 3.15Å; L8-A11 PolarHBondContact O-N 2.94Å; L8-G12 CarbonylContact O-C 3.25Å; L8-G12 PolarHBondContact O-N 3.03Å; L8-I224 WeakPolarHBondContact CD2-O 3.41Å
9E76.4Confident74.7Confident83 Ų8351.7 Ų51.739%0.38825%0.251SS..Hα-helixtrans-63.2-45.1173.6-61.3-150.6147.200111.4D5 D6 I7 G12 K13D5-E9 WeakPolarHBondContact O-CG 3.41Å; D5-E9 PolarHBondContact O-N 2.81Å; D6-E9 WeakPolarHBondContact O-CB 3.29Å; D6-E9 PolarHBondContact O-N 3.05Å; I7-E9 VanDerWaalsContact C-N 3.28Å; E9-G12 PolarHBondContact O-N 3.45Å; E9-G12 VanDerWaalsContact O-N 3.14Å; E9-K13 HydrophobicContact CB-CG 4.36Å; E9-K13 HydrophobicContact CG-CG 4.34Å; E9-K13 WeakPolarHBondContact OE1-CE 3.14Å; E9-K13 IonicContact OE1-NZ 3.12Å; E9-K13 PolarHBondContact OE1-NZ 3.21Å; E9-K13 VanDerWaalsContact OE1-NZ 3.12Å; E9-K13 WeakPolarHBondContact OE2-CE 3.49Å; E9-K13 IonicContact OE2-NZ 3.64Å
10E75.8Confident75.6Confident70 Ų7054.4 Ų54.433%0.32726%0.259SS..Hα-helixtrans-63.1-41.6175.5-72.5-171.1-176.700112.9D6 I7 G12 L310 S311D6-E10 PolarHBondContact O-N 3.17Å; D6-E10 VanDerWaalsContact O-N 3.09Å; I7-E10 PolarHBondContact O-N 2.96Å; E10-G12 PolarHBondContact O-N 3.33Å; E10-G12 VanDerWaalsContact O-N 3.17Å; E10-L310 HydrophobicContact CB-CG 4.3Å; E10-S311 PolarHBondContact OE1-OG 2.62Å; E10-S311 VanDerWaalsContact OE1-OG 3.05Å; E10-S311 WeakPolarHBondContact OE2-CB 3.4Å; E10-S311 PolarHBondContact OE2-N 3.07Å; E10-S311 PolarHBondContact OE2-OG 3.49Å
11A72.4Confident76.3Confident0 Ų051.9 Ų51.90%025%0.247CC..Hα-helixtrans-66.2-13.4176.300000113.1I7 L8 T299 A303 N306 L310I7-A11 WeakPolarHBondContact O-CB 3.3Å; I7-A11 PolarHBondContact O-N 3.39Å; L8-A11 PolarHBondContact O-N 2.94Å; A11-T299 HydrophobicContact CB-CG2 4.25Å; A11-A303 HydrophobicContact CB-CB 4.42Å; A11-N306 PolarHBondContact O-ND2 3.49Å; A11-L310 HydrophobicContact CB-CD1 3.9Å
12G75.8Confident78.4Confident12 Ų1244.1 Ų44.112%0.12421%0.208CC..Hα-helixtrans104.2111.7-178.700000111.3L8 E9 E10 F14 Q18L8-G12 CarbonylContact O-C 3.25Å; L8-G12 PolarHBondContact O-N 3.03Å; E9-G12 PolarHBondContact O-N 3.45Å; E9-G12 VanDerWaalsContact O-N 3.14Å; E10-G12 PolarHBondContact O-N 3.33Å; E10-G12 VanDerWaalsContact O-N 3.17Å; G12-F14 PolarHBondContact O-N 3.37Å; G12-Q18 PolarHBondContact O-NE2 3.03Å
13K75.2Confident80.1Confident61 Ų6145.8 Ų45.827%0.26522%0.222SC..THydrogen-bonded Turntrans-46.2-39.8-176.3-61.3-174.9172.1-165.60114.8E9 G226 E228 F229E9-K13 HydrophobicContact CB-CG 4.36Å; E9-K13 HydrophobicContact CG-CG 4.34Å; E9-K13 WeakPolarHBondContact OE1-CE 3.14Å; E9-K13 IonicContact OE1-NZ 3.12Å; E9-K13 PolarHBondContact OE1-NZ 3.21Å; E9-K13 VanDerWaalsContact OE1-NZ 3.12Å; E9-K13 WeakPolarHBondContact OE2-CE 3.49Å; E9-K13 IonicContact OE2-NZ 3.64Å; K13-G226 PolarHBondContact O-N 3.07Å; K13-G226 VanDerWaalsContact O-N 3.14Å; K13-E228 WeakPolarHBondContact CD-OE2 3.37Å; K13-E228 VanDerWaalsContact NZ-CD 3.3Å; K13-E228 IonicContact NZ-OE1 2.72Å; K13-E228 PolarHBondContact NZ-OE1 3.24Å; K13-E228 IonicContact NZ-OE2 3.37Å; K13-E228 PolarHBondContact NZ-OE2 3.01Å; K13-F229 HydrophobicContact CB-CD2 4.08Å; K13-F229 HydrophobicContact CB-CE2 3.81Å
14F81.1Confident81.4Confident49 Ų4945.5 Ų45.522%0.21522%0.218CC..THydrogen-bonded Turntrans-153.263.4176.5-162.8-122.4000111.5G12 Q18 K19 F22 V225 F229 V233G12-F14 PolarHBondContact O-N 3.37Å; F14-Q18 HydrophobicContact CD2-CB 4.15Å; F14-Q18 HydrophobicContact CE2-CB 4.5Å; F14-K19 HydrophobicContact CD1-CD 4.21Å; F14-K19 HydrophobicContact CD1-CG 3.74Å; F14-K19 HydrophobicContact CE1-CD 4.13Å; F14-K19 HydrophobicContact CE1-CG 3.43Å; F14-K19 VanDerWaalsContact CE1-CG 3.43Å; F14-K19 HydrophobicContact CE2-CG 4.36Å; F14-K19 HydrophobicContact CG-CG 4.33Å; F14-K19 HydrophobicContact CZ-CG 3.78Å; F14-K19 VanDerWaalsContact O-CE 3.29Å; F14-K19 WeakPolarHBondContact O-CE 3.29Å; F14-F22 HydrophobicContact CE2-CB 4.44Å; F14-F22 HydrophobicContact CE2-CG 4.49Å; F14-F22 AromaticContact CZ-CD1 3.95Å; F14-F22 HydrophobicContact CZ-CD1 3.95Å; F14-F22 HydrophobicContact CZ-CG 4.32Å; F14-V225 HydrophobicContact CD2-CG1 3.87Å; F14-V225 HydrophobicContact CD2-CG2 4.07Å; F14-V225 HydrophobicContact CE2-CG1 4.34Å; F14-V225 HydrophobicContact CE2-CG2 4.03Å; F14-F229 HydrophobicContact CB-CD1 4.36Å; F14-F229 HydrophobicContact CB-CD2 3.79Å; F14-F229 HydrophobicContact CB-CE1 4.49Å; F14-F229 HydrophobicContact CB-CE2 3.94Å; F14-F229 HydrophobicContact CB-CG 4.02Å; F14-F229 HydrophobicContact CB-CZ 4.29Å; F14-F229 HydrophobicContact CG-CD1 4.47Å; F14-F229 HydrophobicContact CG-CG 4.33Å; F14-V233 HydrophobicContact CE2-CG2 3.9Å; F14-V233 HydrophobicContact CZ-CG2 4.21Å
15G84.1Confident82.4Confident17 Ų1744.4 Ų44.418%0.17521%0.214CC..  trans-75-173.9-178.700000114.9C17 Q18 K19 N306G15-C17 VanDerWaalsContact C-N 3.34Å; G15-C17 PolarHBondContact O-N 3.42Å; G15-Q18 VanDerWaalsContact CA-OE1 3.28Å; G15-Q18 PolarHBondContact O-N 3.14Å; G15-K19 WeakPolarHBondContact O-CG 3.36Å; G15-K19 PolarHBondContact O-N 2.72Å; G15-N306 VanDerWaalsContact C-OD1 3.31Å; G15-N306 WeakPolarHBondContact CA-OD1 3.35Å
16R86.8Confident83.4Confident177 Ų17742.4 Ų42.467%0.66820%0.203SC*.Hα-helixtrans-62.2-40.4-177.7-74.1-174.7177.7-171.9-1.6112.2K19 R20 N306R16-K19 PolarHBondContact O-N 3.06Å; R16-R20 PolarHBondContact O-N 3.14Å; R16-N306 PolarHBondContact N-OD1 3.12Å
17C87.3Confident84.5Confident6 Ų643 Ų434%0.04120%0.204CC..Hα-helixtrans-62.5-49.4179.1-168.70000111G15 K19 R20 I21 E305 N306G15-C17 VanDerWaalsContact C-N 3.34Å; G15-C17 PolarHBondContact O-N 3.42Å; C17-K19 PolarHBondContact O-N 2.89Å; C17-R20 PolarHBondContact O-N 3.01Å; C17-I21 WeakPolarHBondContact O-CG1 3.45Å; C17-I21 PolarHBondContact O-N 2.87Å; C17-E305 HydrophobicContact CB-CB 4.15Å; C17-E305 HydrophobicContact CB-CG 4.04Å; C17-E305 WeakPolarHBondContact CB-OE2 3.32Å; C17-E305 PolarHBondContact SG-OE2 3.4Å; C17-N306 PolarHBondContact N-OD1 3.44Å; C17-N306 VanDerWaalsContact N-OD1 3.14Å
18Q89Confident85.3Confident1 Ų143.1 Ų43.11%0.00521%0.205CC..Hα-helixtrans-62.8-41.5178.6-64.795.2-25.900111.8G12 F14 G15 R20 I21 F22 I224 V225 M302 N306G12-Q18 PolarHBondContact O-NE2 3.03Å; F14-Q18 HydrophobicContact CD2-CB 4.15Å; F14-Q18 HydrophobicContact CE2-CB 4.5Å; G15-Q18 VanDerWaalsContact CA-OE1 3.28Å; G15-Q18 PolarHBondContact O-N 3.14Å; Q18-R20 VanDerWaalsContact C-N 3.34Å; Q18-R20 PolarHBondContact O-N 3.5Å; Q18-I21 PolarHBondContact O-N 3.43Å; Q18-F22 WeakPolarHBondContact O-CB 3.35Å; Q18-F22 PolarHBondContact O-N 2.85Å; Q18-I224 HydrophobicContact CB-CG2 4.46Å; Q18-I224 HydrophobicContact CG-CG2 3.78Å; Q18-V225 HydrophobicContact CB-CG2 4.43Å; Q18-M302 HydrophobicContact CG-CE 3.88Å; Q18-N306 PolarHBondContact NE2-ND2 2.92Å; Q18-N306 PolarHBondContact OE1-ND2 3.5Å; Q18-N306 PolarHBondContact OE1-OD1 3.31Å
19K90.4Very high86.1Confident116 Ų11643 Ų4350%0.50421%0.205SC..Hα-helixtrans-60.1-41.4175.6-75.1176.9-177-174.90112.6F14 G15 R16 C17 A23F14-K19 HydrophobicContact CD1-CD 4.21Å; F14-K19 HydrophobicContact CD1-CG 3.74Å; F14-K19 HydrophobicContact CE1-CD 4.13Å; F14-K19 HydrophobicContact CE1-CG 3.43Å; F14-K19 VanDerWaalsContact CE1-CG 3.43Å; F14-K19 HydrophobicContact CE2-CG 4.36Å; F14-K19 HydrophobicContact CG-CG 4.33Å; F14-K19 HydrophobicContact CZ-CG 3.78Å; F14-K19 VanDerWaalsContact O-CE 3.29Å; F14-K19 WeakPolarHBondContact O-CE 3.29Å; G15-K19 WeakPolarHBondContact O-CG 3.36Å; G15-K19 PolarHBondContact O-N 2.72Å; R16-K19 PolarHBondContact O-N 3.06Å; C17-K19 PolarHBondContact O-N 2.89Å; K19-A23 WeakPolarHBondContact O-CB 3.36Å; K19-A23 PolarHBondContact O-N 3.48Å
20R92.5Very high86.9Confident106 Ų10641 Ų4140%0.420%0.196SC..Hα-helixtrans-63.5-50.6175.9-177.9-176.766.9-143.7-14111.3R16 C17 Q18 F22 A23 L24 E305R16-R20 PolarHBondContact O-N 3.14Å; C17-R20 PolarHBondContact O-N 3.01Å; Q18-R20 VanDerWaalsContact C-N 3.34Å; Q18-R20 PolarHBondContact O-N 3.5Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 2.81Å; R20-A23 PolarHBondContact O-N 2.89Å; R20-L24 HydrophobicContact CG-CD1 4.23Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.49Å; R20-E305 IonicContact CZ-OE1 3.21Å; R20-E305 IonicContact CZ-OE2 3.58Å; R20-E305 IonicContact NH1-OE1 2.68Å; R20-E305 PolarHBondContact NH1-OE1 3.42Å; R20-E305 IonicContact NH1-OE2 3.6Å; R20-E305 IonicContact NH2-OE1 2.63Å; R20-E305 PolarHBondContact NH2-OE1 3.33Å; R20-E305 IonicContact NH2-OE2 3.79Å; R20-E305 PolarHBondContact NH2-OE2 3.19Å
21I90.6Very high87.7Confident2 Ų238.4 Ų38.41%0.0119%0.185CC..Hα-helixtrans-60.9-43.2-179.7-65.7164.1000110.4C17 Q18 L24 L25 I224 I279 P280C17-I21 WeakPolarHBondContact O-CG1 3.45Å; C17-I21 PolarHBondContact O-N 2.87Å; Q18-I21 PolarHBondContact O-N 3.43Å; I21-L24 PolarHBondContact O-N 3.34Å; I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 PolarHBondContact O-N 3.28Å; I21-I224 HydrophobicContact CD1-CD1 4.44Å; I21-I224 HydrophobicContact CD1-CG2 4.4Å; I21-I224 HydrophobicContact CG2-CD1 4.11Å; I21-I279 HydrophobicContact CG2-CG2 4.28Å; I21-P280 HydrophobicContact CD1-CG 3.72Å
22F91.4Very high88.7Confident22 Ų2239.9 Ų39.910%0.09619%0.19CC..Hα-helixtrans-58.7-51.6176175.5-115.1000112F14 Q18 R20 L24 L25 C26 I221 V233 I236F14-F22 HydrophobicContact CE2-CB 4.44Å; F14-F22 HydrophobicContact CE2-CG 4.49Å; F14-F22 AromaticContact CZ-CD1 3.95Å; F14-F22 HydrophobicContact CZ-CD1 3.95Å; F14-F22 HydrophobicContact CZ-CG 4.32Å; Q18-F22 WeakPolarHBondContact O-CB 3.35Å; Q18-F22 PolarHBondContact O-N 2.85Å; R20-F22 VanDerWaalsContact C-N 3.29Å; R20-F22 PolarHBondContact O-N 2.81Å; F22-L24 VanDerWaalsContact C-N 3.31Å; F22-L24 PolarHBondContact O-N 3.09Å; F22-L25 PolarHBondContact O-N 3.19Å; F22-C26 WeakPolarHBondContact CE2-SG 3.37Å; F22-C26 WeakPolarHBondContact CZ-SG 3.47Å; F22-C26 WeakPolarHBondContact O-CB 3.31Å; F22-C26 PolarHBondContact O-N 2.98Å; F22-C26 PolarHBondContact O-SG 2.82Å; F22-C26 VanDerWaalsContact O-SG 3.35Å; F22-I221 HydrophobicContact CD2-CD1 4.29Å; F22-I221 HydrophobicContact CD2-CG2 3.69Å; F22-I221 HydrophobicContact CE2-CG2 4.35Å; F22-V233 HydrophobicContact CD2-CB 4.38Å; F22-V233 HydrophobicContact CD2-CG1 3.6Å; F22-V233 HydrophobicContact CD2-CG2 4.19Å; F22-V233 HydrophobicContact CE2-CB 3.95Å; F22-V233 HydrophobicContact CE2-CG1 3.39Å; F22-V233 HydrophobicContact CE2-CG2 4.02Å; F22-V233 HydrophobicContact CZ-CB 4.42Å; F22-V233 HydrophobicContact CZ-CG1 4.3Å; F22-V233 HydrophobicContact CZ-CG2 4.26Å; F22-I236 HydrophobicContact CE1-CB 4.47Å; F22-I236 HydrophobicContact CE1-CG2 3.92Å; F22-I236 HydrophobicContact CZ-CB 3.75Å; F22-I236 HydrophobicContact CZ-CD1 4.44Å; F22-I236 HydrophobicContact CZ-CG2 3.51Å
23A91.9Very high89.5Confident50 Ų5039.3 Ų39.341%0.41318%0.184SC..Hα-helixtrans-59-40.9178.800000112.5K19 R20 M27K19-A23 WeakPolarHBondContact O-CB 3.36Å; K19-A23 PolarHBondContact O-N 3.48Å; R20-A23 PolarHBondContact O-N 2.89Å; A23-M27 PolarHBondContact O-N 3.13Å
24L92.3Very high90.3Very high42 Ų4236.6 Ų36.622%0.2217%0.174CC..Hα-helixtrans-63.8-49.1176.7-71.3172.3000111.7R20 I21 F22 C26 M27 Y275 F278 I279R20-L24 HydrophobicContact CG-CD1 4.23Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.49Å; I21-L24 PolarHBondContact O-N 3.34Å; F22-L24 VanDerWaalsContact C-N 3.31Å; F22-L24 PolarHBondContact O-N 3.09Å; L24-C26 PolarHBondContact O-N 2.68Å; L24-M27 WeakPolarHBondContact O-CB 3.29Å; L24-M27 PolarHBondContact O-N 3.28Å; L24-Y275 HydrophobicContact CB-CE2 3.93Å; L24-Y275 HydrophobicContact CD2-CE1 3.98Å; L24-Y275 WeakPolarHBondContact O-CE2 3.15Å; L24-Y275 PolarHBondContact O-OH 3.05Å; L24-F278 HydrophobicContact CD1-CB 3.79Å; L24-I279 HydrophobicContact CB-CD1 4.5Å
25L90.7Very high91Very high0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-69.3-32.9-177.9-71.1169.5000112.4I21 F22 M27 V28 F176 L220 I221 Y237 I279I21-L25 HydrophobicContact CG2-CD1 3.79Å; I21-L25 PolarHBondContact O-N 3.28Å; F22-L25 PolarHBondContact O-N 3.19Å; L25-M27 VanDerWaalsContact C-N 3.26Å; L25-M27 PolarHBondContact O-N 3.35Å; L25-V28 VanDerWaalsContact O-CB 3.28Å; L25-V28 WeakPolarHBondContact O-CB 3.31Å; L25-V28 WeakPolarHBondContact O-CG2 3.45Å; L25-V28 PolarHBondContact O-N 2.96Å; L25-F176 HydrophobicContact CD2-CE2 4.23Å; L25-F176 HydrophobicContact CD2-CZ 4.21Å; L25-L220 HydrophobicContact CD1-CD2 4.09Å; L25-L220 HydrophobicContact CD1-CG 4.27Å; L25-I221 HydrophobicContact CB-CD1 3.56Å; L25-I221 HydrophobicContact CB-CG1 3.71Å; L25-I221 HydrophobicContact CD1-CD1 4.23Å; L25-I221 HydrophobicContact CD1-CG1 3.39Å; L25-I221 HydrophobicContact CG-CG1 4.16Å; L25-Y237 WeakPolarHBondContact O-CE2 3.39Å; L25-I279 HydrophobicContact CD1-CD1 4.18Å; L25-I279 HydrophobicContact CD2-CD1 3.46Å; L25-I279 VanDerWaalsContact CD2-CD1 3.46Å; L25-I279 HydrophobicContact CG-CD1 3.63Å
26C91Very high91.3Very high0 Ų034.2 Ų34.20%016%0.159CC..Hα-helixtrans-56.2-37.9172.7-81.80000113.2F22 L24 V28 S29 F240F22-C26 WeakPolarHBondContact CE2-SG 3.37Å; F22-C26 WeakPolarHBondContact CZ-SG 3.47Å; F22-C26 WeakPolarHBondContact O-CB 3.31Å; F22-C26 PolarHBondContact O-N 2.98Å; F22-C26 PolarHBondContact O-SG 2.82Å; F22-C26 VanDerWaalsContact O-SG 3.35Å; L24-C26 PolarHBondContact O-N 2.68Å; C26-V28 PolarHBondContact O-N 2.9Å; C26-V28 VanDerWaalsContact O-N 3.16Å; C26-S29 VanDerWaalsContact O-CB 3.23Å; C26-S29 WeakPolarHBondContact O-CB 3.31Å; C26-S29 PolarHBondContact O-N 3.43Å; C26-F240 HydrophobicContact CB-CB 4.42Å; C26-F240 HydrophobicContact CB-CD1 3.74Å; C26-F240 HydrophobicContact CB-CD2 3.78Å; C26-F240 HydrophobicContact CB-CE1 3.84Å; C26-F240 HydrophobicContact CB-CE2 3.86Å; C26-F240 HydrophobicContact CB-CG 3.72Å; C26-F240 HydrophobicContact CB-CZ 3.89Å; C26-F240 WeakPolarHBondContact O-CB 3.39Å; C26-F240 WeakPolarHBondContact O-CD1 3.42Å
27M92.1Very high91.6Very high85 Ų8525.8 Ų25.842%0.41913%0.127SC..Hα-helixtrans-60.8-25.4177.1-65.7-64.1179.900112.8A23 L24 L25 S29 M30 P31 F240 F272A23-M27 PolarHBondContact O-N 3.13Å; L24-M27 WeakPolarHBondContact O-CB 3.29Å; L24-M27 PolarHBondContact O-N 3.28Å; L25-M27 VanDerWaalsContact C-N 3.26Å; L25-M27 PolarHBondContact O-N 3.35Å; M27-S29 PolarHBondContact O-N 3.14Å; M27-M30 PolarHBondContact O-N 3.15Å; M27-M30 HydrophobicContact SD-CE 3.67Å; M27-M30 HydrophobicContact SD-SD 4.01Å; M27-P31 VanDerWaalsContact O-CD 3.26Å; M27-P31 WeakPolarHBondContact O-CD 3.35Å; M27-F240 HydrophobicContact CE-CE1 4.12Å; M27-F240 HydrophobicContact SD-CD1 4.38Å; M27-F240 HydrophobicContact SD-CE1 3.96Å; M27-F272 HydrophobicContact CB-CE1 4.25Å; M27-F272 HydrophobicContact CB-CZ 4.49Å; M27-F272 WeakPolarHBondContact O-CZ 3.47Å
28V90.3Very high91.7Very high5 Ų525.5 Ų25.53%0.0313%0.125CC..THydrogen-bonded Turntrans-71.6-21.6178.4-170.70000112.2L25 C26 M30 P31 F176 F272 Y275L25-V28 VanDerWaalsContact O-CB 3.28Å; L25-V28 WeakPolarHBondContact O-CB 3.31Å; L25-V28 WeakPolarHBondContact O-CG2 3.45Å; L25-V28 PolarHBondContact O-N 2.96Å; C26-V28 PolarHBondContact O-N 2.9Å; C26-V28 VanDerWaalsContact O-N 3.16Å; V28-M30 VanDerWaalsContact C-N 3.32Å; V28-P31 WeakPolarHBondContact O-CD 3.26Å; V28-F176 HydrophobicContact CB-CE2 4.34Å; V28-F176 HydrophobicContact CB-CZ 4.43Å; V28-F176 HydrophobicContact CG1-CE2 3.78Å; V28-F176 HydrophobicContact CG1-CZ 4.04Å; V28-F176 HydrophobicContact CG2-CE2 4.03Å; V28-F176 HydrophobicContact CG2-CZ 3.68Å; V28-F272 HydrophobicContact CB-CD2 4.21Å; V28-F272 HydrophobicContact CB-CE2 4.01Å; V28-F272 HydrophobicContact CB-CZ 4.38Å; V28-F272 HydrophobicContact CG1-CD2 3.84Å; V28-F272 HydrophobicContact CG1-CE2 3.88Å; V28-F272 HydrophobicContact CG2-CD1 4.14Å; V28-F272 HydrophobicContact CG2-CD2 3.9Å; V28-F272 HydrophobicContact CG2-CE1 4.24Å; V28-F272 HydrophobicContact CG2-CE2 4.01Å; V28-F272 HydrophobicContact CG2-CG 3.99Å; V28-F272 HydrophobicContact CG2-CZ 4.19Å; V28-Y275 HydrophobicContact CG2-CD2 4.35Å; V28-Y275 HydrophobicContact CG2-CE2 3.74Å
29S90.9Very high91.8Very high0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-72-26.9177.6-1540000112C26 M27 W32 W214 Y237C26-S29 VanDerWaalsContact O-CB 3.23Å; C26-S29 WeakPolarHBondContact O-CB 3.31Å; C26-S29 PolarHBondContact O-N 3.43Å; M27-S29 PolarHBondContact O-N 3.14Å; S29-W32 WeakPolarHBondContact O-CB 3.37Å; S29-W32 PolarHBondContact O-N 2.95Å; S29-W214 PolarHBondContact OG-NE1 3.21Å; S29-Y237 WeakPolarHBondContact CB-O 3.47Å; S29-Y237 PolarHBondContact OG-O 2.97Å
30M93.4Very high91.9Very high40 Ų4020.2 Ų20.220%0.19710%0.102CC..Hα-helixtrans-65.9-50.7-176.7-54.9179.5169.800113.2M27 V28 W32 A33 F240 V243 I247M27-M30 PolarHBondContact O-N 3.15Å; M27-M30 HydrophobicContact SD-CE 3.67Å; M27-M30 HydrophobicContact SD-SD 4.01Å; V28-M30 VanDerWaalsContact C-N 3.32Å; M30-W32 PolarHBondContact O-N 3.16Å; M30-A33 WeakPolarHBondContact O-CB 3.38Å; M30-A33 PolarHBondContact O-N 3.22Å; M30-A33 VanDerWaalsContact O-N 3.13Å; M30-F240 HydrophobicContact CE-CD1 3.32Å; M30-F240 HydrophobicContact CE-CE1 3.58Å; M30-F240 HydrophobicContact CE-CG 4.4Å; M30-F240 HydrophobicContact CG-CB 4.45Å; M30-F240 HydrophobicContact CG-CD1 4.17Å; M30-F240 VanDerWaalsContact CG-O 3.32Å; M30-F240 WeakPolarHBondContact CG-O 3.33Å; M30-F240 HydrophobicContact SD-CD1 4.48Å; M30-V243 HydrophobicContact CE-CB 4.26Å; M30-V243 HydrophobicContact CE-CG1 3.67Å; M30-V243 HydrophobicContact SD-CG1 4.29Å; M30-I247 HydrophobicContact SD-CD1 4.31Å
31P93Very high91.8Very high15 Ų1515.9 Ų15.910%0.0979%0.086CC..Hα-helixtrans-66.1-22.7-177.6-23.738000113.2M27 V28 A33 G34 V35 P268 Y269 F272M27-P31 VanDerWaalsContact O-CD 3.26Å; M27-P31 WeakPolarHBondContact O-CD 3.35Å; V28-P31 WeakPolarHBondContact O-CD 3.26Å; P31-A33 PolarHBondContact O-N 3.43Å; P31-G34 PolarHBondContact O-N 2.93Å; P31-V35 WeakPolarHBondContact O-CG2 3.47Å; P31-V35 PolarHBondContact O-N 3.27Å; P31-V35 VanDerWaalsContact O-N 3.16Å; P31-P268 HydrophobicContact CB-CB 4.22Å; P31-P268 HydrophobicContact CB-CG 4.47Å; P31-P268 HydrophobicContact CG-CB 3.49Å; P31-P268 VanDerWaalsContact CG-CB 3.49Å; P31-P268 HydrophobicContact CG-CG 3.96Å; P31-Y269 HydrophobicContact CB-CD2 4.4Å; P31-Y269 HydrophobicContact CB-CE1 4.49Å; P31-Y269 HydrophobicContact CB-CE2 3.71Å; P31-F272 HydrophobicContact CG-CE2 3.88Å; P31-F272 HydrophobicContact CG-CZ 4.05Å
32W93.1Very high91.8Very high31 Ų3115.8 Ų15.812%0.1179%0.086CC..Hα-helixtrans-59.1-34.4174.9179.836.7000112.1S29 M30 V35 Y36 V210 W214 F241 Y269S29-W32 WeakPolarHBondContact O-CB 3.37Å; S29-W32 PolarHBondContact O-N 2.95Å; M30-W32 PolarHBondContact O-N 3.16Å; W32-V35 PolarHBondContact O-N 3.05Å; W32-Y36 WeakPolarHBondContact O-CB 3.41Å; W32-Y36 PolarHBondContact O-N 3.3Å; W32-V210 HydrophobicContact CB-CG1 4.46Å; W32-V210 HydrophobicContact CG-CG1 4.1Å; W32-W214 AromaticContact CD2-CD1 3.92Å; W32-W214 HydrophobicContact CD2-CD2 4.21Å; W32-W214 HydrophobicContact CD2-CG 4.06Å; W32-W214 AromaticContact CE3-CD1 3.57Å; W32-W214 AromaticContact CE3-CD2 3.74Å; W32-W214 HydrophobicContact CE3-CD2 3.74Å; W32-W214 AromaticContact CE3-CE2 3.3Å; W32-W214 AromaticContact CE3-CG 3.92Å; W32-W214 HydrophobicContact CE3-CG 3.92Å; W32-W214 AromaticContact CE3-CZ2 3.83Å; W32-W214 HydrophobicContact CE3-CZ2 3.83Å; W32-W214 AromaticContact CE3-NE1 3.18Å; W32-W214 HydrophobicContact CH2-CD2 4.13Å; W32-W214 HydrophobicContact CH2-CE3 4.12Å; W32-W214 AromaticContact CH2-CH2 3.97Å; W32-W214 HydrophobicContact CH2-CH2 3.97Å; W32-W214 AromaticContact CH2-CZ2 3.97Å; W32-W214 HydrophobicContact CH2-CZ2 3.97Å; W32-W214 HydrophobicContact CH2-CZ3 4.05Å; W32-W214 AromaticContact CZ3-CD2 3.72Å; W32-W214 HydrophobicContact CZ3-CD2 3.72Å; W32-W214 AromaticContact CZ3-CE2 3.21Å; W32-W214 HydrophobicContact CZ3-CE3 4.13Å; W32-W214 HydrophobicContact CZ3-CG 4.38Å; W32-W214 AromaticContact CZ3-CH2 3.72Å; W32-W214 HydrophobicContact CZ3-CH2 3.72Å; W32-W214 AromaticContact CZ3-CZ2 3.24Å; W32-W214 HydrophobicContact CZ3-CZ2 3.24Å; W32-W214 HydrophobicContact CZ3-CZ3 4.13Å; W32-W214 AromaticContact CZ3-NE1 3.62Å; W32-F241 HydrophobicContact CB-CD2 4.24Å; W32-F241 AromaticContact CD2-CD2 3.73Å; W32-F241 HydrophobicContact CD2-CD2 3.73Å; W32-F241 AromaticContact CD2-CE2 3.67Å; W32-F241 HydrophobicContact CD2-CE2 3.67Å; W32-F241 HydrophobicContact CE3-CB 4.31Å; W32-F241 AromaticContact CE3-CD2 3.14Å; W32-F241 HydrophobicContact CE3-CD2 3.14Å; W32-F241 AromaticContact CE3-CE2 3.46Å; W32-F241 HydrophobicContact CE3-CE2 3.46Å; W32-F241 VanDerWaalsContact CE3-CE2 3.46Å; W32-F241 AromaticContact CE3-CG 3.88Å; W32-F241 HydrophobicContact CE3-CG 3.88Å; W32-F241 HydrophobicContact CE3-CZ 4.43Å; W32-F241 HydrophobicContact CG-CD2 4.19Å; W32-F241 HydrophobicContact CG-CE2 4.13Å; W32-F241 HydrophobicContact CH2-CE2 4.44Å; W32-F241 AromaticContact CZ3-CD2 3.69Å; W32-F241 HydrophobicContact CZ3-CD2 3.69Å; W32-F241 AromaticContact CZ3-CE2 3.86Å; W32-F241 HydrophobicContact CZ3-CE2 3.86Å; W32-F241 HydrophobicContact CZ3-CG 4.07Å; W32-F241 HydrophobicContact CZ3-CZ 4.43Å; W32-Y269 WeakPolarHBondContact CA-OH 3.42Å; W32-Y269 PolarHBondContact N-OH 3.46Å
33A92.5Very high91.6Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-57.9-50.1172.100000111.3M30 P31 V35 Y36 V37 F241 I245M30-A33 WeakPolarHBondContact O-CB 3.38Å; M30-A33 PolarHBondContact O-N 3.22Å; M30-A33 VanDerWaalsContact O-N 3.13Å; P31-A33 PolarHBondContact O-N 3.43Å; A33-V35 PolarHBondContact O-N 3.35Å; A33-Y36 PolarHBondContact O-N 2.98Å; A33-Y36 VanDerWaalsContact O-N 3.1Å; A33-V37 HydrophobicContact CB-CG2 4.5Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.13Å; A33-F241 HydrophobicContact CB-CD2 3.82Å; A33-F241 HydrophobicContact CB-CE2 3.82Å; A33-F241 HydrophobicContact CB-CG 4.48Å; A33-F241 HydrophobicContact CB-CZ 4.42Å; A33-F241 WeakPolarHBondContact CB-O 3.38Å; A33-I245 HydrophobicContact CB-CG1 3.71Å
34G92.8Very high91.4Very high5 Ų513.6 Ų13.65%0.0527%0.067CC..Hα-helixtrans-54.6-38.8175.700000112.8P31 G38P31-G34 PolarHBondContact O-N 2.93Å; G34-G38 WeakPolarHBondContact O-CA 3.14Å; G34-G38 PolarHBondContact O-N 3.25Å
35V94.1Very high91Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-69-46.6176.1-176.80000112.3P31 W32 A33 L152 F156 R203 Y206 V210 I265 Y269P31-V35 WeakPolarHBondContact O-CG2 3.47Å; P31-V35 PolarHBondContact O-N 3.27Å; P31-V35 VanDerWaalsContact O-N 3.16Å; W32-V35 PolarHBondContact O-N 3.05Å; A33-V35 PolarHBondContact O-N 3.35Å; V35-L152 HydrophobicContact CG1-CD1 3.89Å; V35-L152 HydrophobicContact CG1-CD2 4.3Å; V35-L152 WeakPolarHBondContact O-CD2 3.2Å; V35-F156 HydrophobicContact CG1-CZ 4.26Å; V35-R203 PolarHBondContact O-NH2 2.89Å; V35-Y206 HydrophobicContact CB-CE1 3.89Å; V35-Y206 HydrophobicContact CG1-CD1 3.69Å; V35-Y206 HydrophobicContact CG1-CE1 3.42Å; V35-Y206 VanDerWaalsContact CG1-CE1 3.42Å; V35-Y206 HydrophobicContact CG2-CD1 4.38Å; V35-Y206 HydrophobicContact CG2-CE1 3.33Å; V35-Y206 VanDerWaalsContact CG2-CZ 3.43Å; V35-Y206 WeakPolarHBondContact CG2-OH 3.45Å; V35-V210 HydrophobicContact CB-CG1 4.27Å; V35-V210 HydrophobicContact CG1-CB 4.43Å; V35-V210 HydrophobicContact CG1-CG1 4.2Å; V35-V210 HydrophobicContact CG1-CG2 4.16Å; V35-V210 HydrophobicContact CG2-CG1 4.31Å; V35-V210 HydrophobicContact CG2-CG2 4.09Å; V35-I265 HydrophobicContact CG2-CG2 4.05Å; V35-Y269 HydrophobicContact CG2-CE2 4.07Å
36Y91.9Very high90.8Very high16 Ų1615.5 Ų15.56%0.0638%0.081CC..Hα-helixtrans-73.1-46.4-171.7-169.4-114.2000112.6W32 A33 Q149 F156 F241 Y356 Q357W32-Y36 WeakPolarHBondContact O-CB 3.41Å; W32-Y36 PolarHBondContact O-N 3.3Å; A33-Y36 PolarHBondContact O-N 2.98Å; A33-Y36 VanDerWaalsContact O-N 3.1Å; Y36-Q149 PolarHBondContact O-NE2 3.18Å; Y36-F156 AromaticContact CD2-CE2 3.62Å; Y36-F156 HydrophobicContact CD2-CE2 3.62Å; Y36-F156 HydrophobicContact CD2-CZ 4.2Å; Y36-F156 HydrophobicContact CE2-CE2 4.02Å; Y36-F241 AromaticContact CD1-CZ 3.97Å; Y36-F241 HydrophobicContact CD1-CZ 3.97Å; Y36-F241 HydrophobicContact CG-CZ 4.48Å; Y36-Y356 HydrophobicContact CD1-CE1 4.46Å; Y36-Y356 HydrophobicContact CE1-CD1 4.05Å; Y36-Y356 AromaticContact CE1-CE1 3.84Å; Y36-Y356 HydrophobicContact CE1-CE1 3.84Å; Y36-Q357 PolarHBondContact OH-OE1 2.94Å
37V91.4Very high90.5Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-108.7-4.4-174-620000114.1A33 I39 V40 I245 L248 I360 F374A33-V37 HydrophobicContact CB-CG2 4.5Å; A33-V37 WeakPolarHBondContact O-CG2 3.48Å; A33-V37 PolarHBondContact O-N 3.13Å; V37-I39 PolarHBondContact O-N 3.38Å; V37-V40 PolarHBondContact O-N 3.41Å; V37-I245 HydrophobicContact CG2-CG1 4.15Å; V37-L248 HydrophobicContact CG2-CD2 3.65Å; V37-I360 HydrophobicContact CB-CG2 4.02Å; V37-I360 HydrophobicContact CG1-CD1 3.56Å; V37-I360 HydrophobicContact CG1-CG1 4.39Å; V37-I360 HydrophobicContact CG1-CG2 3.79Å; V37-F374 HydrophobicContact CB-CE2 4.48Å; V37-F374 HydrophobicContact CB-CZ 3.9Å; V37-F374 HydrophobicContact CG2-CE1 4.41Å; V37-F374 HydrophobicContact CG2-CZ 3.71Å
38G90.7Very high90.3Very high0 Ų018.1 Ų18.10%010%0.096CC..THydrogen-bonded Turntrans-55.8-23.6-179.900000115.4G34 V40 F41 Q42G34-G38 WeakPolarHBondContact O-CA 3.14Å; G34-G38 PolarHBondContact O-N 3.25Å; G38-V40 PolarHBondContact O-N 3.31Å; G38-V40 VanDerWaalsContact O-N 3.15Å; G38-F41 PolarHBondContact O-N 3.48Å; G38-Q42 WeakPolarHBondContact O-CG 3.27Å; G38-Q42 PolarHBondContact O-N 2.95Å
39I91.8Very high90.2Very high1 Ų119.7 Ų19.71%0.00510%0.102CC..Hα-helixtrans-55.3-32.5176.9-172.6168.3000113.3V37 F41 Q42 G43 F131 Y148 Q149 M361V37-I39 PolarHBondContact O-N 3.38Å; I39-F41 PolarHBondContact O-N 3.27Å; I39-Q42 PolarHBondContact O-N 3.4Å; I39-G43 WeakPolarHBondContact O-CA 3.31Å; I39-G43 PolarHBondContact O-N 3.48Å; I39-F131 HydrophobicContact CG1-CE1 4.44Å; I39-Y148 HydrophobicContact CD1-CD1 3.84Å; I39-Y148 HydrophobicContact CG1-CD1 4.27Å; I39-Q149 HydrophobicContact CD1-CB 3.63Å; I39-Q149 HydrophobicContact CD1-CG 4.33Å; I39-M361 HydrophobicContact CD1-CE 3.84Å; I39-M361 HydrophobicContact CG2-CE 3.87Å
40V90.6Very high90.1Very high4 Ų420.2 Ų20.22%0.02411%0.105CC..Hα-helixtrans-60-31.9179.5176.10000111.6V37 G38 I360 V370 F374V37-V40 PolarHBondContact O-N 3.41Å; G38-V40 PolarHBondContact O-N 3.31Å; G38-V40 VanDerWaalsContact O-N 3.15Å; V40-I360 HydrophobicContact CG2-CG2 3.9Å; V40-V370 HydrophobicContact CG1-CG1 3.72Å; V40-F374 HydrophobicContact CB-CE2 4.17Å; V40-F374 HydrophobicContact CG1-CD2 4.13Å; V40-F374 HydrophobicContact CG1-CE2 4.25Å; V40-F374 HydrophobicContact CG2-CE2 4.13Å
41F91Very high89.7Confident16 Ų1624.3 Ų24.37%0.0712%0.118CC..Hα-helixtrans-98.7-34.6178.7-60.2-73.2000112.8G38 I39 L248 P249 A252 L261 V370 Y371 F374G38-F41 PolarHBondContact O-N 3.48Å; I39-F41 PolarHBondContact O-N 3.27Å; F41-L248 HydrophobicContact CD2-CD1 4.45Å; F41-L248 HydrophobicContact CD2-CD2 3.87Å; F41-L248 HydrophobicContact CD2-CG 3.79Å; F41-L248 HydrophobicContact CE2-CD2 3.89Å; F41-L248 HydrophobicContact CE2-CG 3.83Å; F41-P249 HydrophobicContact CE1-CB 4.33Å; F41-P249 HydrophobicContact CE2-CB 4.43Å; F41-P249 HydrophobicContact CZ-CB 3.74Å; F41-A252 HydrophobicContact CB-CB 3.78Å; F41-A252 HydrophobicContact CD1-CB 3.49Å; F41-A252 VanDerWaalsContact CD1-CB 3.49Å; F41-A252 HydrophobicContact CD2-CB 4.11Å; F41-A252 HydrophobicContact CE1-CB 4.11Å; F41-A252 HydrophobicContact CG-CB 3.5Å; F41-L261 HydrophobicContact CB-CD2 3.83Å; F41-V370 HydrophobicContact CE1-CG1 4.03Å; F41-Y371 HydrophobicContact CD1-CD1 4.26Å; F41-Y371 AromaticContact CD1-CE1 3.91Å; F41-Y371 HydrophobicContact CD1-CE1 3.91Å; F41-Y371 AromaticContact CE1-CD1 3.67Å; F41-Y371 HydrophobicContact CE1-CD1 3.67Å; F41-Y371 AromaticContact CE1-CE1 3.8Å; F41-Y371 HydrophobicContact CE1-CE1 3.8Å; F41-F374 HydrophobicContact CE2-CD1 4.05Å; F41-F374 HydrophobicContact CE2-CD2 4.07Å; F41-F374 HydrophobicContact CE2-CE1 4.05Å; F41-F374 HydrophobicContact CE2-CE2 4.08Å; F41-F374 HydrophobicContact CE2-CG 4.04Å; F41-F374 HydrophobicContact CE2-CZ 4.07Å; F41-F374 HydrophobicContact CZ-CB 3.98Å; F41-F374 HydrophobicContact CZ-CD1 4.06Å; F41-F374 HydrophobicContact CZ-CD2 4.04Å; F41-F374 AromaticContact CZ-CG 3.77Å; F41-F374 HydrophobicContact CZ-CG 3.77Å
42Q91.4Very high89.3Confident0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-77.1-30.3-178.8-67173.7-29.600112.9G38 I39 S130 F131 W258 L261G38-Q42 WeakPolarHBondContact O-CG 3.27Å; G38-Q42 PolarHBondContact O-N 2.95Å; I39-Q42 PolarHBondContact O-N 3.4Å; Q42-S130 WeakPolarHBondContact O-CA 3.23Å; Q42-S130 VanDerWaalsContact O-CB 3.23Å; Q42-S130 WeakPolarHBondContact O-CB 3.41Å; Q42-F131 HydrophobicContact CB-CD1 4.17Å; Q42-F131 HydrophobicContact CB-CE1 4.32Å; Q42-F131 WeakPolarHBondContact O-CD1 3.39Å; Q42-F131 PolarHBondContact O-N 2.91Å; Q42-W258 HydrophobicContact CB-CB 4.25Å; Q42-W258 HydrophobicContact CG-CB 4.41Å; Q42-L261 HydrophobicContact CG-CD2 4.1Å
43G86.9Confident88.9Confident2 Ų224.9 Ų24.92%0.02113%0.127CC..SBendtrans-121.429.5-17100000113.8I39 V132I39-G43 WeakPolarHBondContact O-CA 3.31Å; I39-G43 PolarHBondContact O-N 3.48Å; G43-V132 WeakPolarHBondContact O-CG2 3.18Å
44F86.6Confident88.4Confident23 Ų2326 Ų2610%0.10114%0.136CC..  trans-64.8141.2172.982.1-88.2000109.6P46 R128 S130F44-P46 HydrophobicContact CD2-CB 4.43Å; F44-P46 HydrophobicContact CD2-CG 4.42Å; F44-P46 HydrophobicContact CE2-CB 3.85Å; F44-P46 HydrophobicContact CE2-CG 3.8Å; F44-P46 VanDerWaalsContact O-CD 3.31Å; F44-P46 WeakPolarHBondContact O-CD 3.28Å; F44-R128 HydrophobicContact CE1-CB 3.52Å; F44-R128 HydrophobicContact CE2-CB 4.33Å; F44-R128 HydrophobicContact CZ-CB 3.33Å; F44-S130 VanDerWaalsContact O-CB 3.27Å; F44-S130 WeakPolarHBondContact O-CB 3.44Å; F44-S130 PolarHBondContact O-OG 2.7Å
45T85.3Confident87.8Confident73 Ų7325.9 Ų25.945%0.44814%0.135SC..  trans-101.3105.3176.7-540000108.2V132 V138T45-V132 HydrophobicContact CG2-CG1 4.22Å; T45-V138 HydrophobicContact CG2-CG1 3.86Å
46P85.5Confident87.4Confident10 Ų1026.8 Ų26.87%0.06514%0.14CC..  trans-67.8165.2172.319.9-21.7000111.6F44 H48 Y123 D124 T133F44-P46 HydrophobicContact CD2-CB 4.43Å; F44-P46 HydrophobicContact CD2-CG 4.42Å; F44-P46 HydrophobicContact CE2-CB 3.85Å; F44-P46 HydrophobicContact CE2-CG 3.8Å; F44-P46 VanDerWaalsContact O-CD 3.31Å; F44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-H48 PolarHBondContact O-N 2.84Å; P46-H48 PolarHBondContact O-ND1 3.14Å; P46-Y123 HydrophobicContact CG-CD1 3.96Å; P46-Y123 HydrophobicContact CG-CG 4.43Å; P46-D124 WeakPolarHBondContact CB-O 3.28Å; P46-T133 HydrophobicContact CG-CG2 3.26Å
47D85.6Confident87Confident117 Ų11732.4 Ų32.463%0.62617%0.167SC*.  trans-58.3132.6166.8-71.5-26.1000109.5W49 D124D47-W49 HydrophobicContact CB-CH2 3.53Å; D47-W49 HydrophobicContact CB-CZ2 4.08Å; D47-W49 HydrophobicContact CB-CZ3 4.06Å; D47-D124 HydrophobicContact CB-CB 4.49Å; D47-D124 PolarHBondContact O-N 2.97Å
48H88.2Confident86.5Confident23 Ų2334 Ų3411%0.10617%0.173CC..EExtended strand (participates in β ladder)trans-141151.6-171.157.1-84.2000110.8P46 S87 W121 E122 Y123 C139P46-H48 PolarHBondContact O-N 2.84Å; P46-H48 PolarHBondContact O-ND1 3.14Å; H48-S87 WeakPolarHBondContact O-CA 3.49Å; H48-S87 WeakPolarHBondContact O-CB 3.35Å; H48-W121 AromaticContact CD2-CE3 3.84Å; H48-W121 AromaticContact CD2-CZ3 3.82Å; H48-E122 WeakPolarHBondContact CA-O 3.42Å; H48-Y123 HydrophobicContact CB-CD1 3.5Å; H48-Y123 VanDerWaalsContact CB-CD1 3.5Å; H48-Y123 HydrophobicContact CB-CE1 3.61Å; H48-Y123 HydrophobicContact CB-CG 4.49Å; H48-C139 PolarHBondContact NE2-SG 3.49Å; H48-C139 VanDerWaalsContact NE2-SG 3.42Å
49W87.8Confident86.2Confident37 Ų3735.6 Ų35.614%0.1418%0.179CC..EExtended strand (participates in β ladder)trans-139.9159.5176.6-59.1-85.7000110.1D47 R51 R70 W121 E122 D124D47-W49 HydrophobicContact CB-CH2 3.53Å; D47-W49 HydrophobicContact CB-CZ2 4.08Å; D47-W49 HydrophobicContact CB-CZ3 4.06Å; W49-R51 PolarHBondContact O-N 2.95Å; W49-R70 HydrophobicContact CD2-CG 4.42Å; W49-R70 HydrophobicContact CG-CG 4.37Å; W49-R70 VanDerWaalsContact CH2-NH1 3.28Å; W49-W121 WeakPolarHBondContact O-CA 3.46Å; W49-E122 PolarHBondContact N-O 3.32Å; W49-E122 PolarHBondContact O-N 3.05Å; W49-D124 HydrophobicContact CH2-CB 4.42Å; W49-D124 HydrophobicContact CZ3-CB 4.1Å
50C87.8Confident85.8Confident11 Ų1142.7 Ų42.77%0.07421%0.212CC..EExtended strand (participates in β ladder)trans-57.7131.4171.3-60.90000110.3L89 R90 C117C50-L89 VanDerWaalsContact SG-C 3.55Å; C50-R90 HydrophobicContact CB-CB 3.9Å; C50-R90 HydrophobicContact CB-CG 4.31Å; C50-C117 WeakPolarHBondContact CA-SG 3.45Å; C50-C117 HydrophobicContact CB-CB 3.67Å; C50-C117 WeakPolarHBondContact CB-SG 3.4Å; C50-C117 WeakPolarHBondContact SG-CB 3.3Å; C50-C117 CovalentContact SG-SG 2.01Å; C50-C117 PolarHBondContact SG-SG 3.04Å
51R85.6Confident85.5Confident126 Ų12646.6 Ų46.648%0.47525%0.245SC..  trans-77.4133.8166.1-173.3176.9-179.3-178.9-0.5109W49 V56 G120W49-R51 PolarHBondContact O-N 2.95Å; R51-V56 HydrophobicContact CG-CG2 4.44Å; R51-G120 WeakPolarHBondContact CB-O 3.48Å; R51-G120 PolarHBondContact N-O 3.43Å
52D85.3Confident85.1Confident9 Ų947.5 Ų47.55%0.04825%0.253CS..  trans-125.5114170.3178.7-32.1000107.1A54 A55 V56 T73 R90 W95D52-A54 VanDerWaalsContact C-N 3.29Å; D52-A54 PolarHBondContact O-N 3.44Å; D52-A54 PolarHBondContact OD1-N 2.84Å; D52-A55 HydrophobicContact CB-CB 3.71Å; D52-A55 WeakPolarHBondContact O-CB 3.36Å; D52-A55 PolarHBondContact O-N 3.45Å; D52-A55 PolarHBondContact OD1-N 3.36Å; D52-A55 VanDerWaalsContact OD1-N 3.11Å; D52-V56 WeakPolarHBondContact O-CG2 3.33Å; D52-V56 PolarHBondContact O-N 3.15Å; D52-T73 HydrophobicContact CB-CG2 4.31Å; D52-R90 IonicContact OD2-NH1 3.69Å; D52-W95 PolarHBondContact OD1-NE1 2.93Å; D52-W95 PolarHBondContact OD2-NE1 2.79Å
53S84.1Confident84.7Confident50 Ų5050.7 Ų50.735%0.3529%0.285SS..Hα-helixtrans-60.5-37.4-174.555.10000112.9V56 Q57 E119S53-V56 PolarHBondContact O-N 3.06Å; S53-Q57 WeakPolarHBondContact O-CG 3.3Å; S53-Q57 PolarHBondContact O-N 3.45Å; S53-E119 VanDerWaalsContact CB-OE2 3.23Å; S53-E119 WeakPolarHBondContact CB-OE2 3.44Å; S53-E119 PolarHBondContact N-OE2 3.24Å; S53-E119 PolarHBondContact OG-OE2 2.84Å
54A81.9Confident84.5Confident24 Ų2451.8 Ų51.820%0.19829%0.289CS..Hα-helixtrans-72.2-37.7177.600000111.4D52 V56 Q57 R58 W95D52-A54 VanDerWaalsContact C-N 3.29Å; D52-A54 PolarHBondContact O-N 3.44Å; D52-A54 PolarHBondContact OD1-N 2.84Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 3.3Å; A54-Q57 PolarHBondContact O-N 3.29Å; A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 WeakPolarHBondContact O-CG 3.45Å; A54-R58 PolarHBondContact O-N 3.15Å; A54-W95 HydrophobicContact CB-CB 4.12Å; A54-W95 HydrophobicContact CB-CD2 3.97Å; A54-W95 HydrophobicContact CB-CG 3.51Å
55A81.3Confident84.3Confident2 Ų253.2 Ų53.22%0.01730%0.302CS..Hα-helixtrans-62.6-38.4172.700000112.5D52 R59 T73 W95D52-A55 HydrophobicContact CB-CB 3.71Å; D52-A55 WeakPolarHBondContact O-CB 3.36Å; D52-A55 PolarHBondContact O-N 3.45Å; D52-A55 PolarHBondContact OD1-N 3.36Å; D52-A55 VanDerWaalsContact OD1-N 3.11Å; A55-R59 WeakPolarHBondContact O-CB 3.35Å; A55-R59 PolarHBondContact O-N 2.96Å; A55-T73 HydrophobicContact CB-CG2 3.75Å; A55-W95 HydrophobicContact CB-CH2 3.95Å; A55-W95 HydrophobicContact CB-CZ2 3.47Å; A55-W95 VanDerWaalsContact CB-CZ2 3.47Å
56V84.1Confident84.1Confident18 Ų1855 Ų5511%0.10930%0.3CS..Hα-helixtrans-69.2-44.5177.8173.70000111.2R51 D52 S53 A54 R58 R59 E60R51-V56 HydrophobicContact CG-CG2 4.44Å; D52-V56 WeakPolarHBondContact O-CG2 3.33Å; D52-V56 PolarHBondContact O-N 3.15Å; S53-V56 PolarHBondContact O-N 3.06Å; A54-V56 VanDerWaalsContact C-N 3.32Å; A54-V56 PolarHBondContact O-N 3.3Å; V56-R58 VanDerWaalsContact C-N 3.34Å; V56-R58 PolarHBondContact O-N 3.39Å; V56-R59 WeakPolarHBondContact O-CB 3.24Å; V56-R59 PolarHBondContact O-N 3.16Å; V56-E60 PolarHBondContact O-N 3.27Å; V56-E60 VanDerWaalsContact O-N 3.1Å
57Q84.4Confident83.9Confident134 Ų13461 Ų6163%0.62633%0.328SS*.Hα-helixtrans-61.4-42.7176.4-72.2173.21700111.7S53 A54 R59 E60 A61S53-Q57 WeakPolarHBondContact O-CG 3.3Å; S53-Q57 PolarHBondContact O-N 3.45Å; A54-Q57 PolarHBondContact O-N 3.29Å; Q57-R59 VanDerWaalsContact C-N 3.34Å; Q57-R59 PolarHBondContact O-N 3.02Å; Q57-E60 PolarHBondContact O-N 3.13Å; Q57-A61 WeakPolarHBondContact O-CB 3.02Å; Q57-A61 PolarHBondContact O-N 3.21Å
58R79.9Confident83.5Confident34 Ų3459.3 Ų59.313%0.12832%0.316CS..Hα-helixtrans-59.7-43.9173.5-78.4-94.4-174.2159.10.5112.6A54 V56 E60 A61 C62 W64 W95 T98 E99 S101A54-R58 WeakPolarHBondContact O-CB 3.33Å; A54-R58 WeakPolarHBondContact O-CG 3.45Å; A54-R58 PolarHBondContact O-N 3.15Å; V56-R58 VanDerWaalsContact C-N 3.34Å; V56-R58 PolarHBondContact O-N 3.39Å; R58-E60 VanDerWaalsContact C-N 3.27Å; R58-E60 PolarHBondContact O-N 3.25Å; R58-A61 PolarHBondContact O-N 3.24Å; R58-C62 WeakPolarHBondContact O-CB 3.47Å; R58-C62 PolarHBondContact O-N 3.28Å; R58-W64 HydrophobicContact CB-CE3 4.32Å; R58-W64 HydrophobicContact CB-CZ3 3.97Å; R58-W95 HydrophobicContact CB-CZ3 4.33Å; R58-W95 HydrophobicContact CG-CE3 3.84Å; R58-W95 HydrophobicContact CG-CZ3 3.75Å; R58-W95 PolarHBondContact NH2-O 2.83Å; R58-W95 VanDerWaalsContact NH2-O 3.14Å; R58-T98 PolarHBondContact NH1-O 2.76Å; R58-T98 PolarHBondContact NH2-O 3.03Å; R58-T98 PolarHBondContact NH2-OG1 2.99Å; R58-E99 VanDerWaalsContact NH2-N 3.16Å; R58-S101 PolarHBondContact NH1-O 3.06Å
59R84.4Confident83.1Confident33 Ų3358.5 Ų58.513%0.12531%0.313CS..Hα-helixtrans-58.1-43.2178-175.1179.766-168.25.8111.1A55 V56 Q57 G63 W64 E122A55-R59 WeakPolarHBondContact O-CB 3.35Å; A55-R59 PolarHBondContact O-N 2.96Å; V56-R59 WeakPolarHBondContact O-CB 3.24Å; V56-R59 PolarHBondContact O-N 3.16Å; Q57-R59 VanDerWaalsContact C-N 3.34Å; Q57-R59 PolarHBondContact O-N 3.02Å; R59-G63 CarbonylContact O-C 3.56Å; R59-G63 VanDerWaalsContact O-CA 3.32Å; R59-G63 WeakPolarHBondContact O-CA 3.4Å; R59-G63 PolarHBondContact O-N 2.69Å; R59-W64 HydrophobicContact CB-CB 4.49Å; R59-W64 HydrophobicContact CG-CB 4.12Å; R59-W64 WeakPolarHBondContact CG-O 3.32Å; R59-W64 PolarHBondContact O-N 3.31Å; R59-W64 VanDerWaalsContact O-N 3.09Å; R59-E122 IonicContact CZ-OE1 3.2Å; R59-E122 VanDerWaalsContact CZ-OE1 3.25Å; R59-E122 VanDerWaalsContact NH1-CD 3.27Å; R59-E122 IonicContact NH1-OE1 3.28Å; R59-E122 PolarHBondContact NH1-OE1 2.9Å; R59-E122 IonicContact NH1-OE2 3.89Å; R59-E122 PolarHBondContact NH1-OE2 2.8Å; R59-E122 IonicContact NH2-OE1 3.51Å; R59-E122 PolarHBondContact NH2-OE1 3.12Å
60E85Confident82.7Confident150 Ų15057.9 Ų57.970%0.70131%0.31SS*.Hα-helixtrans-69.7-40.6176.7-69.1176.4-17800112.4V56 Q57 R58V56-E60 PolarHBondContact O-N 3.27Å; V56-E60 VanDerWaalsContact O-N 3.1Å; Q57-E60 PolarHBondContact O-N 3.13Å; R58-E60 VanDerWaalsContact C-N 3.27Å; R58-E60 PolarHBondContact O-N 3.25Å
61A84.4Confident82.3Confident87 Ų8759.1 Ų59.172%0.71932%0.319SS*.Hα-helixtrans-71.8-42.1-17900000113.8Q57 R58Q57-A61 WeakPolarHBondContact O-CB 3.02Å; Q57-A61 PolarHBondContact O-N 3.21Å; R58-A61 PolarHBondContact O-N 3.24Å
62C82.1Confident81.9Confident35 Ų3553.7 Ų53.724%0.23630%0.3CS..Hα-helixtrans-94.9-6.1-177.2-63.10000113.3R58 W64 C102R58-C62 WeakPolarHBondContact O-CB 3.47Å; R58-C62 PolarHBondContact O-N 3.28Å; C62-W64 VanDerWaalsContact C-N 3.35Å; C62-W64 HydrophobicContact CB-CD2 4.23Å; C62-W64 HydrophobicContact CB-CG 4.18Å; C62-C102 HydrophobicContact CB-CB 3.69Å; C62-C102 WeakPolarHBondContact CB-SG 3.03Å; C62-C102 WeakPolarHBondContact SG-CB 3.2Å; C62-C102 CovalentContact SG-SG 2.05Å; C62-C102 PolarHBondContact SG-SG 3.09Å
63G83.1Confident81.6Confident66 Ų6653.8 Ų53.868%0.6830%0.3SS*.THydrogen-bonded Turntrans69.128.5-178.300000114.2R59R59-G63 CarbonylContact O-C 3.56Å; R59-G63 VanDerWaalsContact O-CA 3.32Å; R59-G63 WeakPolarHBondContact O-CA 3.4Å; R59-G63 PolarHBondContact O-N 2.69Å
64W82.1Confident81.5Confident25 Ų2551.7 Ų51.710%0.09529%0.286CS..  trans-68.2149.1179.7-65-18.6000112.2R58 R59 C62 E68 L72 W95 C102 P104R58-W64 HydrophobicContact CB-CE3 4.32Å; R58-W64 HydrophobicContact CB-CZ3 3.97Å; R59-W64 HydrophobicContact CB-CB 4.49Å; R59-W64 HydrophobicContact CG-CB 4.12Å; R59-W64 WeakPolarHBondContact CG-O 3.32Å; R59-W64 PolarHBondContact O-N 3.31Å; R59-W64 VanDerWaalsContact O-N 3.09Å; C62-W64 VanDerWaalsContact C-N 3.35Å; C62-W64 HydrophobicContact CB-CD2 4.23Å; C62-W64 HydrophobicContact CB-CG 4.18Å; W64-E68 HydrophobicContact CB-CB 4.35Å; W64-L72 HydrophobicContact CE3-CD1 4.16Å; W64-L72 HydrophobicContact CH2-CD1 3.74Å; W64-L72 HydrophobicContact CZ3-CD1 3.47Å; W64-L72 VanDerWaalsContact CZ3-CD1 3.47Å; W64-W95 HydrophobicContact CH2-CZ3 4.47Å; W64-W95 HydrophobicContact CZ3-CH2 4.36Å; W64-W95 HydrophobicContact CZ3-CZ3 4.28Å; W64-C102 WeakPolarHBondContact CZ2-O 3.41Å; W64-C102 PolarHBondContact NE1-O 3.19Å; W64-P104 HydrophobicContact CZ2-CB 4.36Å
65S83.6Confident81.6Confident53 Ų5350.7 Ų50.737%0.37128%0.278SS..  trans-70.8158.616767.30000111.3E67 E68 S69S65-E67 PolarHBondContact O-N 3.36Å; S65-E68 WeakPolarHBondContact CB-OE2 3.02Å; S65-E68 PolarHBondContact N-OE2 3.37Å; S65-E68 PolarHBondContact O-N 3.41Å; S65-E68 WeakPolarHBondContact OG-CG 3.34Å; S65-E68 PolarHBondContact OG-N 3.4Å; S65-E68 PolarHBondContact OG-OE2 3.36Å; S65-S69 PolarHBondContact O-N 2.86Å
66R80.6Confident81.5Confident110 Ų11054.9 Ų54.942%0.41530%0.299SS..Hα-helixtrans-58.2-36.3174.2-69.2-172.3173175.8-3.7111.9R70R66-R70 WeakPolarHBondContact O-CB 3.37Å; R66-R70 WeakPolarHBondContact O-CD 3.44Å; R66-R70 WeakPolarHBondContact O-CG 3.15Å; R66-R70 PolarHBondContact O-N 2.91Å
67E79.9Confident81.2Confident138 Ų13857.2 Ų57.265%0.64531%0.311SS*.Hα-helixtrans-68.6-38.5-179.3-66.2-175.4176.400112.9S65 R70 S71S65-E67 PolarHBondContact O-N 3.36Å; E67-R70 PolarHBondContact O-N 2.88Å; E67-S71 WeakPolarHBondContact O-CB 3.25Å; E67-S71 PolarHBondContact O-N 2.9Å
68E78.4Confident80.7Confident81 Ų8156.2 Ų56.238%0.37931%0.31SS..Hα-helixtrans-64.9-46.4175.8-73.9162.2145.600110.8W64 S65 R70 S71 L72W64-E68 HydrophobicContact CB-CB 4.35Å; S65-E68 WeakPolarHBondContact CB-OE2 3.02Å; S65-E68 PolarHBondContact N-OE2 3.37Å; S65-E68 PolarHBondContact O-N 3.41Å; S65-E68 WeakPolarHBondContact OG-CG 3.34Å; S65-E68 PolarHBondContact OG-N 3.4Å; S65-E68 PolarHBondContact OG-OE2 3.36Å; E68-R70 PolarHBondContact O-N 2.95Å; E68-S71 WeakPolarHBondContact O-CB 3.16Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-S71 PolarHBondContact O-OG 3.18Å; E68-L72 PolarHBondContact O-N 3.35Å
69S79.3Confident80.1Confident5 Ų558.5 Ų58.54%0.03532%0.324CS..Hα-helixtrans-59.8-45.8174.3-179.50000111.9S65 S71 L72 T73S65-S69 PolarHBondContact O-N 2.86Å; S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 3.26Å; S69-L72 PolarHBondContact O-N 3.35Å; S69-T73 PolarHBondContact O-N 3.47Å; S69-T73 PolarHBondContact O-OG1 3.42Å
70R78.6Confident79Confident24 Ų2462.7 Ų62.79%0.09136%0.358CS..Hα-helixtrans-60.6-33.8175.3-72.6167.7-171.1174.20.8112.3W49 R66 E67 E68 L72 A74 D124W49-R70 HydrophobicContact CD2-CG 4.42Å; W49-R70 HydrophobicContact CG-CG 4.37Å; W49-R70 VanDerWaalsContact CH2-NH1 3.28Å; R66-R70 WeakPolarHBondContact O-CB 3.37Å; R66-R70 WeakPolarHBondContact O-CD 3.44Å; R66-R70 WeakPolarHBondContact O-CG 3.15Å; R66-R70 PolarHBondContact O-N 2.91Å; E67-R70 PolarHBondContact O-N 2.88Å; E68-R70 PolarHBondContact O-N 2.95Å; R70-L72 PolarHBondContact O-N 2.96Å; R70-A74 VanDerWaalsContact O-CB 3.29Å; R70-A74 WeakPolarHBondContact O-CB 3.32Å; R70-A74 PolarHBondContact O-N 3.22Å; R70-D124 IonicContact NH1-OD2 3.16Å; R70-D124 IonicContact NH2-OD2 3.15Å; R70-D124 PolarHBondContact NH2-OD2 3.21Å
71S79.7Confident78Confident37 Ų3758.5 Ų58.526%0.25936%0.355SS..Hα-helixtrans-67.4-24.8-179.779.70000113.7E67 E68 S69E67-S71 WeakPolarHBondContact O-CB 3.25Å; E67-S71 PolarHBondContact O-N 2.9Å; E68-S71 WeakPolarHBondContact O-CB 3.16Å; E68-S71 PolarHBondContact O-N 3.09Å; E68-S71 VanDerWaalsContact O-N 3.14Å; E68-S71 PolarHBondContact O-OG 3.18Å; S69-S71 VanDerWaalsContact C-N 3.25Å; S69-S71 PolarHBondContact O-N 3.26Å
72L77.1Confident77.3Confident13 Ų1358.7 Ų58.77%0.06835%0.347CS..Hα-helixtrans-87.3-38.5179.6-69.4164.6000111.9W64 E68 S69 R70 P104 T107W64-L72 HydrophobicContact CE3-CD1 4.16Å; W64-L72 HydrophobicContact CH2-CD1 3.74Å; W64-L72 HydrophobicContact CZ3-CD1 3.47Å; W64-L72 VanDerWaalsContact CZ3-CD1 3.47Å; E68-L72 PolarHBondContact O-N 3.35Å; S69-L72 PolarHBondContact O-N 3.35Å; R70-L72 PolarHBondContact O-N 2.96Å; L72-P104 HydrophobicContact CD1-CB 3.97Å; L72-P104 HydrophobicContact CD2-CB 4.36Å; L72-P104 WeakPolarHBondContact CD2-O 3.49Å; L72-P104 HydrophobicContact CG-CB 4.39Å; L72-T107 HydrophobicContact CD2-CG2 4.23Å
73T78.7Confident76.8Confident10 Ų1062.6 Ų62.66%0.06137%0.365CS..Hα-helixtrans-96.6-28-171.256.60000113.9D52 A55 S69 R90 Y91 W95D52-T73 HydrophobicContact CB-CG2 4.31Å; A55-T73 HydrophobicContact CB-CG2 3.75Å; S69-T73 PolarHBondContact O-N 3.47Å; S69-T73 PolarHBondContact O-OG1 3.42Å; T73-R90 CarbonylContact O-C 3.48Å; T73-R90 VanDerWaalsContact O-CA 3.23Å; T73-R90 WeakPolarHBondContact O-CA 3.47Å; T73-Y91 PolarHBondContact O-N 3.19Å; T73-W95 HydrophobicContact CG2-CZ2 4.16Å
74A83.3Confident76.4Confident6 Ų665.2 Ų65.25%0.0536%0.36CS..SBendtrans-97.9123.9-174.400000112.6R70 R85R70-A74 VanDerWaalsContact O-CB 3.29Å; R70-A74 WeakPolarHBondContact O-CB 3.32Å; R70-A74 PolarHBondContact O-N 3.22Å; A74-R85 HydrophobicContact CB-CB 4.22Å
75P83.3Confident76.2Confident3 Ų368.9 Ų68.92%0.01937%0.373CS..PPolyproline II helixtrans-71.3145.5179.529.6-32.8000112.6R85 S86 L89 Y91 T114P75-R85 CarbonylContact O-C 3.58Å; P75-R85 WeakPolarHBondContact O-CA 3.35Å; P75-S86 PolarHBondContact O-N 3.49Å; P75-L89 WeakPolarHBondContact CD-O 3.32Å; P75-L89 HydrophobicContact CG-CB 3.75Å; P75-Y91 VanDerWaalsContact CA-CZ 3.44Å; P75-Y91 WeakPolarHBondContact CA-OH 3.23Å; P75-Y91 HydrophobicContact CB-CD1 4.36Å; P75-Y91 HydrophobicContact CB-CD2 4.35Å; P75-Y91 HydrophobicContact CB-CE1 3.77Å; P75-Y91 HydrophobicContact CB-CE2 3.78Å; P75-Y91 VanDerWaalsContact CB-CZ 3.43Å; P75-T114 HydrophobicContact CB-CG2 4.16Å; P75-T114 HydrophobicContact CG-CG2 4.28Å
76L80.4Confident76.1Confident91 Ų9166.9 Ų66.948%0.47636%0.36SS..EExtended strand (participates in β ladder)trans-83.8116.2172.2-69.8164000109.2L83 R85L76-L83 HydrophobicContact CB-CD2 3.87Å; L76-L83 HydrophobicContact CB-CG 4.46Å; L76-L83 HydrophobicContact CD1-CD2 3.99Å; L76-L83 HydrophobicContact CD2-CD2 4.4Å; L76-L83 HydrophobicContact CG-CD2 4.3Å; L76-R85 HydrophobicContact CD2-CG 3.57Å; L76-R85 HydrophobicContact CG-CG 4.39Å
77L76.1Confident76.2Confident67 Ų6763.6 Ų63.635%0.35135%0.354SS..EExtended strand (participates in β ladder)trans-105.5143.3173.7-66175.6000109.5I79 Q84 L89L77-I79 HydrophobicContact CB-CG1 4.12Å; L77-I79 PolarHBondContact O-N 3.21Å; L77-Q84 PolarHBondContact N-O 2.9Å; L77-Q84 PolarHBondContact O-N 3.29Å; L77-L89 HydrophobicContact CD1-CD1 4.24Å
78N75.3Confident76.5Confident113 Ų11359 Ų5960%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-84.697.5168.7-171.7-7.1000108.3G81 V82N78-G81 VanDerWaalsContact OD1-C 3.32Å; N78-G81 WeakPolarHBondContact OD1-CA 3.35Å; N78-G81 PolarHBondContact OD1-N 3.44Å; N78-V82 PolarHBondContact OD1-N 2.83Å
79I66.1Low76.8Confident81 Ų8158 Ų5842%0.41533%0.333SS..EExtended strand (participates in β ladder)trans-101.7120.2174.5-56175.8000106.1L77 G81 V82L77-I79 HydrophobicContact CB-CG1 4.12Å; L77-I79 PolarHBondContact O-N 3.21Å; I79-G81 PolarHBondContact O-N 2.83Å; I79-V82 PolarHBondContact N-O 3.49Å; I79-V82 PolarHBondContact O-N 2.6Å; I79-V82 VanDerWaalsContact O-O 3.09Å
80S62.9Low77.1Confident121 Ų12159.2 Ų59.285%0.84634%0.337SS*.THydrogen-bonded Turntrans50.930.6176.352.70000116
81G62.7Low77.3Confident63 Ų6361 Ų6165%0.64934%0.344SS*.THydrogen-bonded Turntrans89.71.4178.500000114.6N78 I79N78-G81 VanDerWaalsContact OD1-C 3.32Å; N78-G81 WeakPolarHBondContact OD1-CA 3.35Å; N78-G81 PolarHBondContact OD1-N 3.44Å; I79-G81 PolarHBondContact O-N 2.83Å
82V70Confident77.2Confident90 Ų9063.8 Ų63.855%0.54535%0.353SS..EExtended strand (participates in β ladder)trans-112.6130.6175.8-177.50000108.9N78 I79 Q84N78-V82 PolarHBondContact OD1-N 2.83Å; I79-V82 PolarHBondContact N-O 3.49Å; I79-V82 PolarHBondContact O-N 2.6Å; I79-V82 VanDerWaalsContact O-O 3.09Å; V82-Q84 PolarHBondContact O-N 3.32Å
83L72.5Confident77.2Confident118 Ų11864 Ų6462%0.61836%0.355SS*.EExtended strand (participates in β ladder)trans-71.8108.8170-109.589.7000108.7L76L76-L83 HydrophobicContact CB-CD2 3.87Å; L76-L83 HydrophobicContact CB-CG 4.46Å; L76-L83 HydrophobicContact CD1-CD2 3.99Å; L76-L83 HydrophobicContact CD2-CD2 4.4Å; L76-L83 HydrophobicContact CG-CD2 4.3Å
84Q73.9Confident76.9Confident120 Ų12068.2 Ų68.256%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-124.1144.9175.3-168.6171-3.100109.5L77 V82L77-Q84 PolarHBondContact N-O 2.9Å; L77-Q84 PolarHBondContact O-N 3.29Å; V82-Q84 PolarHBondContact O-N 3.32Å
85R78.8Confident76.5Confident102 Ų10269.3 Ų69.339%0.38538%0.38SS..EExtended strand (participates in β ladder)trans-68.7136.1174.6-71-176.7178.1128.21.7109.8A74 P75 L76A74-R85 HydrophobicContact CB-CB 4.22Å; P75-R85 CarbonylContact O-C 3.58Å; P75-R85 WeakPolarHBondContact O-CA 3.35Å; L76-R85 HydrophobicContact CD2-CG 3.57Å; L76-R85 HydrophobicContact CG-CG 4.39Å
86S80.9Confident75.8Confident11 Ų1174.6 Ų74.68%0.07741%0.408CS..  trans-65.2133.3172.7-168.60000110.3P75 C88 L89P75-S86 PolarHBondContact O-N 3.49Å; S86-C88 PolarHBondContact OG-N 3.34Å; S86-L89 PolarHBondContact OG-N 3.38Å
87S82.9Confident75Confident42 Ų4275.8 Ų75.829%0.29442%0.419SS..SBendtrans-80.1-25.4169.654.90000112.4H48 W121H48-S87 WeakPolarHBondContact O-CA 3.49Å; H48-S87 WeakPolarHBondContact O-CB 3.35Å; S87-W121 WeakPolarHBondContact O-CZ3 3.46Å
88C86Confident74.2Confident42 Ų4273.4 Ų73.428%0.28441%0.407SS..SBendtrans-108.6-6.4-167.2-61.50000115.3S86 C139S86-C88 PolarHBondContact OG-N 3.34Å; C88-C139 WeakPolarHBondContact CA-SG 3.41Å; C88-C139 HydrophobicContact CB-CB 3.7Å; C88-C139 WeakPolarHBondContact CB-SG 3.35Å; C88-C139 WeakPolarHBondContact SG-CB 3.49Å; C88-C139 CovalentContact SG-SG 2.02Å; C88-C139 PolarHBondContact SG-SG 3.29Å
89L85Confident73.3Confident60 Ų6075.1 Ų75.131%0.31441%0.412SS..EExtended strand (participates in β ladder)trans-122.7151.9-179.4-63175.2000109.7C50 P75 L77 S86C50-L89 VanDerWaalsContact SG-C 3.55Å; P75-L89 WeakPolarHBondContact CD-O 3.32Å; P75-L89 HydrophobicContact CG-CB 3.75Å; L77-L89 HydrophobicContact CD1-CD1 4.24Å; S86-L89 PolarHBondContact OG-N 3.38Å
90R85.2Confident72.7Confident30 Ų3076.8 Ų76.811%0.11343%0.431CS..EExtended strand (participates in β ladder)trans-129.5154.7171.463.6-178.5-170116.2-4.2111.5C50 D52 T73 T114 A115 T118C50-R90 HydrophobicContact CB-CB 3.9Å; C50-R90 HydrophobicContact CB-CG 4.31Å; D52-R90 IonicContact OD2-NH1 3.69Å; T73-R90 CarbonylContact O-C 3.48Å; T73-R90 VanDerWaalsContact O-CA 3.23Å; T73-R90 WeakPolarHBondContact O-CA 3.47Å; R90-T114 CarbonylContact O-C 3.54Å; R90-T114 WeakPolarHBondContact O-CA 3.32Å; R90-A115 PolarHBondContact N-O 3.26Å; R90-A115 PolarHBondContact O-N 3.15Å; R90-T118 PolarHBondContact NH2-OG1 3.42Å; R90-T118 VanDerWaalsContact NH2-OG1 3.17Å
91Y82.8Confident72.8Confident60 Ų6072.5 Ų72.524%0.23540%0.4CS..EExtended strand (participates in β ladder)trans-73.7139.2161.8-69-59.7000109.9T73 P75 V93 N112 T114T73-Y91 PolarHBondContact O-N 3.19Å; P75-Y91 VanDerWaalsContact CA-CZ 3.44Å; P75-Y91 WeakPolarHBondContact CA-OH 3.23Å; P75-Y91 HydrophobicContact CB-CD1 4.36Å; P75-Y91 HydrophobicContact CB-CD2 4.35Å; P75-Y91 HydrophobicContact CB-CE1 3.77Å; P75-Y91 HydrophobicContact CB-CE2 3.78Å; P75-Y91 VanDerWaalsContact CB-CZ 3.43Å; Y91-V93 PolarHBondContact O-N 3.29Å; Y91-N112 HydrophobicContact CD1-CB 4.17Å; Y91-T114 HydrophobicContact CD1-CG2 4.06Å; Y91-T114 HydrophobicContact CE1-CG2 4.03Å
92E77.9Confident73.1Confident96 Ų9672.9 Ų72.945%0.44939%0.392SS..  trans-78.3100.9164.1-67.5-172.9164.200108.5N112 P113 A115E92-N112 WeakPolarHBondContact O-CB 3.46Å; E92-N112 VanDerWaalsContact O-CG 3.28Å; E92-N112 PolarHBondContact O-ND2 3.43Å; E92-P113 HydrophobicContact CB-CG 4.19Å; E92-P113 PolarHBondContact N-O 3.11Å; E92-P113 WeakPolarHBondContact OE2-CG 3.39Å; E92-A115 HydrophobicContact CG-CB 3.82Å; E92-A115 WeakPolarHBondContact OE1-CB 3.44Å
93V75.8Confident72.9Confident18 Ų1872.1 Ų72.111%0.10939%0.385CS..  trans-96.6125.6177.1-177.40000108.6Y91 W95 T107Y91-V93 PolarHBondContact O-N 3.29Å; V93-W95 HydrophobicContact CB-CZ2 4.37Å; V93-W95 HydrophobicContact CG1-CD2 4.21Å; V93-W95 HydrophobicContact CG1-CZ2 4.29Å; V93-W95 VanDerWaalsContact O-CD1 3.28Å; V93-W95 PolarHBondContact O-N 3.25Å; V93-T107 HydrophobicContact CG1-CG2 4.1Å
94D74.1Confident72.4Confident98 Ų9867.7 Ų67.752%0.52436%0.363SS..  trans-81.999171.4-168.7-7.2000110N96 V97D94-N96 PolarHBondContact O-N 3.37Å; D94-N96 WeakPolarHBondContact OD1-CB 3.4Å; D94-N96 PolarHBondContact OD1-N 2.99Å; D94-V97 PolarHBondContact O-N 2.97Å
95W72.9Confident71.7Confident29 Ų2971.9 Ų71.911%0.1137%0.374CS..THydrogen-bonded Turntrans-69.8-16.2-175.1-68.5100.4000114D52 A54 A55 R58 W64 T73 V93 T98D52-W95 PolarHBondContact OD1-NE1 2.93Å; D52-W95 PolarHBondContact OD2-NE1 2.79Å; A54-W95 HydrophobicContact CB-CB 4.12Å; A54-W95 HydrophobicContact CB-CD2 3.97Å; A54-W95 HydrophobicContact CB-CG 3.51Å; A55-W95 HydrophobicContact CB-CH2 3.95Å; A55-W95 HydrophobicContact CB-CZ2 3.47Å; A55-W95 VanDerWaalsContact CB-CZ2 3.47Å; R58-W95 HydrophobicContact CB-CZ3 4.33Å; R58-W95 HydrophobicContact CG-CE3 3.84Å; R58-W95 HydrophobicContact CG-CZ3 3.75Å; R58-W95 PolarHBondContact NH2-O 2.83Å; R58-W95 VanDerWaalsContact NH2-O 3.14Å; W64-W95 HydrophobicContact CH2-CZ3 4.47Å; W64-W95 HydrophobicContact CZ3-CH2 4.36Å; W64-W95 HydrophobicContact CZ3-CZ3 4.28Å; T73-W95 HydrophobicContact CG2-CZ2 4.16Å; V93-W95 HydrophobicContact CB-CZ2 4.37Å; V93-W95 HydrophobicContact CG1-CD2 4.21Å; V93-W95 HydrophobicContact CG1-CZ2 4.29Å; V93-W95 VanDerWaalsContact O-CD1 3.28Å; V93-W95 PolarHBondContact O-N 3.25Å; W95-T98 WeakPolarHBondContact CA-OG1 2.99Å; W95-T98 PolarHBondContact O-N 3.32Å; W95-T98 PolarHBondContact O-OG1 3.41Å
96N68.9Low70.5Confident115 Ų11573 Ų7362%0.61538%0.384SS*.THydrogen-bonded Turntrans-69.7-35.6179.5-69.1-19.4000112.2D94 T98 E99D94-N96 PolarHBondContact O-N 3.37Å; D94-N96 WeakPolarHBondContact OD1-CB 3.4Å; D94-N96 PolarHBondContact OD1-N 2.99Å; N96-T98 VanDerWaalsContact C-N 3.3Å; N96-E99 WeakPolarHBondContact O-CG 3.23Å
97V63.6Low69.4Low115 Ų11573.2 Ų73.270%0.69739%0.385SS*.THydrogen-bonded Turntrans-72.2-30.7179.1-178.30000111D94 E99D94-V97 PolarHBondContact O-N 2.97Å; V97-E99 VanDerWaalsContact C-N 3.33Å; V97-E99 PolarHBondContact O-N 2.48Å
98T59.5Low68Low17 Ų1779.1 Ų79.110%0.10441%0.407CS..THydrogen-bonded Turntrans-82.80.8-179.446.50000114.3R58 W95 N96 S100 S101 T107R58-T98 PolarHBondContact NH1-O 2.76Å; R58-T98 PolarHBondContact NH2-O 3.03Å; R58-T98 PolarHBondContact NH2-OG1 2.99Å; W95-T98 WeakPolarHBondContact CA-OG1 2.99Å; W95-T98 PolarHBondContact O-N 3.32Å; W95-T98 PolarHBondContact O-OG1 3.41Å; N96-T98 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 3.23Å; T98-S101 PolarHBondContact O-N 3.47Å; T98-T107 HydrophobicContact CG2-CG2 3.92Å
99E56.3Low66.5Low150 Ų15086 Ų8670%0.70143%0.427SS*.THydrogen-bonded Turntrans-53.5-21.6-168.9-86.7-172.1164.900115.6R58 N96 V97R58-E99 VanDerWaalsContact NH2-N 3.16Å; N96-E99 WeakPolarHBondContact O-CG 3.23Å; V97-E99 VanDerWaalsContact C-N 3.33Å; V97-E99 PolarHBondContact O-N 2.48Å
100S55Low64.9Low116 Ų11685.5 Ų85.581%0.81144%0.437SS*.THydrogen-bonded Turntrans-96.8-10.9-171.353.40000116.2T98T98-S100 PolarHBondContact O-N 3.23Å
101S63.3Low63.6Low30 Ų3088.9 Ų88.921%0.2147%0.472CS..  trans-135.2138-177.975.50000114.8R58 T98 D103 E106R58-S101 PolarHBondContact NH1-O 3.06Å; T98-S101 PolarHBondContact O-N 3.47Å; S101-D103 VanDerWaalsContact C-N 3.3Å; S101-E106 WeakPolarHBondContact CB-OE2 3.38Å; S101-E106 PolarHBondContact OG-OE2 2.65Å
102C69.6Low63Low72 Ų7288.5 Ų88.549%0.48647%0.474SS..  trans-90.712.7172-78.10000112.1C62 W64 P104C62-C102 HydrophobicContact CB-CB 3.69Å; C62-C102 WeakPolarHBondContact CB-SG 3.03Å; C62-C102 WeakPolarHBondContact SG-CB 3.2Å; C62-C102 CovalentContact SG-SG 2.05Å; C62-C102 PolarHBondContact SG-SG 3.09Å; W64-C102 WeakPolarHBondContact CZ2-O 3.41Å; W64-C102 PolarHBondContact NE1-O 3.19Å; C102-P104 VanDerWaalsContact O-CD 3.3Å; C102-P104 WeakPolarHBondContact O-CD 3.47Å
103D66.3Low63Low74 Ų7487.6 Ų87.640%0.39648%0.476SS..  trans-90.5111.7178.5-163.4-22.6000110.3S101 R105 E106S101-D103 VanDerWaalsContact C-N 3.3Å; D103-R105 PolarHBondContact O-N 3.11Å; D103-R105 WeakPolarHBondContact OD1-CB 3.46Å; D103-R105 PolarHBondContact OD1-N 3.16Å; D103-R105 VanDerWaalsContact OD1-N 3.08Å; D103-E106 HydrophobicContact CB-CG 4.26Å; D103-E106 PolarHBondContact O-N 3.02Å
104P61.1Low63.3Low24 Ų2490.6 Ų90.616%0.15650%0.495CS..THydrogen-bonded Turntrans-65.7-3.7179.626.4-33.8000113.8W64 L72 C102W64-P104 HydrophobicContact CZ2-CB 4.36Å; L72-P104 HydrophobicContact CD1-CB 3.97Å; L72-P104 HydrophobicContact CD2-CB 4.36Å; L72-P104 WeakPolarHBondContact CD2-O 3.49Å; L72-P104 HydrophobicContact CG-CB 4.39Å; C102-P104 VanDerWaalsContact O-CD 3.3Å; C102-P104 WeakPolarHBondContact O-CD 3.47Å
105R58.9Low63.7Low208 Ų20887 Ų8779%0.78548%0.478SS*.THydrogen-bonded Turntrans-89.8-19.1177.1-65178.9174.6176.10.6114D103D103-R105 PolarHBondContact O-N 3.11Å; D103-R105 WeakPolarHBondContact OD1-CB 3.46Å; D103-R105 PolarHBondContact OD1-N 3.16Å; D103-R105 VanDerWaalsContact OD1-N 3.08Å
106E54.7Low64.2Low126 Ų12687.5 Ų87.559%0.58949%0.492SS*.SBendtrans-85.9-13.8-178.8-68.4-172.8160.100113.3S101 D103 E108S101-E106 WeakPolarHBondContact CB-OE2 3.38Å; S101-E106 PolarHBondContact OG-OE2 2.65Å; D103-E106 HydrophobicContact CB-CG 4.26Å; D103-E106 PolarHBondContact O-N 3.02Å; E106-E108 PolarHBondContact O-N 2.76Å; E106-E108 VanDerWaalsContact O-N 3.15Å
107T57.8Low65Low16 Ų1683.3 Ų83.310%0.09847%0.472CS..SBendtrans-71.1108.5171.8-43.80000109L72 V93 T98 R109L72-T107 HydrophobicContact CD2-CG2 4.23Å; V93-T107 HydrophobicContact CG1-CG2 4.1Å; T98-T107 HydrophobicContact CG2-CG2 3.92Å; T107-R109 PolarHBondContact O-N 3.38Å
108E53.3Low65.8Low165 Ų16582.9 Ų82.977%0.77147%0.47SS*.  trans-54.5115.1178.6-72.5-165.7159.100110.3E106 G110E106-E108 PolarHBondContact O-N 2.76Å; E106-E108 VanDerWaalsContact O-N 3.15Å; E108-G110 PolarHBondContact O-N 3.05Å
109R54.6Low66.9Low186 Ų18686.1 Ų86.170%0.70248%0.484SS*.  trans-74.42.9176.1-62.4179.1-165.4176.22.7112.8T107T107-R109 PolarHBondContact O-N 3.38Å
110G51.2Low68.3Low50 Ų5080 Ų8052%0.51546%0.462SS..SBendtrans-85.5111.3-168.600000112.7E108 N112E108-G110 PolarHBondContact O-N 3.05Å; G110-N112 PolarHBondContact O-N 3.39Å
111A58.4Low69.8Low102 Ų10276.3 Ų76.384%0.84343%0.43SS*.  trans61.625.816100000118.1
112N70.1Confident71Confident51 Ų5176.4 Ų76.427%0.27343%0.427SS..PPolyproline II helixtrans-63.3133.6167.5-72.5-5.5000110.1Y91 E92 G110Y91-N112 HydrophobicContact CD1-CB 4.17Å; E92-N112 WeakPolarHBondContact O-CB 3.46Å; E92-N112 VanDerWaalsContact O-CG 3.28Å; E92-N112 PolarHBondContact O-ND2 3.43Å; G110-N112 PolarHBondContact O-N 3.39Å
113P78Confident71.8Confident77 Ų7773.1 Ų73.150%0.540%0.404SS..PPolyproline II helixtrans-61.6144.6175.925.9-31.5000110E92E92-P113 HydrophobicContact CB-CG 4.19Å; E92-P113 PolarHBondContact N-O 3.11Å; E92-P113 WeakPolarHBondContact OE2-CG 3.39Å
114T81.8Confident72.7Confident82 Ų8271.9 Ų71.950%0.50340%0.398SS..EExtended strand (participates in β ladder)trans-91.7130.4176.253.80000109.9P75 R90 Y91P75-T114 HydrophobicContact CB-CG2 4.16Å; P75-T114 HydrophobicContact CG-CG2 4.28Å; R90-T114 CarbonylContact O-C 3.54Å; R90-T114 WeakPolarHBondContact O-CA 3.32Å; Y91-T114 HydrophobicContact CD1-CG2 4.06Å; Y91-T114 HydrophobicContact CE1-CG2 4.03Å
115A83.2Confident73.5Confident21 Ų2175.5 Ų75.517%0.17441%0.409CS..EExtended strand (participates in β ladder)trans-122.5161.9175.900000111.5R90 E92R90-A115 PolarHBondContact N-O 3.26Å; R90-A115 PolarHBondContact O-N 3.15Å; E92-A115 HydrophobicContact CG-CB 3.82Å; E92-A115 WeakPolarHBondContact OE1-CB 3.44Å
116G83Confident74.3Confident40 Ų4071.3 Ų71.341%0.41240%0.402SS..EExtended strand (participates in β ladder)trans-69.3161.5168.500000111.7T118G116-T118 PolarHBondContact O-N 3.05Å
117C84.4Confident75.5Confident27 Ų2768 Ų6818%0.18240%0.402CS..  trans-70.9123.2175.9-41.60000110.3C50 W121C50-C117 WeakPolarHBondContact CA-SG 3.45Å; C50-C117 HydrophobicContact CB-CB 3.67Å; C50-C117 WeakPolarHBondContact CB-SG 3.4Å; C50-C117 WeakPolarHBondContact SG-CB 3.3Å; C50-C117 CovalentContact SG-SG 2.01Å; C50-C117 PolarHBondContact SG-SG 3.04Å; C117-W121 HydrophobicContact CB-CE3 4.45Å; C117-W121 HydrophobicContact CB-CH2 3.83Å; C117-W121 HydrophobicContact CB-CZ2 3.97Å; C117-W121 HydrophobicContact CB-CZ3 4.11Å; C117-W121 WeakPolarHBondContact SG-CH2 3.48Å; C117-W121 WeakPolarHBondContact SG-CZ3 3.37Å
118T81.3Confident76.7Confident107 Ų10769.9 Ų69.966%0.65641%0.408SS*.  trans-113-21.4-179.850.10000113.4R90 G116R90-T118 PolarHBondContact NH2-OG1 3.42Å; R90-T118 VanDerWaalsContact NH2-OG1 3.17Å; G116-T118 PolarHBondContact O-N 3.05Å
119E82.3Confident78.3Confident84 Ų8466.8 Ų66.839%0.39339%0.393SS..SBendtrans-10523.8-174.2-59-174.8-179.700112.9S53S53-E119 VanDerWaalsContact CB-OE2 3.23Å; S53-E119 WeakPolarHBondContact CB-OE2 3.44Å; S53-E119 PolarHBondContact N-OE2 3.24Å; S53-E119 PolarHBondContact OG-OE2 2.84Å
120G84.9Confident80.1Confident23 Ų2357.9 Ų57.924%0.23736%0.359CS..  trans84.7-159.2-178.200000113.6R51R51-G120 WeakPolarHBondContact CB-O 3.48Å; R51-G120 PolarHBondContact N-O 3.43Å
121W88.4Confident82.1Confident38 Ų3855.5 Ų55.514%0.14434%0.335CS..EExtended strand (participates in β ladder)trans-129.1149.7-168.7-56.393.7000112.2H48 W49 S87 C117 Y123 V138 C139H48-W121 AromaticContact CD2-CE3 3.84Å; H48-W121 AromaticContact CD2-CZ3 3.82Å; W49-W121 WeakPolarHBondContact O-CA 3.46Å; S87-W121 WeakPolarHBondContact O-CZ3 3.46Å; C117-W121 HydrophobicContact CB-CE3 4.45Å; C117-W121 HydrophobicContact CB-CH2 3.83Å; C117-W121 HydrophobicContact CB-CZ2 3.97Å; C117-W121 HydrophobicContact CB-CZ3 4.11Å; C117-W121 WeakPolarHBondContact SG-CH2 3.48Å; C117-W121 WeakPolarHBondContact SG-CZ3 3.37Å; W121-Y123 HydrophobicContact CB-CD2 4.33Å; W121-Y123 HydrophobicContact CB-CE1 4.16Å; W121-Y123 HydrophobicContact CB-CE2 3.59Å; W121-Y123 VanDerWaalsContact CB-CZ 3.47Å; W121-Y123 WeakPolarHBondContact CB-OH 3.37Å; W121-V138 HydrophobicContact CD2-CG2 3.33Å; W121-V138 HydrophobicContact CE3-CG2 3.64Å; W121-V138 HydrophobicContact CG-CG2 3.82Å; W121-V138 HydrophobicContact CH2-CG2 3.98Å; W121-V138 HydrophobicContact CZ2-CG2 3.68Å; W121-V138 HydrophobicContact CZ3-CG2 3.93Å; W121-C139 HydrophobicContact CH2-CB 3.59Å; W121-C139 WeakPolarHBondContact CH2-SG 3.15Å; W121-C139 HydrophobicContact CZ2-CB 4.08Å; W121-C139 HydrophobicContact CZ3-CB 4.42Å; W121-C139 WeakPolarHBondContact CZ3-SG 3.41Å
122E87Confident83.6Confident31 Ų3150.7 Ų50.715%0.14530%0.295CS..EExtended strand (participates in β ladder)trans-112.5119.6167-170.3169.1-143.100108.7H48 W49 R59H48-E122 WeakPolarHBondContact CA-O 3.42Å; W49-E122 PolarHBondContact N-O 3.32Å; W49-E122 PolarHBondContact O-N 3.05Å; R59-E122 IonicContact CZ-OE1 3.2Å; R59-E122 VanDerWaalsContact CZ-OE1 3.25Å; R59-E122 VanDerWaalsContact NH1-CD 3.27Å; R59-E122 IonicContact NH1-OE1 3.28Å; R59-E122 PolarHBondContact NH1-OE1 2.9Å; R59-E122 IonicContact NH1-OE2 3.89Å; R59-E122 PolarHBondContact NH1-OE2 2.8Å; R59-E122 IonicContact NH2-OE1 3.51Å; R59-E122 PolarHBondContact NH2-OE1 3.12Å
123Y87.8Confident84.5Confident3 Ų348.8 Ų48.81%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-103.8146.1-177-59.6-81.3000111.9P46 H48 W121 Y125 T133 D136 V138P46-Y123 HydrophobicContact CG-CD1 3.96Å; P46-Y123 HydrophobicContact CG-CG 4.43Å; H48-Y123 HydrophobicContact CB-CD1 3.5Å; H48-Y123 VanDerWaalsContact CB-CD1 3.5Å; H48-Y123 HydrophobicContact CB-CE1 3.61Å; H48-Y123 HydrophobicContact CB-CG 4.49Å; W121-Y123 HydrophobicContact CB-CD2 4.33Å; W121-Y123 HydrophobicContact CB-CE1 4.16Å; W121-Y123 HydrophobicContact CB-CE2 3.59Å; W121-Y123 VanDerWaalsContact CB-CZ 3.47Å; W121-Y123 WeakPolarHBondContact CB-OH 3.37Å; Y123-Y125 HydrophobicContact CD2-CE1 4.45Å; Y123-Y125 AromaticContact CD2-CZ 3.97Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.32Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.49Å; Y123-Y125 PolarHBondContact O-N 3.09Å; Y123-T133 HydrophobicContact CD1-CG2 3.8Å; Y123-T133 HydrophobicContact CD2-CG2 4.2Å; Y123-T133 HydrophobicContact CE1-CG2 4.21Å; Y123-T133 HydrophobicContact CG-CG2 3.81Å; Y123-D136 VanDerWaalsContact CE2-OD1 3.23Å; Y123-D136 WeakPolarHBondContact CE2-OD1 3.4Å; Y123-D136 WeakPolarHBondContact OH-CA 3.5Å; Y123-D136 PolarHBondContact OH-OD1 3.23Å; Y123-V138 HydrophobicContact CE1-CG1 3.87Å; Y123-V138 HydrophobicContact CE1-CG2 4.37Å
124D84.9Confident85.1Confident49 Ų4949 Ų4926%0.26228%0.279SS..  trans-87.496.4161.9-131.4-35.6000110.3P46 D47 W49 R70 D126P46-D124 WeakPolarHBondContact CB-O 3.28Å; D47-D124 HydrophobicContact CB-CB 4.49Å; D47-D124 PolarHBondContact O-N 2.97Å; W49-D124 HydrophobicContact CH2-CB 4.42Å; W49-D124 HydrophobicContact CZ3-CB 4.1Å; R70-D124 IonicContact NH1-OD2 3.16Å; R70-D124 IonicContact NH2-OD2 3.15Å; R70-D124 PolarHBondContact NH2-OD2 3.21Å; D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.2Å
125Y76.5Confident85.6Confident99 Ų9947.1 Ų47.139%0.38826%0.264SS..  trans-70.6-21.8-170.3-69.5-85.1000113.6Y123 G127 R128 T133Y123-Y125 HydrophobicContact CD2-CE1 4.45Å; Y123-Y125 AromaticContact CD2-CZ 3.97Å; Y123-Y125 WeakPolarHBondContact CD2-OH 3.32Å; Y123-Y125 WeakPolarHBondContact O-CD2 3.49Å; Y123-Y125 PolarHBondContact O-N 3.09Å; Y125-G127 PolarHBondContact O-N 3.24Å; Y125-R128 WeakPolarHBondContact O-CA 3.26Å; Y125-R128 PolarHBondContact O-N 3.1Å; Y125-R128 VanDerWaalsContact O-O 3.11Å; Y125-T133 HydrophobicContact CD1-CG2 4.34Å; Y125-T133 HydrophobicContact CE1-CG2 4.01Å
126D75.9Confident85.9Confident120 Ų12049.2 Ų49.264%0.64227%0.273SS*.THydrogen-bonded Turntrans45.132.4-172.5-74.5-19.9000113.4D124 R128D124-D126 VanDerWaalsContact C-N 3.29Å; D124-D126 PolarHBondContact O-N 3.2Å; D126-R128 VanDerWaalsContact C-N 3.3Å; D126-R128 PolarHBondContact O-N 2.69Å; D126-R128 IonicContact OD2-NH2 3.32Å
127G79.9Confident86.3Confident58 Ų5847.7 Ų47.760%0.59826%0.255SS*.THydrogen-bonded Turntrans72.213.4-176.300000116Y125 T256Y125-G127 PolarHBondContact O-N 3.24Å; G127-T256 VanDerWaalsContact O-CB 3.27Å; G127-T256 WeakPolarHBondContact O-CB 3.34Å; G127-T256 PolarHBondContact O-OG1 3.32Å
128R84.2Confident86.5Confident55 Ų5546.5 Ų46.521%0.20825%0.247CC..  trans-122145.7-178.1-62.9177.5-70.4172.6-1.9111.7F44 Y125 D126 T256 Y371F44-R128 HydrophobicContact CE1-CB 3.52Å; F44-R128 HydrophobicContact CE2-CB 4.33Å; F44-R128 HydrophobicContact CZ-CB 3.33Å; Y125-R128 WeakPolarHBondContact O-CA 3.26Å; Y125-R128 PolarHBondContact O-N 3.1Å; Y125-R128 VanDerWaalsContact O-O 3.11Å; D126-R128 VanDerWaalsContact C-N 3.3Å; D126-R128 PolarHBondContact O-N 2.69Å; D126-R128 IonicContact OD2-NH2 3.32Å; R128-T256 HydrophobicContact CG-CG2 4.1Å; R128-Y371 WeakPolarHBondContact CD-OH 3.44Å
129Q87.3Confident86.7Confident99 Ų9943.2 Ų43.246%0.46323%0.228SC..BIsolated β-bridgetrans-120.8130.3175.8-61-169.2-0.200109.9T256 D257 W258Q129-T256 PolarHBondContact N-O 2.89Å; Q129-T256 VanDerWaalsContact N-O 3.11Å; Q129-D257 VanDerWaalsContact CD-OD1 3.26Å; Q129-D257 PolarHBondContact OE1-OD1 3.39Å; Q129-W258 WeakPolarHBondContact O-CB 3.43Å; Q129-W258 PolarHBondContact O-N 2.87Å
130S91.8Very high86.9Confident0 Ų043.6 Ų43.60%024%0.24CC..  trans-118.6159.4176.668.20000111.3Q42 F44 V132 T133 E134Q42-S130 WeakPolarHBondContact O-CA 3.23Å; Q42-S130 VanDerWaalsContact O-CB 3.23Å; Q42-S130 WeakPolarHBondContact O-CB 3.41Å; F44-S130 VanDerWaalsContact O-CB 3.27Å; F44-S130 WeakPolarHBondContact O-CB 3.44Å; F44-S130 PolarHBondContact O-OG 2.7Å; S130-V132 PolarHBondContact O-N 2.68Å; S130-V132 WeakPolarHBondContact OG-CB 3.28Å; S130-V132 PolarHBondContact OG-N 3.07Å; S130-T133 PolarHBondContact N-OG1 3.27Å; S130-T133 VanDerWaalsContact N-OG1 3.11Å; S130-T133 PolarHBondContact O-N 3.29Å; S130-T133 VanDerWaalsContact O-N 3.12Å; S130-T133 PolarHBondContact O-OG1 3.32Å; S130-T133 PolarHBondContact OG-N 2.9Å; S130-T133 PolarHBondContact OG-OG1 3.26Å; S130-E134 PolarHBondContact O-N 3.35Å; S130-E134 VanDerWaalsContact O-N 3.1Å
131F92.4Very high87Confident0 Ų045.9 Ų45.90%025%0.247CC..Hα-helixtrans-63.1-23.3172.872.9-101.5000111.4I39 Q42 E134 F135 L137 V145 Y148 L199 W258I39-F131 HydrophobicContact CG1-CE1 4.44Å; Q42-F131 HydrophobicContact CB-CD1 4.17Å; Q42-F131 HydrophobicContact CB-CE1 4.32Å; Q42-F131 WeakPolarHBondContact O-CD1 3.39Å; Q42-F131 PolarHBondContact O-N 2.91Å; F131-E134 PolarHBondContact O-N 3.46Å; F131-F135 HydrophobicContact CB-CD2 4.27Å; F131-F135 HydrophobicContact CB-CE2 4.48Å; F131-F135 WeakPolarHBondContact O-CD2 3.32Å; F131-F135 PolarHBondContact O-N 3.23Å; F131-L137 HydrophobicContact CD2-CD1 3.71Å; F131-L137 HydrophobicContact CE2-CD1 3.82Å; F131-V145 HydrophobicContact CE2-CG1 4.28Å; F131-V145 HydrophobicContact CZ-CG1 4Å; F131-Y148 AromaticContact CE1-CD1 3.95Å; F131-Y148 HydrophobicContact CE1-CD1 3.95Å; F131-Y148 AromaticContact CE1-CE1 3.97Å; F131-Y148 HydrophobicContact CE1-CE1 3.97Å; F131-Y148 HydrophobicContact CE1-CG 4.3Å; F131-Y148 HydrophobicContact CE2-CD2 4.48Å; F131-Y148 HydrophobicContact CE2-CG 4.22Å; F131-Y148 AromaticContact CZ-CD1 3.8Å; F131-Y148 HydrophobicContact CZ-CD1 3.8Å; F131-Y148 HydrophobicContact CZ-CD2 4.38Å; F131-Y148 HydrophobicContact CZ-CE1 4.29Å; F131-Y148 AromaticContact CZ-CG 3.85Å; F131-Y148 HydrophobicContact CZ-CG 3.85Å; F131-L199 HydrophobicContact CB-CD2 4.37Å; F131-L199 HydrophobicContact CD2-CD2 4.45Å; F131-L199 HydrophobicContact CG-CD2 4.48Å; F131-W258 HydrophobicContact CB-CD2 3.91Å; F131-W258 HydrophobicContact CB-CE3 4.24Å; F131-W258 HydrophobicContact CB-CG 4.46Å; F131-W258 HydrophobicContact CB-CH2 4.22Å; F131-W258 HydrophobicContact CB-CZ2 3.87Å; F131-W258 HydrophobicContact CB-CZ3 4.39Å
132V90.3Very high86.9Confident0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-63.9-46.8174.2-179.30000110.2G43 T45 S130 E134 D136 L137 V138 V145G43-V132 WeakPolarHBondContact O-CG2 3.18Å; T45-V132 HydrophobicContact CG2-CG1 4.22Å; S130-V132 PolarHBondContact O-N 2.68Å; S130-V132 WeakPolarHBondContact OG-CB 3.28Å; S130-V132 PolarHBondContact OG-N 3.07Å; V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 3.35Å; V132-D136 WeakPolarHBondContact O-CA 3.48Å; V132-D136 PolarHBondContact O-N 2.87Å; V132-L137 HydrophobicContact CG1-CB 4.18Å; V132-L137 PolarHBondContact O-N 3.06Å; V132-V138 HydrophobicContact CG1-CG1 3.82Å; V132-V145 HydrophobicContact CG1-CG2 4.35Å; V132-V145 HydrophobicContact CG2-CG1 4.11Å; V132-V145 HydrophobicContact CG2-CG2 3.71Å
133T89.7Confident87Confident12 Ų1248.7 Ų48.77%0.07426%0.26CS..Hα-helixtrans-71.4-24.5177.555.70000114P46 Y123 Y125 S130P46-T133 HydrophobicContact CG-CG2 3.26Å; Y123-T133 HydrophobicContact CD1-CG2 3.8Å; Y123-T133 HydrophobicContact CD2-CG2 4.2Å; Y123-T133 HydrophobicContact CE1-CG2 4.21Å; Y123-T133 HydrophobicContact CG-CG2 3.81Å; Y125-T133 HydrophobicContact CD1-CG2 4.34Å; Y125-T133 HydrophobicContact CE1-CG2 4.01Å; S130-T133 PolarHBondContact N-OG1 3.27Å; S130-T133 VanDerWaalsContact N-OG1 3.11Å; S130-T133 PolarHBondContact O-N 3.29Å; S130-T133 VanDerWaalsContact O-N 3.12Å; S130-T133 PolarHBondContact O-OG1 3.32Å; S130-T133 PolarHBondContact OG-N 2.9Å; S130-T133 PolarHBondContact OG-OG1 3.26Å
134E90.7Very high87.3Confident80 Ų8050 Ų5037%0.37427%0.267SS..Hα-helixtrans-82.5-34.9-179-170.2175.3162.700112.5S130 F131 V132 W258 R259S130-E134 PolarHBondContact O-N 3.35Å; S130-E134 VanDerWaalsContact O-N 3.1Å; F131-E134 PolarHBondContact O-N 3.46Å; V132-E134 VanDerWaalsContact C-N 3.31Å; V132-E134 PolarHBondContact O-N 3.35Å; E134-W258 VanDerWaalsContact OE2-CE2 3.24Å; E134-W258 WeakPolarHBondContact OE2-CZ2 3.5Å; E134-W258 PolarHBondContact OE2-NE1 2.89Å; E134-R259 IonicContact OE1-CZ 3.86Å; E134-R259 VanDerWaalsContact OE1-CZ 3.28Å; E134-R259 IonicContact OE1-NE 3.63Å; E134-R259 PolarHBondContact OE1-NE 3.43Å; E134-R259 VanDerWaalsContact OE1-NE 3.16Å; E134-R259 IonicContact OE1-NH2 2.66Å; E134-R259 PolarHBondContact OE1-NH2 3.06Å; E134-R259 IonicContact OE2-CZ 2.88Å; E134-R259 IonicContact OE2-NE 3.33Å; E134-R259 PolarHBondContact OE2-NE 3.29Å; E134-R259 VanDerWaalsContact OE2-NE 3.15Å; E134-R259 IonicContact OE2-NH2 2.61Å
135F91.1Very high87.5Confident43 Ų4347.9 Ų47.919%0.18926%0.256CS..THydrogen-bonded Turntrans-106.911.8-179.5-63.4-67.3000113.7F131 L137 Y196 L199 W258F131-F135 HydrophobicContact CB-CD2 4.27Å; F131-F135 HydrophobicContact CB-CE2 4.48Å; F131-F135 WeakPolarHBondContact O-CD2 3.32Å; F131-F135 PolarHBondContact O-N 3.23Å; F135-L137 HydrophobicContact CB-CD1 4.09Å; F135-L137 HydrophobicContact CB-CD2 3.91Å; F135-L137 HydrophobicContact CB-CG 3.79Å; F135-L137 WeakPolarHBondContact O-CD2 3.24Å; F135-L137 PolarHBondContact O-N 3.22Å; F135-Y196 HydrophobicContact CB-CD2 4.24Å; F135-Y196 HydrophobicContact CD2-CD2 4.08Å; F135-Y196 HydrophobicContact CG-CD2 4.13Å; F135-L199 HydrophobicContact CD2-CD2 4.24Å; F135-L199 HydrophobicContact CE2-CD2 3.86Å; F135-W258 HydrophobicContact CE2-CZ2 4.24Å
136D90.8Very high88.3Confident66 Ų6643.2 Ų43.235%0.35324%0.237SC..THydrogen-bonded Turntrans5443.1177.8-72.1-39.9000115.2Y123 V132 V138Y123-D136 VanDerWaalsContact CE2-OD1 3.23Å; Y123-D136 WeakPolarHBondContact CE2-OD1 3.4Å; Y123-D136 WeakPolarHBondContact OH-CA 3.5Å; Y123-D136 PolarHBondContact OH-OD1 3.23Å; V132-D136 WeakPolarHBondContact O-CA 3.48Å; V132-D136 PolarHBondContact O-N 2.87Å; D136-V138 VanDerWaalsContact C-N 3.27Å; D136-V138 PolarHBondContact O-N 3.4Å
137L90.3Very high89.1Confident7 Ų739.7 Ų39.74%0.03722%0.218CC..  trans-87.752.8-171.3-50.7174.3000112.9F131 V132 F135 G142 L144 V145 Y196F131-L137 HydrophobicContact CD2-CD1 3.71Å; F131-L137 HydrophobicContact CE2-CD1 3.82Å; V132-L137 HydrophobicContact CG1-CB 4.18Å; V132-L137 PolarHBondContact O-N 3.06Å; F135-L137 HydrophobicContact CB-CD1 4.09Å; F135-L137 HydrophobicContact CB-CD2 3.91Å; F135-L137 HydrophobicContact CB-CG 3.79Å; F135-L137 WeakPolarHBondContact O-CD2 3.24Å; F135-L137 PolarHBondContact O-N 3.22Å; L137-G142 WeakPolarHBondContact O-CA 3.21Å; L137-L144 HydrophobicContact CD2-CB 4.01Å; L137-L144 HydrophobicContact CD2-CD1 3.7Å; L137-V145 HydrophobicContact CB-CG2 3.81Å; L137-V145 HydrophobicContact CD1-CG2 4.36Å; L137-Y196 HydrophobicContact CD1-CD2 3.79Å; L137-Y196 HydrophobicContact CD1-CE2 3.32Å; L137-Y196 HydrophobicContact CD2-CD2 4.18Å; L137-Y196 HydrophobicContact CD2-CE2 4.23Å; L137-Y196 HydrophobicContact CD2-CG 4.36Å; L137-Y196 HydrophobicContact CG-CE2 4.42Å
138V88.4Confident89.8Confident3 Ų336.9 Ų36.92%0.01819%0.19CC..  trans-117166.3-178.4-63.20000112.4T45 W121 Y123 V132 D136 S140 D141T45-V138 HydrophobicContact CG2-CG1 3.86Å; W121-V138 HydrophobicContact CD2-CG2 3.33Å; W121-V138 HydrophobicContact CE3-CG2 3.64Å; W121-V138 HydrophobicContact CG-CG2 3.82Å; W121-V138 HydrophobicContact CH2-CG2 3.98Å; W121-V138 HydrophobicContact CZ2-CG2 3.68Å; W121-V138 HydrophobicContact CZ3-CG2 3.93Å; Y123-V138 HydrophobicContact CE1-CG1 3.87Å; Y123-V138 HydrophobicContact CE1-CG2 4.37Å; V132-V138 HydrophobicContact CG1-CG1 3.82Å; D136-V138 VanDerWaalsContact C-N 3.27Å; D136-V138 PolarHBondContact O-N 3.4Å; V138-S140 PolarHBondContact O-N 3.04Å; V138-S140 VanDerWaalsContact O-N 3.13Å; V138-D141 PolarHBondContact O-N 3.13Å
139C85.9Confident90.2Very high37 Ų3734.3 Ų34.325%0.2518%0.18CC..G310 helixtrans54.3-113.5177.4-590000113.7H48 C88 W121 D141 G142H48-C139 PolarHBondContact NE2-SG 3.49Å; H48-C139 VanDerWaalsContact NE2-SG 3.42Å; C88-C139 WeakPolarHBondContact CA-SG 3.41Å; C88-C139 HydrophobicContact CB-CB 3.7Å; C88-C139 WeakPolarHBondContact CB-SG 3.35Å; C88-C139 WeakPolarHBondContact SG-CB 3.49Å; C88-C139 CovalentContact SG-SG 2.02Å; C88-C139 PolarHBondContact SG-SG 3.29Å; W121-C139 HydrophobicContact CH2-CB 3.59Å; W121-C139 WeakPolarHBondContact CH2-SG 3.15Å; W121-C139 HydrophobicContact CZ2-CB 4.08Å; W121-C139 HydrophobicContact CZ3-CB 4.42Å; W121-C139 WeakPolarHBondContact CZ3-SG 3.41Å; C139-D141 PolarHBondContact O-N 3.39Å; C139-G142 PolarHBondContact O-N 2.87Å; C139-G142 VanDerWaalsContact O-N 3.13Å
140S85.8Confident90.5Very high93 Ų9329.8 Ų29.865%0.6516%0.159SC*.G310 helixtrans-58.6-31.4179.648.80000112.7V138 W143V138-S140 PolarHBondContact O-N 3.04Å; V138-S140 VanDerWaalsContact O-N 3.13Å; S140-W143 PolarHBondContact O-NE1 2.97Å
141D88Confident90.7Very high71 Ų7130.7 Ų30.738%0.3817%0.165SC..G310 helixtrans-97.13.7-177.3-68.9-38.1000113V138 C139 W143 L144V138-D141 PolarHBondContact O-N 3.13Å; C139-D141 PolarHBondContact O-N 3.39Å; D141-W143 PolarHBondContact O-N 3.31Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 VanDerWaalsContact O-CB 3.23Å; D141-L144 WeakPolarHBondContact O-CB 3.48Å; D141-L144 WeakPolarHBondContact O-CG 3.36Å; D141-L144 PolarHBondContact O-N 2.69Å
142G86.3Confident90.8Very high12 Ų1230.7 Ų30.712%0.12417%0.165CC..THydrogen-bonded Turntrans-59.9-23179.900000114.2L137 C139 L144 V145 R481L137-G142 WeakPolarHBondContact O-CA 3.21Å; C139-G142 PolarHBondContact O-N 2.87Å; C139-G142 VanDerWaalsContact O-N 3.13Å; G142-L144 PolarHBondContact O-N 3.31Å; G142-V145 PolarHBondContact O-N 3.33Å; G142-R481 PolarHBondContact O-NH2 3.43Å
143W89.8Confident91Very high116 Ų11630.8 Ų30.844%0.43917%0.166SC..Hα-helixtrans-69.1-18.7176.369-85.4000112.8S140 D141 V145 D146 L147 R481S140-W143 PolarHBondContact O-NE1 2.97Å; D141-W143 PolarHBondContact O-N 3.31Å; W143-V145 VanDerWaalsContact C-N 3.3Å; W143-V145 PolarHBondContact O-N 2.93Å; W143-D146 WeakPolarHBondContact O-CB 3.45Å; W143-D146 PolarHBondContact O-N 3.05Å; W143-L147 HydrophobicContact CZ3-CD2 3.97Å; W143-L147 PolarHBondContact O-N 3.1Å; W143-L147 VanDerWaalsContact O-N 3.13Å; W143-R481 VanDerWaalsContact CA-NH2 3.27Å; W143-R481 VanDerWaalsContact N-NH2 3.17Å
144L92.3Very high91.3Very high29 Ų2932.8 Ų32.815%0.15218%0.178CC..Hα-helixtrans-65.5-36.3175-65.2175.9000110.5L137 D141 G142 D146 L147 Y148 Y196L137-L144 HydrophobicContact CD2-CB 4.01Å; L137-L144 HydrophobicContact CD2-CD1 3.7Å; D141-L144 HydrophobicContact CB-CD1 4.01Å; D141-L144 VanDerWaalsContact O-CB 3.23Å; D141-L144 WeakPolarHBondContact O-CB 3.48Å; D141-L144 WeakPolarHBondContact O-CG 3.36Å; D141-L144 PolarHBondContact O-N 2.69Å; G142-L144 PolarHBondContact O-N 3.31Å; L144-D146 PolarHBondContact O-N 3.45Å; L144-L147 HydrophobicContact CD2-CD2 4.25Å; L144-L147 WeakPolarHBondContact O-CA 3.23Å; L144-L147 VanDerWaalsContact O-CB 3.27Å; L144-L147 WeakPolarHBondContact O-CB 3.19Å; L144-L147 PolarHBondContact O-N 3.17Å; L144-Y148 PolarHBondContact O-N 3.21Å; L144-Y196 HydrophobicContact CB-CE1 3.75Å; L144-Y196 HydrophobicContact CD1-CD1 4.4Å; L144-Y196 HydrophobicContact CD1-CE1 4.16Å; L144-Y196 HydrophobicContact CD2-CE1 3.92Å; L144-Y196 HydrophobicContact CG-CE1 4.16Å; L144-Y196 PolarHBondContact O-OH 3.02Å
145V91.1Very high91.5Very high5 Ų529 Ų293%0.0316%0.16CC..Hα-helixtrans-57.9-40.2174.7-172.80000111.2F131 V132 L137 G142 W143 L147 Y148F131-V145 HydrophobicContact CE2-CG1 4.28Å; F131-V145 HydrophobicContact CZ-CG1 4Å; V132-V145 HydrophobicContact CG1-CG2 4.35Å; V132-V145 HydrophobicContact CG2-CG1 4.11Å; V132-V145 HydrophobicContact CG2-CG2 3.71Å; L137-V145 HydrophobicContact CB-CG2 3.81Å; L137-V145 HydrophobicContact CD1-CG2 4.36Å; G142-V145 PolarHBondContact O-N 3.33Å; W143-V145 VanDerWaalsContact C-N 3.3Å; W143-V145 PolarHBondContact O-N 2.93Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.46Å; V145-Y148 WeakPolarHBondContact O-CB 3.45Å; V145-Y148 PolarHBondContact O-N 3.29Å
146D91.4Very high91.6Very high1 Ų127.1 Ų27.11%0.00515%0.152CC..Hα-helixtrans-64.2-41.9176.1-45.5-14000110.4W143 L144 Y148 Q149 A150 P476 F477 Y480 R481W143-D146 WeakPolarHBondContact O-CB 3.45Å; W143-D146 PolarHBondContact O-N 3.05Å; L144-D146 PolarHBondContact O-N 3.45Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 2.87Å; D146-Q149 PolarHBondContact O-N 2.91Å; D146-A150 WeakPolarHBondContact O-CB 3.43Å; D146-A150 PolarHBondContact O-N 3.21Å; D146-P476 HydrophobicContact CB-CB 4.07Å; D146-F477 HydrophobicContact CB-CD1 3.62Å; D146-F477 HydrophobicContact CB-CD2 4.42Å; D146-F477 HydrophobicContact CB-CE1 3.57Å; D146-F477 HydrophobicContact CB-CE2 4.38Å; D146-F477 HydrophobicContact CB-CG 4.06Å; D146-F477 HydrophobicContact CB-CZ 3.97Å; D146-Y480 WeakPolarHBondContact OD1-CB 3.46Å; D146-Y480 WeakPolarHBondContact OD1-CD2 3.12Å; D146-R481 IonicContact OD1-NH2 2.74Å; D146-R481 PolarHBondContact OD1-NH2 3.08Å; D146-R481 IonicContact OD2-CZ 2.7Å; D146-R481 VanDerWaalsContact OD2-CZ 3.25Å; D146-R481 IonicContact OD2-NE 2.66Å; D146-R481 PolarHBondContact OD2-NE 3.35Å; D146-R481 IonicContact OD2-NH2 2.73Å; D146-R481 PolarHBondContact OD2-NH2 2.97Å
147L94.1Very high91.6Very high46 Ų4625.7 Ų25.724%0.24114%0.144CC..Hα-helixtrans-62.2-34177.2-174.864.9000112.4W143 L144 V145 Q149 A150 T151 L200 F477W143-L147 HydrophobicContact CZ3-CD2 3.97Å; W143-L147 PolarHBondContact O-N 3.1Å; W143-L147 VanDerWaalsContact O-N 3.13Å; L144-L147 HydrophobicContact CD2-CD2 4.25Å; L144-L147 WeakPolarHBondContact O-CA 3.23Å; L144-L147 VanDerWaalsContact O-CB 3.27Å; L144-L147 WeakPolarHBondContact O-CB 3.19Å; L144-L147 PolarHBondContact O-N 3.17Å; V145-L147 VanDerWaalsContact C-N 3.34Å; V145-L147 PolarHBondContact O-N 3.46Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 3.09Å; L147-A150 PolarHBondContact O-N 3.43Å; L147-T151 HydrophobicContact CD1-CG2 3.99Å; L147-T151 HydrophobicContact CG-CG2 4.1Å; L147-T151 WeakPolarHBondContact O-CB 3.36Å; L147-T151 VanDerWaalsContact O-CG2 3.29Å; L147-T151 WeakPolarHBondContact O-CG2 3.33Å; L147-T151 PolarHBondContact O-N 2.91Å; L147-T151 PolarHBondContact O-OG1 3.12Å; L147-L200 HydrophobicContact CD2-CD1 3.68Å; L147-L200 HydrophobicContact CG-CD1 4.17Å; L147-L200 HydrophobicContact CG-CD2 4.46Å; L147-F477 HydrophobicContact CB-CZ 4.37Å
148Y93.9Very high91.7Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-59.6-41.1175.4178-90.3000112.3I39 F131 L144 V145 D146 T151 L199 L200 R203I39-Y148 HydrophobicContact CD1-CD1 3.84Å; I39-Y148 HydrophobicContact CG1-CD1 4.27Å; F131-Y148 AromaticContact CE1-CD1 3.95Å; F131-Y148 HydrophobicContact CE1-CD1 3.95Å; F131-Y148 AromaticContact CE1-CE1 3.97Å; F131-Y148 HydrophobicContact CE1-CE1 3.97Å; F131-Y148 HydrophobicContact CE1-CG 4.3Å; F131-Y148 HydrophobicContact CE2-CD2 4.48Å; F131-Y148 HydrophobicContact CE2-CG 4.22Å; F131-Y148 AromaticContact CZ-CD1 3.8Å; F131-Y148 HydrophobicContact CZ-CD1 3.8Å; F131-Y148 HydrophobicContact CZ-CD2 4.38Å; F131-Y148 HydrophobicContact CZ-CE1 4.29Å; F131-Y148 AromaticContact CZ-CG 3.85Å; F131-Y148 HydrophobicContact CZ-CG 3.85Å; L144-Y148 PolarHBondContact O-N 3.21Å; V145-Y148 WeakPolarHBondContact O-CB 3.45Å; V145-Y148 PolarHBondContact O-N 3.29Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 2.87Å; Y148-T151 PolarHBondContact O-OG1 2.95Å; Y148-L199 HydrophobicContact CD2-CD2 3.93Å; Y148-L199 HydrophobicContact CD2-CG 4.1Å; Y148-L199 HydrophobicContact CE2-CD1 4.06Å; Y148-L199 HydrophobicContact CE2-CD2 3.79Å; Y148-L199 HydrophobicContact CE2-CG 3.74Å; Y148-L200 HydrophobicContact CD2-CD2 4.32Å; Y148-R203 HydrophobicContact CD2-CG 4.21Å; Y148-R203 HydrophobicContact CE1-CG 4.33Å; Y148-R203 VanDerWaalsContact CE1-NE 3.3Å; Y148-R203 HydrophobicContact CE2-CB 4.17Å; Y148-R203 HydrophobicContact CE2-CG 3.85Å; Y148-R203 VanDerWaalsContact CZ-NE 3.3Å; Y148-R203 WeakPolarHBondContact OH-CD 3.46Å; Y148-R203 PolarHBondContact OH-NE 3.44Å
149Q92.5Very high91.7Very high0 Ų029.5 Ų29.50%016%0.163CC..Hα-helixtrans-77.8-36.7174.8-166.759.821.200112.2Y36 I39 D146 L147 T151 L152 N153 Q357 M361 P476Y36-Q149 PolarHBondContact O-NE2 3.18Å; I39-Q149 HydrophobicContact CD1-CB 3.63Å; I39-Q149 HydrophobicContact CD1-CG 4.33Å; D146-Q149 PolarHBondContact O-N 2.91Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-Q149 PolarHBondContact O-N 3.09Å; Q149-T151 VanDerWaalsContact C-N 3.35Å; Q149-T151 PolarHBondContact O-N 3.16Å; Q149-L152 WeakPolarHBondContact O-CB 3.5Å; Q149-L152 PolarHBondContact O-N 3.44Å; Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-ND2 3.31Å; Q149-Q357 VanDerWaalsContact NE2-NE2 3.17Å; Q149-M361 HydrophobicContact CB-CE 4.05Å; Q149-M361 HydrophobicContact CG-CE 3.97Å; Q149-M361 HydrophobicContact CG-SD 4.25Å; Q149-P476 HydrophobicContact CB-CB 4.25Å; Q149-P476 HydrophobicContact CB-CG 3.64Å; Q149-P476 HydrophobicContact CG-CG 3.71Å
150A94.6Very high91.7Very high4 Ų428.6 Ų28.63%0.03316%0.158CC..Hα-helixtrans-61.9-43.5179.400000111.8D146 L147 L152 N153 V154 I473 F477D146-A150 WeakPolarHBondContact O-CB 3.43Å; D146-A150 PolarHBondContact O-N 3.21Å; L147-A150 PolarHBondContact O-N 3.43Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 3.04Å; A150-N153 PolarHBondContact O-N 3.36Å; A150-N153 VanDerWaalsContact O-N 3.09Å; A150-V154 WeakPolarHBondContact O-CG2 3.32Å; A150-V154 PolarHBondContact O-N 3.42Å; A150-I473 HydrophobicContact CB-CG2 4.21Å; A150-F477 HydrophobicContact CB-CD2 4.46Å; A150-F477 HydrophobicContact CB-CE2 3.62Å; A150-F477 HydrophobicContact CB-CZ 4.38Å
151T95.3Very high91.7Very high20 Ų2028.9 Ų28.912%0.12315%0.151CC..Hα-helixtrans-63.3-35.3177.849.80000112.9L147 Y148 Q149 N153 V154 G155 L200 T204L147-T151 HydrophobicContact CD1-CG2 3.99Å; L147-T151 HydrophobicContact CG-CG2 4.1Å; L147-T151 WeakPolarHBondContact O-CB 3.36Å; L147-T151 VanDerWaalsContact O-CG2 3.29Å; L147-T151 WeakPolarHBondContact O-CG2 3.33Å; L147-T151 PolarHBondContact O-N 2.91Å; L147-T151 PolarHBondContact O-OG1 3.12Å; Y148-T151 PolarHBondContact O-OG1 2.95Å; Q149-T151 VanDerWaalsContact C-N 3.35Å; Q149-T151 PolarHBondContact O-N 3.16Å; T151-N153 PolarHBondContact O-N 3.24Å; T151-V154 PolarHBondContact O-N 3.14Å; T151-G155 PolarHBondContact O-N 3.18Å; T151-L200 HydrophobicContact CG2-CD2 4.26Å; T151-T204 WeakPolarHBondContact CB-OG1 3.32Å
152L94.6Very high91.8Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-58.8-46.4170.1-177.576.2000111.6V35 Q149 A150 G155 F156 R203 G207V35-L152 HydrophobicContact CG1-CD1 3.89Å; V35-L152 HydrophobicContact CG1-CD2 4.3Å; V35-L152 WeakPolarHBondContact O-CD2 3.2Å; Q149-L152 WeakPolarHBondContact O-CB 3.5Å; Q149-L152 PolarHBondContact O-N 3.44Å; A150-L152 VanDerWaalsContact C-N 3.33Å; A150-L152 PolarHBondContact O-N 3.04Å; L152-G155 CarbonylContact O-C 3.41Å; L152-G155 WeakPolarHBondContact O-CA 3.44Å; L152-G155 PolarHBondContact O-N 3.34Å; L152-G155 VanDerWaalsContact O-N 3.12Å; L152-F156 HydrophobicContact CD1-CE1 4.25Å; L152-F156 HydrophobicContact CD1-CZ 3.99Å; L152-F156 HydrophobicContact CD2-CE2 3.68Å; L152-F156 HydrophobicContact CD2-CZ 3.62Å; L152-F156 HydrophobicContact CG-CD2 4.44Å; L152-F156 HydrophobicContact CG-CE1 4.21Å; L152-F156 HydrophobicContact CG-CE2 3.72Å; L152-F156 HydrophobicContact CG-CZ 3.6Å; L152-F156 PolarHBondContact O-N 3.03Å; L152-R203 HydrophobicContact CB-CG 4.18Å; L152-R203 HydrophobicContact CD1-CG 4.35Å; L152-G207 VanDerWaalsContact CD1-CA 3.49Å
153N94.4Very high91.8Very high2 Ų226.8 Ų26.81%0.01114%0.142CC..Hα-helixtrans-69.5-32.1179.6-69.6-71.4000112.8Q149 A150 T151 G155 F156 L157 G472 I473Q149-N153 PolarHBondContact O-N 3.1Å; Q149-N153 PolarHBondContact O-ND2 3.31Å; A150-N153 PolarHBondContact O-N 3.36Å; A150-N153 VanDerWaalsContact O-N 3.09Å; T151-N153 PolarHBondContact O-N 3.24Å; N153-G155 VanDerWaalsContact C-N 3.3Å; N153-F156 HydrophobicContact CB-CD2 4.48Å; N153-F156 WeakPolarHBondContact O-CB 3.29Å; N153-F156 PolarHBondContact O-N 3.14Å; N153-F156 WeakPolarHBondContact OD1-CD2 3.34Å; N153-L157 PolarHBondContact O-N 2.86Å; N153-G472 VanDerWaalsContact ND2-C 3.35Å; N153-G472 PolarHBondContact ND2-O 2.97Å; N153-I473 HydrophobicContact CB-CG1 3.59Å
154V95.4Very high91.5Very high53 Ų5322.5 Ų22.532%0.32113%0.133SC..Hα-helixtrans-60.4-43.8167.5173.10000110.3A150 T151 F156 L157 I158 I473A150-V154 WeakPolarHBondContact O-CG2 3.32Å; A150-V154 PolarHBondContact O-N 3.42Å; T151-V154 PolarHBondContact O-N 3.14Å; V154-F156 PolarHBondContact O-N 3.45Å; V154-L157 WeakPolarHBondContact O-CB 3.47Å; V154-L157 PolarHBondContact O-N 2.88Å; V154-I158 HydrophobicContact CG1-CD1 3.85Å; V154-I158 WeakPolarHBondContact O-CG1 3.27Å; V154-I158 PolarHBondContact O-N 2.99Å; V154-I158 VanDerWaalsContact O-N 3.11Å; V154-I473 HydrophobicContact CB-CD1 4.48Å; V154-I473 HydrophobicContact CG2-CD1 3.58Å; V154-I473 HydrophobicContact CG2-CG1 3.98Å
155G94.6Very high91.1Very high1 Ų127.7 Ų27.71%0.0115%0.152CC..Hα-helixtrans-55.1-50.2171.700000111.9T151 L152 N153 L157 I158 G159 T204 F208T151-G155 PolarHBondContact O-N 3.18Å; L152-G155 CarbonylContact O-C 3.41Å; L152-G155 WeakPolarHBondContact O-CA 3.44Å; L152-G155 PolarHBondContact O-N 3.34Å; L152-G155 VanDerWaalsContact O-N 3.12Å; N153-G155 VanDerWaalsContact C-N 3.3Å; G155-L157 PolarHBondContact O-N 3.38Å; G155-I158 PolarHBondContact O-N 3.02Å; G155-G159 WeakPolarHBondContact O-CA 3.28Å; G155-G159 PolarHBondContact O-N 3.16Å; G155-T204 WeakPolarHBondContact CA-O 3.36Å; G155-F208 VanDerWaalsContact O-CA 3.25Å; G155-F208 WeakPolarHBondContact O-CA 3.21Å
156F93.1Very high90.7Very high3 Ų329.9 Ų29.91%0.01316%0.163CC..Hα-helixtrans-55.9-46.5176.6-69.4-27.3000113.1V35 Y36 L152 N153 V154 G159 S160 G207 V210 K211V35-F156 HydrophobicContact CG1-CZ 4.26Å; Y36-F156 AromaticContact CD2-CE2 3.62Å; Y36-F156 HydrophobicContact CD2-CE2 3.62Å; Y36-F156 HydrophobicContact CD2-CZ 4.2Å; Y36-F156 HydrophobicContact CE2-CE2 4.02Å; L152-F156 HydrophobicContact CD1-CE1 4.25Å; L152-F156 HydrophobicContact CD1-CZ 3.99Å; L152-F156 HydrophobicContact CD2-CE2 3.68Å; L152-F156 HydrophobicContact CD2-CZ 3.62Å; L152-F156 HydrophobicContact CG-CD2 4.44Å; L152-F156 HydrophobicContact CG-CE1 4.21Å; L152-F156 HydrophobicContact CG-CE2 3.72Å; L152-F156 HydrophobicContact CG-CZ 3.6Å; L152-F156 PolarHBondContact O-N 3.03Å; N153-F156 HydrophobicContact CB-CD2 4.48Å; N153-F156 WeakPolarHBondContact O-CB 3.29Å; N153-F156 PolarHBondContact O-N 3.14Å; N153-F156 WeakPolarHBondContact OD1-CD2 3.34Å; V154-F156 PolarHBondContact O-N 3.45Å; F156-G159 PolarHBondContact O-N 2.97Å; F156-S160 VanDerWaalsContact O-CB 3.32Å; F156-S160 WeakPolarHBondContact O-CB 3.26Å; F156-S160 PolarHBondContact O-N 3.07Å; F156-S160 PolarHBondContact O-OG 3.37Å; F156-G207 WeakPolarHBondContact CD1-O 3.47Å; F156-V210 HydrophobicContact CE1-CB 4.11Å; F156-V210 HydrophobicContact CE1-CG1 4.17Å; F156-K211 HydrophobicContact CB-CB 4.04Å; F156-K211 HydrophobicContact CB-CD 3.65Å; F156-K211 HydrophobicContact CB-CG 4.47Å; F156-K211 HydrophobicContact CD1-CB 3.46Å; F156-K211 VanDerWaalsContact CD1-CB 3.46Å; F156-K211 HydrophobicContact CE1-CB 4.22Å; F156-K211 HydrophobicContact CG-CB 3.97Å; F156-K211 HydrophobicContact CG-CD 4.22Å
157L91.9Very high90.4Very high37 Ų3729.9 Ų29.919%0.19416%0.163CC..Hα-helixtrans-56.3-57.2178.7174.556.2000111.2N153 V154 G155 G159 S160 I161 T466 D469N153-L157 PolarHBondContact O-N 2.86Å; V154-L157 WeakPolarHBondContact O-CB 3.47Å; V154-L157 PolarHBondContact O-N 2.88Å; G155-L157 PolarHBondContact O-N 3.38Å; L157-G159 PolarHBondContact O-N 3.24Å; L157-S160 PolarHBondContact O-N 3.43Å; L157-S160 PolarHBondContact O-OG 3.16Å; L157-I161 HydrophobicContact CD1-CD1 4.35Å; L157-T466 HydrophobicContact CD1-CG2 3.32Å; L157-D469 WeakPolarHBondContact CA-OD2 3.26Å; L157-D469 HydrophobicContact CB-CB 3.8Å; L157-D469 HydrophobicContact CD1-CB 4.28Å
158I92.1Very high89.9Confident89 Ų8931.6 Ų31.646%0.45617%0.173SC..Hα-helixtrans-65.7-42.1-177.2-58.1170.6000110.4V154 G155 I161 A162 F208V154-I158 HydrophobicContact CG1-CD1 3.85Å; V154-I158 WeakPolarHBondContact O-CG1 3.27Å; V154-I158 PolarHBondContact O-N 2.99Å; V154-I158 VanDerWaalsContact O-N 3.11Å; G155-I158 PolarHBondContact O-N 3.02Å; I158-I161 PolarHBondContact O-N 3.1Å; I158-A162 WeakPolarHBondContact O-CB 3.28Å; I158-A162 PolarHBondContact O-N 3.23Å; I158-F208 HydrophobicContact CB-CD2 4.28Å; I158-F208 HydrophobicContact CG2-CD2 3.97Å; I158-F208 HydrophobicContact CG2-CE2 3.9Å
159G89.6Confident89.3Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-63.5-41.3-178.900000113.2G155 F156 L157 I161 A162 I163 F208G155-G159 WeakPolarHBondContact O-CA 3.28Å; G155-G159 PolarHBondContact O-N 3.16Å; F156-G159 PolarHBondContact O-N 2.97Å; L157-G159 PolarHBondContact O-N 3.24Å; G159-I161 VanDerWaalsContact C-N 3.33Å; G159-I161 PolarHBondContact O-N 3.31Å; G159-A162 PolarHBondContact O-N 3.27Å; G159-I163 VanDerWaalsContact O-CB 3.23Å; G159-I163 WeakPolarHBondContact O-CB 3.48Å; G159-I163 PolarHBondContact O-N 3.31Å; G159-F208 VanDerWaalsContact CA-CD2 3.44Å; G159-F208 WeakPolarHBondContact CA-O 3.09Å
160S85.7Confident89Confident19 Ų1944 Ų4413%0.13322%0.223CC..Hα-helixtrans-63.1-38.917968.50000112.8F156 L157 G164F156-S160 VanDerWaalsContact O-CB 3.32Å; F156-S160 WeakPolarHBondContact O-CB 3.26Å; F156-S160 PolarHBondContact O-N 3.07Å; F156-S160 PolarHBondContact O-OG 3.37Å; L157-S160 PolarHBondContact O-N 3.43Å; L157-S160 PolarHBondContact O-OG 3.16Å; S160-G164 WeakPolarHBondContact O-CA 3.31Å; S160-G164 PolarHBondContact O-N 2.94Å; S160-G164 VanDerWaalsContact O-N 3.07Å
161I86Confident88.6Confident98 Ų9843.8 Ų43.850%0.50322%0.221SC..Hα-helixtrans-71.8-50.8176.9-61.1171.1000110.1L157 I158 G159 Y165L157-I161 HydrophobicContact CD1-CD1 4.35Å; I158-I161 PolarHBondContact O-N 3.1Å; G159-I161 VanDerWaalsContact C-N 3.33Å; G159-I161 PolarHBondContact O-N 3.31Å; I161-Y165 PolarHBondContact O-N 2.93Å
162A89.1Confident88.2Confident34 Ų3444.3 Ų44.328%0.28122%0.221SC..Hα-helixtrans-67.2-49.5-17500000112.5I158 G159 G164 Y165 L166 F208I158-A162 WeakPolarHBondContact O-CB 3.28Å; I158-A162 PolarHBondContact O-N 3.23Å; G159-A162 PolarHBondContact O-N 3.27Å; A162-G164 VanDerWaalsContact C-N 3.35Å; A162-Y165 PolarHBondContact O-N 3.49Å; A162-L166 VanDerWaalsContact O-CG 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.38Å; A162-L166 PolarHBondContact O-N 2.96Å; A162-F208 HydrophobicContact CB-CE2 3.69Å; A162-F208 HydrophobicContact CB-CZ 3.6Å
163I87Confident88.1Confident6 Ų646 Ų463%0.03123%0.228CC..Hα-helixtrans-72.6-31.7179.8-65.1164.6000110.8G159 L166 A167 S179 F208G159-I163 VanDerWaalsContact O-CB 3.23Å; G159-I163 WeakPolarHBondContact O-CB 3.48Å; G159-I163 PolarHBondContact O-N 3.31Å; I163-L166 PolarHBondContact O-N 3.01Å; I163-A167 VanDerWaalsContact O-CB 3.26Å; I163-A167 WeakPolarHBondContact O-CB 3.46Å; I163-A167 PolarHBondContact O-N 3.36Å; I163-S179 WeakPolarHBondContact CG2-OG 3.36Å; I163-F208 HydrophobicContact CD1-CD1 3.97Å; I163-F208 HydrophobicContact CD1-CE1 3.83Å; I163-F208 WeakPolarHBondContact CD1-O 3.35Å; I163-F208 HydrophobicContact CG1-CE1 3.93Å; I163-F208 HydrophobicContact CG1-CZ 4.38Å
164G82.1Confident87.9Confident25 Ų2550.6 Ų50.626%0.25825%0.251SS..Hα-helixtrans-56.3-52.3169.900000111.4S160 A162 L166 A167 D168S160-G164 WeakPolarHBondContact O-CA 3.31Å; S160-G164 PolarHBondContact O-N 2.94Å; S160-G164 VanDerWaalsContact O-N 3.07Å; A162-G164 VanDerWaalsContact C-N 3.35Å; G164-L166 PolarHBondContact O-N 3.32Å; G164-A167 WeakPolarHBondContact O-CB 3.39Å; G164-A167 PolarHBondContact O-N 3.25Å; G164-A167 VanDerWaalsContact O-N 3.1Å; G164-D168 PolarHBondContact O-N 3.37Å
165Y83.8Confident87.7Confident139 Ų13948.2 Ų48.255%0.54524%0.236SC..Hα-helixtrans-59.4-43.7175178-97.2000112.6I161 A162 A167 D168 R169I161-Y165 PolarHBondContact O-N 2.93Å; A162-Y165 PolarHBondContact O-N 3.49Å; Y165-A167 VanDerWaalsContact C-N 3.3Å; Y165-A167 PolarHBondContact O-N 3.42Å; Y165-D168 PolarHBondContact O-N 3.31Å; Y165-R169 WeakPolarHBondContact O-CB 3.39Å; Y165-R169 PolarHBondContact O-N 3.01Å; Y165-R169 PolarHBondContact OH-NH1 3.37Å
166L84.6Confident87.6Confident50 Ų5048.3 Ų48.326%0.26224%0.237SC..Hα-helixtrans-62.2-38175.4-69.6172.2000111.6A162 I163 G164 R169 F170 S175A162-L166 VanDerWaalsContact O-CG 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.38Å; A162-L166 PolarHBondContact O-N 2.96Å; I163-L166 PolarHBondContact O-N 3.01Å; G164-L166 PolarHBondContact O-N 3.32Å; L166-R169 PolarHBondContact O-N 3.18Å; L166-F170 HydrophobicContact CB-CD2 4.36Å; L166-F170 HydrophobicContact CD2-CD2 3.59Å; L166-F170 HydrophobicContact CD2-CE2 3.5Å; L166-F170 VanDerWaalsContact CD2-CE2 3.5Å; L166-F170 WeakPolarHBondContact O-CB 3.4Å; L166-F170 PolarHBondContact O-N 2.98Å; L166-S175 PolarHBondContact O-OG 2.92Å
167A84.7Confident87.6Confident2 Ų249 Ų492%0.01724%0.24CC..Hα-helixtrans-67.2-36.3178.700000112.2I163 G164 Y165 G171 R172 S175I163-A167 VanDerWaalsContact O-CB 3.26Å; I163-A167 WeakPolarHBondContact O-CB 3.46Å; I163-A167 PolarHBondContact O-N 3.36Å; G164-A167 WeakPolarHBondContact O-CB 3.39Å; G164-A167 PolarHBondContact O-N 3.25Å; G164-A167 VanDerWaalsContact O-N 3.1Å; Y165-A167 VanDerWaalsContact C-N 3.3Å; Y165-A167 PolarHBondContact O-N 3.42Å; A167-G171 CarbonylContact O-C 3.57Å; A167-G171 VanDerWaalsContact O-C 3.25Å; A167-G171 WeakPolarHBondContact O-CA 3.11Å; A167-G171 PolarHBondContact O-N 3.11Å; A167-R172 PolarHBondContact O-NH1 3.38Å; A167-S175 WeakPolarHBondContact CA-OG 3.45Å; A167-S175 PolarHBondContact N-OG 3.04Å
168D82.5Confident87.7Confident82 Ų8251.8 Ų51.844%0.43925%0.253SS..Hα-helixtrans-69.7-34173.6-68.7-32.6000112G164 Y165 R172 W285 Q289G164-D168 PolarHBondContact O-N 3.37Å; Y165-D168 PolarHBondContact O-N 3.31Å; D168-R172 IonicContact OD1-CZ 3.1Å; D168-R172 IonicContact OD1-NH1 3.83Å; D168-R172 PolarHBondContact OD1-NH1 3.03Å; D168-R172 IonicContact OD1-NH2 3.91Å; D168-R172 PolarHBondContact OD1-NH2 3.16Å; D168-W285 PolarHBondContact O-NE1 2.94Å; D168-Q289 PolarHBondContact O-NE2 3.02Å
169R82.2Confident87.8Confident149 Ų14947.7 Ų47.756%0.56223%0.232SC*.Hα-helixtrans-89-43.6-175.7-172.5169.8-177.3166.8-2.3114.8Y165 L166Y165-R169 WeakPolarHBondContact O-CB 3.39Å; Y165-R169 PolarHBondContact O-N 3.01Å; Y165-R169 PolarHBondContact OH-NH1 3.37Å; L166-R169 PolarHBondContact O-N 3.18Å
170F85.8Confident88Confident111 Ų11147.8 Ų47.849%0.48723%0.233SC..Hα-helixtrans-104-14.1-173.2-66.8-76000113.6L166 W285L166-F170 HydrophobicContact CB-CD2 4.36Å; L166-F170 HydrophobicContact CD2-CD2 3.59Å; L166-F170 HydrophobicContact CD2-CE2 3.5Å; L166-F170 VanDerWaalsContact CD2-CE2 3.5Å; L166-F170 WeakPolarHBondContact O-CB 3.4Å; L166-F170 PolarHBondContact O-N 2.98Å; F170-W285 VanDerWaalsContact C-CZ2 3.44Å
171G85.6Confident88.5Confident0 Ų050 Ų500%025%0.246CC..  trans112.7154.417900000112.8A167 S175 W285A167-G171 CarbonylContact O-C 3.57Å; A167-G171 VanDerWaalsContact O-C 3.25Å; A167-G171 WeakPolarHBondContact O-CA 3.11Å; A167-G171 PolarHBondContact O-N 3.11Å; G171-S175 WeakPolarHBondContact O-CB 3.27Å; G171-S175 PolarHBondContact O-N 3.14Å; G171-S175 PolarHBondContact O-OG 3.31Å; G171-W285 VanDerWaalsContact CA-CE2 3.41Å; G171-W285 VanDerWaalsContact CA-CZ2 3.41Å
172R88.3Confident88.9Confident30 Ų3047.8 Ų47.811%0.11324%0.235CC..Hα-helixtrans-66.5-45.6-176.3-56.7-58.8-177.9-148.5-3.3111.2A167 D168 F176 L220 E223 E281A167-R172 PolarHBondContact O-NH1 3.38Å; D168-R172 IonicContact OD1-CZ 3.1Å; D168-R172 IonicContact OD1-NH1 3.83Å; D168-R172 PolarHBondContact OD1-NH1 3.03Å; D168-R172 IonicContact OD1-NH2 3.91Å; D168-R172 PolarHBondContact OD1-NH2 3.16Å; R172-F176 VanDerWaalsContact O-CB 3.32Å; R172-F176 WeakPolarHBondContact O-CB 3.43Å; R172-F176 PolarHBondContact O-N 3.3Å; R172-L220 HydrophobicContact CB-CB 4.12Å; R172-L220 HydrophobicContact CB-CD1 4.08Å; R172-E223 IonicContact CZ-OE1 3.39Å; R172-E223 IonicContact NE-OE1 2.88Å; R172-E223 PolarHBondContact NE-OE1 3.33Å; R172-E223 IonicContact NE-OE2 3.87Å; R172-E223 IonicContact NH2-OE1 3.25Å; R172-E281 PolarHBondContact N-OE1 2.94Å
173K91.4Very high89.2Confident37 Ų3746.3 Ų46.316%0.16122%0.222CC..Hα-helixtrans-65.5-43.6-179.4178.5-175.6172169.40112F176 L177 Y276 I279 E281K173-F176 WeakPolarHBondContact O-CB 3.32Å; K173-F176 PolarHBondContact O-N 3Å; K173-L177 HydrophobicContact CG-CD1 4.13Å; K173-L177 WeakPolarHBondContact O-CG 3.5Å; K173-L177 PolarHBondContact O-N 3.03Å; K173-Y276 WeakPolarHBondContact CE-O 3.32Å; K173-Y276 PolarHBondContact NZ-O 3.14Å; K173-I279 WeakPolarHBondContact CD-O 3.24Å; K173-I279 VanDerWaalsContact CE-O 3.23Å; K173-I279 WeakPolarHBondContact CE-O 3.32Å; K173-I279 PolarHBondContact NZ-O 2.78Å; K173-E281 WeakPolarHBondContact CB-OE2 3.29Å; K173-E281 PolarHBondContact N-OE1 3.31Å; K173-E281 PolarHBondContact N-OE2 3.45Å
174M90.8Very high89.5Confident98 Ų9846.3 Ų46.348%0.48322%0.224SC..Hα-helixtrans-66.3-45.8-178.9-170.461.1113.400111.2F176 L177 M178M174-F176 VanDerWaalsContact C-N 3.32Å; M174-F176 PolarHBondContact O-N 2.78Å; M174-L177 PolarHBondContact O-N 2.95Å; M174-L177 VanDerWaalsContact O-N 3.16Å; M174-M178 HydrophobicContact CG-CG 4.41Å; M174-M178 HydrophobicContact CG-SD 4.13Å; M174-M178 WeakPolarHBondContact O-CG 3.13Å; M174-M178 PolarHBondContact O-N 3.35Å
175S91.1Very high90.2Very high2 Ų249.9 Ų49.91%0.01424%0.236CC..Hα-helixtrans-62.5-39176.7-69.70000112.8L166 A167 G171 S179L166-S175 PolarHBondContact O-OG 2.92Å; A167-S175 WeakPolarHBondContact CA-OG 3.45Å; A167-S175 PolarHBondContact N-OG 3.04Å; G171-S175 WeakPolarHBondContact O-CB 3.27Å; G171-S175 PolarHBondContact O-N 3.14Å; G171-S175 PolarHBondContact O-OG 3.31Å; S175-S179 WeakPolarHBondContact O-CB 3.18Å; S175-S179 PolarHBondContact O-N 3.34Å; S175-S179 PolarHBondContact O-OG 3.33Å
176F92.5Very high90.8Very high4 Ų443.3 Ų43.32%0.01821%0.21CC..Hα-helixtrans-56.9-50.4171.2173-95.3000111.5L25 V28 R172 K173 M174 S179 N180 G213 A216 F272 Y275L25-F176 HydrophobicContact CD2-CE2 4.23Å; L25-F176 HydrophobicContact CD2-CZ 4.21Å; V28-F176 HydrophobicContact CB-CE2 4.34Å; V28-F176 HydrophobicContact CB-CZ 4.43Å; V28-F176 HydrophobicContact CG1-CE2 3.78Å; V28-F176 HydrophobicContact CG1-CZ 4.04Å; V28-F176 HydrophobicContact CG2-CE2 4.03Å; V28-F176 HydrophobicContact CG2-CZ 3.68Å; R172-F176 VanDerWaalsContact O-CB 3.32Å; R172-F176 WeakPolarHBondContact O-CB 3.43Å; R172-F176 PolarHBondContact O-N 3.3Å; K173-F176 WeakPolarHBondContact O-CB 3.32Å; K173-F176 PolarHBondContact O-N 3Å; M174-F176 VanDerWaalsContact C-N 3.32Å; M174-F176 PolarHBondContact O-N 2.78Å; F176-S179 WeakPolarHBondContact O-CB 3.16Å; F176-S179 PolarHBondContact O-N 3.32Å; F176-N180 WeakPolarHBondContact CE1-ND2 3.39Å; F176-N180 WeakPolarHBondContact CE2-ND2 3.23Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.45Å; F176-N180 PolarHBondContact O-N 3.22Å; F176-N180 PolarHBondContact O-ND2 3.32Å; F176-G213 WeakPolarHBondContact CD2-O 3.38Å; F176-A216 HydrophobicContact CB-CB 4.37Å; F176-F272 HydrophobicContact CZ-CB 4.48Å; F176-Y275 HydrophobicContact CE1-CD2 4.21Å; F176-Y275 HydrophobicContact CZ-CD2 4.28Å
177L93.8Very high91.4Very high16 Ų1640.9 Ų40.98%0.08420%0.198CC..Hα-helixtrans-66.2-43.3-178.9-69.1168.3000112.7K173 M174 S179 N180 V181 Y276K173-L177 HydrophobicContact CG-CD1 4.13Å; K173-L177 WeakPolarHBondContact O-CG 3.5Å; K173-L177 PolarHBondContact O-N 3.03Å; M174-L177 PolarHBondContact O-N 2.95Å; M174-L177 VanDerWaalsContact O-N 3.16Å; L177-S179 VanDerWaalsContact C-N 3.25Å; L177-S179 PolarHBondContact O-N 3.37Å; L177-N180 PolarHBondContact O-N 3.25Å; L177-N180 VanDerWaalsContact O-N 3.14Å; L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 3.49Å; L177-Y276 HydrophobicContact CD1-CD2 3.55Å; L177-Y276 HydrophobicContact CD1-CG 4.2Å
178M93.4Very high91.9Very high96 Ų9643.7 Ų43.747%0.47321%0.212SC..Hα-helixtrans-58.2-40.8175.2-72.217866.300111.5M174 V181 L182M174-M178 HydrophobicContact CG-CG 4.41Å; M174-M178 HydrophobicContact CG-SD 4.13Å; M174-M178 WeakPolarHBondContact O-CG 3.13Å; M174-M178 PolarHBondContact O-N 3.35Å; M178-V181 PolarHBondContact O-N 3.38Å; M178-L182 PolarHBondContact O-N 3.09Å
179S93.9Very high92.6Very high3 Ų342.6 Ų42.62%0.02121%0.206CC..Hα-helixtrans-63-43.1175.9-57.60000111.8I163 S175 F176 L177 L182 N183 G209 G213I163-S179 WeakPolarHBondContact CG2-OG 3.36Å; S175-S179 WeakPolarHBondContact O-CB 3.18Å; S175-S179 PolarHBondContact O-N 3.34Å; S175-S179 PolarHBondContact O-OG 3.33Å; F176-S179 WeakPolarHBondContact O-CB 3.16Å; F176-S179 PolarHBondContact O-N 3.32Å; L177-S179 VanDerWaalsContact C-N 3.25Å; L177-S179 PolarHBondContact O-N 3.37Å; S179-L182 PolarHBondContact O-N 3.3Å; S179-N183 WeakPolarHBondContact O-CB 3.38Å; S179-N183 PolarHBondContact O-N 3.45Å; S179-N183 PolarHBondContact O-ND2 2.82Å; S179-N183 VanDerWaalsContact O-ND2 3.15Å; S179-N183 PolarHBondContact O-OD1 3.08Å; S179-G209 WeakPolarHBondContact CB-O 3.37Å; S179-G213 PolarHBondContact OG-N 3.39Å
180N94.2Very high93.3Very high2 Ų235.5 Ų35.51%0.01118%0.179CC..Hα-helixtrans-65.3-39.4176.9-77.3-81.2000112.6F176 L177 N183 G184 Y269 L273F176-N180 WeakPolarHBondContact CE1-ND2 3.39Å; F176-N180 WeakPolarHBondContact CE2-ND2 3.23Å; F176-N180 WeakPolarHBondContact CZ-ND2 3.45Å; F176-N180 PolarHBondContact O-N 3.22Å; F176-N180 PolarHBondContact O-ND2 3.32Å; L177-N180 PolarHBondContact O-N 3.25Å; L177-N180 VanDerWaalsContact O-N 3.14Å; N180-N183 PolarHBondContact O-N 3.14Å; N180-G184 PolarHBondContact O-N 3.48Å; N180-Y269 WeakPolarHBondContact OD1-CD1 3.47Å; N180-L273 HydrophobicContact CB-CD2 3.78Å
181V95.3Very high93.7Very high66 Ų6630.5 Ų30.540%0.416%0.158SC..Hα-helixtrans-60.1-48.6173.6173.10000110.1L177 M178 N183 G184 I185 L273L177-V181 WeakPolarHBondContact O-CG2 3.38Å; L177-V181 PolarHBondContact O-N 3.49Å; M178-V181 PolarHBondContact O-N 3.38Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.04Å; V181-G184 PolarHBondContact O-N 3.31Å; V181-I185 HydrophobicContact CG1-CD1 3.86Å; V181-I185 WeakPolarHBondContact O-CG1 3.49Å; V181-I185 PolarHBondContact O-N 2.98Å; V181-L273 HydrophobicContact CB-CD2 4.48Å; V181-L273 HydrophobicContact CG2-CD1 4.14Å; V181-L273 HydrophobicContact CG2-CD2 3.47Å; V181-L273 VanDerWaalsContact CG2-CD2 3.47Å; V181-L273 HydrophobicContact CG2-CG 4.47Å
182L95.1Very high94.2Very high52 Ų5234.7 Ų34.727%0.27218%0.183SC..Hα-helixtrans-60.6-42.4178.1-179.460.7000111.5M178 S179 I185 A186 F208M178-L182 PolarHBondContact O-N 3.09Å; S179-L182 PolarHBondContact O-N 3.3Å; L182-I185 PolarHBondContact O-N 3.34Å; L182-A186 WeakPolarHBondContact O-CB 3.34Å; L182-A186 PolarHBondContact O-N 3.34Å; L182-F208 HydrophobicContact CD2-CD1 3.44Å; L182-F208 VanDerWaalsContact CD2-CD1 3.44Å; L182-F208 HydrophobicContact CD2-CE1 3.93Å
183N94.3Very high94.6Very high2 Ų233.3 Ų33.31%0.01118%0.178CC..Hα-helixtrans-64.1-42.7177.8-65.9-19.5000112.2S179 N180 V181 G187 Y206 G209 V210 Y269S179-N183 WeakPolarHBondContact O-CB 3.38Å; S179-N183 PolarHBondContact O-N 3.45Å; S179-N183 PolarHBondContact O-ND2 2.82Å; S179-N183 VanDerWaalsContact O-ND2 3.15Å; S179-N183 PolarHBondContact O-OD1 3.08Å; N180-N183 PolarHBondContact O-N 3.14Å; V181-N183 VanDerWaalsContact C-N 3.32Å; V181-N183 PolarHBondContact O-N 3.04Å; N183-G187 WeakPolarHBondContact O-CA 3.35Å; N183-G187 PolarHBondContact O-N 3.32Å; N183-Y206 HydrophobicContact CB-CD2 4.33Å; N183-Y206 HydrophobicContact CB-CE2 4.05Å; N183-Y206 WeakPolarHBondContact O-CD2 3.39Å; N183-Y206 VanDerWaalsContact O-CE2 3.25Å; N183-Y206 WeakPolarHBondContact O-CE2 3.32Å; N183-Y206 PolarHBondContact OD1-O 2.88Å; N183-G209 PolarHBondContact ND2-O 3.04Å; N183-G209 WeakPolarHBondContact OD1-CA 2.93Å; N183-V210 HydrophobicContact CB-CG2 4.22Å; N183-V210 VanDerWaalsContact CG-CG2 3.4Å; N183-V210 WeakPolarHBondContact ND2-CA 3.45Å; N183-V210 WeakPolarHBondContact ND2-CG2 3.26Å; N183-V210 PolarHBondContact ND2-N 3.49Å; N183-V210 WeakPolarHBondContact OD1-CG2 3.47Å; N183-V210 PolarHBondContact OD1-N 3.25Å; N183-Y269 HydrophobicContact CB-CD1 4.05Å; N183-Y269 HydrophobicContact CB-CD2 4.3Å; N183-Y269 HydrophobicContact CB-CG 3.91Å
184G95.3Very high94.7Very high7 Ų736.3 Ų36.37%0.07220%0.202CC..Hα-helixtrans-59.6-46.6176.100000111.8N180 V181 I188N180-G184 PolarHBondContact O-N 3.48Å; V181-G184 PolarHBondContact O-N 3.31Å; G184-I188 VanDerWaalsContact O-CG1 3.24Å; G184-I188 WeakPolarHBondContact O-CG1 3.49Å; G184-I188 PolarHBondContact O-N 3.11Å
185I96.4Very high94.9Very high99 Ų9935.1 Ų35.151%0.50820%0.197SC..Hα-helixtrans-68.5-54.8179.2-63.1168.5000110.6V181 L182 G187 I188 L189V181-I185 HydrophobicContact CG1-CD1 3.86Å; V181-I185 WeakPolarHBondContact O-CG1 3.49Å; V181-I185 PolarHBondContact O-N 2.98Å; L182-I185 PolarHBondContact O-N 3.34Å; I185-G187 VanDerWaalsContact C-N 3.33Å; I185-G187 PolarHBondContact O-N 3.28Å; I185-I188 PolarHBondContact O-N 2.61Å; I185-L189 HydrophobicContact CG2-CD1 3.88Å; I185-L189 HydrophobicContact CG2-CG 4.38Å; I185-L189 VanDerWaalsContact O-CG 3.32Å; I185-L189 WeakPolarHBondContact O-CG 3.39Å; I185-L189 PolarHBondContact O-N 3.34Å
186A96.5Very high95Very high1 Ų136.2 Ų36.21%0.00820%0.201CC..Hα-helixtrans-63.4-38.6-17600000112L182 L189 V190 L205 Y206L182-A186 WeakPolarHBondContact O-CB 3.34Å; L182-A186 PolarHBondContact O-N 3.34Å; A186-L189 PolarHBondContact O-N 3.45Å; A186-V190 WeakPolarHBondContact O-CG2 3.4Å; A186-V190 PolarHBondContact O-N 3.43Å; A186-L205 HydrophobicContact CB-CB 4.03Å; A186-Y206 HydrophobicContact CB-CD2 4.22Å
187G95.6Very high95.1Very high0 Ų041.6 Ų41.60%023%0.229CC..Hα-helixtrans-66.3-38.2178.700000113.3N183 I185 V190 A191 Q262 T266N183-G187 WeakPolarHBondContact O-CA 3.35Å; N183-G187 PolarHBondContact O-N 3.32Å; I185-G187 VanDerWaalsContact C-N 3.33Å; I185-G187 PolarHBondContact O-N 3.28Å; G187-V190 PolarHBondContact O-N 3.29Å; G187-A191 PolarHBondContact O-N 3.45Å; G187-Q262 PolarHBondContact O-NE2 3.18Å; G187-T266 WeakPolarHBondContact CA-OG1 3.13Å
188I96.5Very high95.2Very high61 Ų6142.4 Ų42.431%0.31324%0.236SC..Hα-helixtrans-68.6-41.3172.4-65.3-68000110.4G184 I185 V190 A191 V192 V263 T266G184-I188 VanDerWaalsContact O-CG1 3.24Å; G184-I188 WeakPolarHBondContact O-CG1 3.49Å; G184-I188 PolarHBondContact O-N 3.11Å; I185-I188 PolarHBondContact O-N 2.61Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 PolarHBondContact O-N 3.15Å; I188-A191 WeakPolarHBondContact O-CA 3.49Å; I188-A191 WeakPolarHBondContact O-CB 3.47Å; I188-A191 PolarHBondContact O-N 2.6Å; I188-V192 WeakPolarHBondContact O-CG2 3.43Å; I188-V192 PolarHBondContact O-N 3.42Å; I188-V263 HydrophobicContact CD1-CG1 4.13Å; I188-V263 HydrophobicContact CD1-CG2 4.25Å; I188-T266 HydrophobicContact CG1-CG2 4.23Å
189L96.9Very high95.3Very high59 Ų5937.9 Ų37.931%0.30921%0.213SC..Hα-helixtrans-59.6-37.7175.6-71.9174.7000112.4I185 A186 A191 V192 A193 F202I185-L189 HydrophobicContact CG2-CD1 3.88Å; I185-L189 HydrophobicContact CG2-CG 4.38Å; I185-L189 VanDerWaalsContact O-CG 3.32Å; I185-L189 WeakPolarHBondContact O-CG 3.39Å; I185-L189 PolarHBondContact O-N 3.34Å; A186-L189 PolarHBondContact O-N 3.45Å; L189-A191 VanDerWaalsContact C-N 3.33Å; L189-A191 PolarHBondContact O-N 3.23Å; L189-V192 HydrophobicContact CD2-CG2 4.49Å; L189-V192 PolarHBondContact O-N 2.99Å; L189-A193 PolarHBondContact O-N 3.12Å; L189-F202 HydrophobicContact CB-CB 4.08Å; L189-F202 HydrophobicContact CB-CD1 3.94Å; L189-F202 HydrophobicContact CB-CD2 3.72Å; L189-F202 HydrophobicContact CB-CE1 4.29Å; L189-F202 HydrophobicContact CB-CE2 4.06Å; L189-F202 HydrophobicContact CB-CG 3.65Å; L189-F202 HydrophobicContact CB-CZ 4.34Å; L189-F202 HydrophobicContact CD1-CD1 4.02Å; L189-F202 HydrophobicContact CD1-CE1 3.99Å; L189-F202 HydrophobicContact CD2-CZ 4.35Å; L189-F202 VanDerWaalsContact O-CD2 3.22Å; L189-F202 WeakPolarHBondContact O-CD2 3.24Å
190V96.4Very high95.4Very high0 Ų038.5 Ų38.50%022%0.217CC..Hα-helixtrans-59.4-44.6171.4172.70000110.6A186 G187 I188 V192 A193 L199 F202 R203 Q262A186-V190 WeakPolarHBondContact O-CG2 3.4Å; A186-V190 PolarHBondContact O-N 3.43Å; G187-V190 PolarHBondContact O-N 3.29Å; I188-V190 VanDerWaalsContact C-N 3.29Å; I188-V190 PolarHBondContact O-N 3.15Å; V190-V192 VanDerWaalsContact C-N 3.33Å; V190-V192 PolarHBondContact O-N 3.19Å; V190-A193 WeakPolarHBondContact O-CB 3.45Å; V190-A193 PolarHBondContact O-N 3.48Å; V190-L199 HydrophobicContact CB-CD1 4.48Å; V190-L199 HydrophobicContact CG1-CD1 3.69Å; V190-L199 WeakPolarHBondContact O-CD1 3.44Å; V190-F202 HydrophobicContact CG2-CB 3.68Å; V190-R203 HydrophobicContact CG2-CB 4.39Å; V190-Q262 HydrophobicContact CB-CG 4.14Å; V190-Q262 HydrophobicContact CG1-CG 3.82Å
191A95.5Very high95.5Very high5 Ų542 Ų424%0.04124%0.238CC..Hα-helixtrans-68.9-27-178.400000113.9G187 I188 L189 R259 Q262 V263G187-A191 PolarHBondContact O-N 3.45Å; I188-A191 WeakPolarHBondContact O-CA 3.49Å; I188-A191 WeakPolarHBondContact O-CB 3.47Å; I188-A191 PolarHBondContact O-N 2.6Å; L189-A191 VanDerWaalsContact C-N 3.33Å; L189-A191 PolarHBondContact O-N 3.23Å; A191-R259 WeakPolarHBondContact O-CG 3.48Å; A191-R259 PolarHBondContact O-NH1 3.14Å; A191-Q262 HydrophobicContact CB-CB 4.14Å; A191-Q262 HydrophobicContact CB-CG 3.94Å; A191-V263 HydrophobicContact CB-CG2 3.63Å
192V96.1Very high95.6Very high89 Ų8940.9 Ų40.954%0.53923%0.228SC..THydrogen-bonded Turntrans-104.28.6179.3-56.30000113.5I188 L189 V190I188-V192 WeakPolarHBondContact O-CG2 3.43Å; I188-V192 PolarHBondContact O-N 3.42Å; L189-V192 HydrophobicContact CD2-CG2 4.49Å; L189-V192 PolarHBondContact O-N 2.99Å; V190-V192 VanDerWaalsContact C-N 3.33Å; V190-V192 PolarHBondContact O-N 3.19Å
193A95.7Very high95.6Very high0 Ų038.4 Ų38.40%022%0.215CC..  trans-57.9127.9-176.300000111.2L189 V190 L199 F202 R259L189-A193 PolarHBondContact O-N 3.12Å; V190-A193 WeakPolarHBondContact O-CB 3.45Å; V190-A193 PolarHBondContact O-N 3.48Å; A193-L199 HydrophobicContact CB-CB 3.89Å; A193-L199 HydrophobicContact CB-CD1 3.87Å; A193-F202 HydrophobicContact CB-CD2 4.11Å; A193-F202 HydrophobicContact CB-CE2 4.42Å; A193-R259 PolarHBondContact O-NH1 3.31Å; A193-R259 PolarHBondContact O-NH2 2.84Å
194P92.8Very high95.7Very high101 Ų10140 Ų4066%0.65623%0.225SC*.  trans-87-23.8-176.532.2-35.2000113.5
195N94.7Very high95.7Very high73 Ų7343.2 Ų43.239%0.3924%0.24SC..SBendtrans-139.4163.5-17966.547.5000110.5I197 S198 L199N195-I197 PolarHBondContact O-N 3.06Å; N195-I197 PolarHBondContact OD1-N 3.32Å; N195-S198 PolarHBondContact O-N 3.46Å; N195-S198 WeakPolarHBondContact OD1-CB 3.41Å; N195-S198 PolarHBondContact OD1-N 3.28Å; N195-S198 PolarHBondContact OD1-OG 2.75Å; N195-L199 PolarHBondContact O-N 3.29Å
196Y93.6Very high95.7Very high24 Ų2438.5 Ų38.59%0.09422%0.216CC..Hα-helixtrans-65.1-36.9-174-170.6-110.7000113.7F135 L137 L144 L199 L200F135-Y196 HydrophobicContact CB-CD2 4.24Å; F135-Y196 HydrophobicContact CD2-CD2 4.08Å; F135-Y196 HydrophobicContact CG-CD2 4.13Å; L137-Y196 HydrophobicContact CD1-CD2 3.79Å; L137-Y196 HydrophobicContact CD1-CE2 3.32Å; L137-Y196 HydrophobicContact CD2-CD2 4.18Å; L137-Y196 HydrophobicContact CD2-CE2 4.23Å; L137-Y196 HydrophobicContact CD2-CG 4.36Å; L137-Y196 HydrophobicContact CG-CE2 4.42Å; L144-Y196 HydrophobicContact CB-CE1 3.75Å; L144-Y196 HydrophobicContact CD1-CD1 4.4Å; L144-Y196 HydrophobicContact CD1-CE1 4.16Å; L144-Y196 HydrophobicContact CD2-CE1 3.92Å; L144-Y196 HydrophobicContact CG-CE1 4.16Å; L144-Y196 PolarHBondContact O-OH 3.02Å; Y196-L199 HydrophobicContact CD2-CD2 4.07Å; Y196-L199 HydrophobicContact CE2-CD2 4.12Å; Y196-L199 WeakPolarHBondContact O-CB 3.34Å; Y196-L199 PolarHBondContact O-N 3.15Å; Y196-L200 HydrophobicContact CD1-CD1 4.16Å; Y196-L200 HydrophobicContact CD1-CG 4.39Å; Y196-L200 HydrophobicContact CE1-CD1 3.63Å; Y196-L200 HydrophobicContact CE1-CD2 4.2Å; Y196-L200 HydrophobicContact CE1-CG 3.92Å; Y196-L200 HydrophobicContact CE2-CD2 4.5Å; Y196-L200 WeakPolarHBondContact O-CG 3.16Å; Y196-L200 PolarHBondContact O-N 3.49Å
197I95.1Very high95.6Very high118 Ų11838.5 Ų38.561%0.60522%0.215SC*.Hα-helixtrans-67.7-44.5179.6-58.2-57.2000111N195 L199 L200 V201N195-I197 PolarHBondContact O-N 3.06Å; N195-I197 PolarHBondContact OD1-N 3.32Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.9Å; I197-L200 PolarHBondContact O-N 3.33Å; I197-V201 WeakPolarHBondContact O-CG2 3.41Å; I197-V201 PolarHBondContact O-N 3.17Å
198S95.9Very high95.4Very high33 Ų3341.1 Ų41.123%0.23123%0.227CC..Hα-helixtrans-59.5-40.5173.1-65.70000111.1N195 L200 V201 F202N195-S198 PolarHBondContact O-N 3.46Å; N195-S198 WeakPolarHBondContact OD1-CB 3.41Å; N195-S198 PolarHBondContact OD1-N 3.28Å; N195-S198 PolarHBondContact OD1-OG 2.75Å; S198-L200 PolarHBondContact O-N 3.36Å; S198-V201 PolarHBondContact O-N 2.77Å; S198-F202 WeakPolarHBondContact O-CB 3.39Å; S198-F202 WeakPolarHBondContact O-CD2 3.36Å; S198-F202 WeakPolarHBondContact O-CG 3.32Å; S198-F202 PolarHBondContact O-N 2.89Å
199L95.8Very high95.2Very high0 Ų038.2 Ų38.20%021%0.212CC..Hα-helixtrans-56.8-47.8174.8-177.770.5000111.6F131 F135 Y148 V190 A193 N195 Y196 I197 F202 R203 W258F131-L199 HydrophobicContact CB-CD2 4.37Å; F131-L199 HydrophobicContact CD2-CD2 4.45Å; F131-L199 HydrophobicContact CG-CD2 4.48Å; F135-L199 HydrophobicContact CD2-CD2 4.24Å; F135-L199 HydrophobicContact CE2-CD2 3.86Å; Y148-L199 HydrophobicContact CD2-CD2 3.93Å; Y148-L199 HydrophobicContact CD2-CG 4.1Å; Y148-L199 HydrophobicContact CE2-CD1 4.06Å; Y148-L199 HydrophobicContact CE2-CD2 3.79Å; Y148-L199 HydrophobicContact CE2-CG 3.74Å; V190-L199 HydrophobicContact CB-CD1 4.48Å; V190-L199 HydrophobicContact CG1-CD1 3.69Å; V190-L199 WeakPolarHBondContact O-CD1 3.44Å; A193-L199 HydrophobicContact CB-CB 3.89Å; A193-L199 HydrophobicContact CB-CD1 3.87Å; N195-L199 PolarHBondContact O-N 3.29Å; Y196-L199 HydrophobicContact CD2-CD2 4.07Å; Y196-L199 HydrophobicContact CE2-CD2 4.12Å; Y196-L199 WeakPolarHBondContact O-CB 3.34Å; Y196-L199 PolarHBondContact O-N 3.15Å; I197-L199 VanDerWaalsContact C-N 3.27Å; I197-L199 PolarHBondContact O-N 2.9Å; L199-F202 PolarHBondContact O-N 3.22Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.4Å; L199-W258 HydrophobicContact CD1-CH2 4Å; L199-W258 HydrophobicContact CD1-CZ3 4.15Å
200L96.3Very high95Very high17 Ų1735.6 Ų35.69%0.08920%0.198CC..Hα-helixtrans-63.1-42.6177.8-68-178.8000113L147 Y148 T151 Y196 I197 S198 R203 T204L147-L200 HydrophobicContact CD2-CD1 3.68Å; L147-L200 HydrophobicContact CG-CD1 4.17Å; L147-L200 HydrophobicContact CG-CD2 4.46Å; Y148-L200 HydrophobicContact CD2-CD2 4.32Å; T151-L200 HydrophobicContact CG2-CD2 4.26Å; Y196-L200 HydrophobicContact CD1-CD1 4.16Å; Y196-L200 HydrophobicContact CD1-CG 4.39Å; Y196-L200 HydrophobicContact CE1-CD1 3.63Å; Y196-L200 HydrophobicContact CE1-CD2 4.2Å; Y196-L200 HydrophobicContact CE1-CG 3.92Å; Y196-L200 HydrophobicContact CE2-CD2 4.5Å; Y196-L200 WeakPolarHBondContact O-CG 3.16Å; Y196-L200 PolarHBondContact O-N 3.49Å; I197-L200 PolarHBondContact O-N 3.33Å; S198-L200 PolarHBondContact O-N 3.36Å; L200-R203 PolarHBondContact O-N 3.34Å; L200-T204 PolarHBondContact O-N 3.02Å; L200-T204 PolarHBondContact O-OG1 3.04Å
201V96.8Very high94.6Very high75 Ų7536.7 Ų36.746%0.45520%0.203SC..Hα-helixtrans-62.7-49.6178.1172.40000110.2I197 S198 R203 T204 L205I197-V201 WeakPolarHBondContact O-CG2 3.41Å; I197-V201 PolarHBondContact O-N 3.17Å; S198-V201 PolarHBondContact O-N 2.77Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.19Å; V201-T204 WeakPolarHBondContact O-CB 3.43Å; V201-T204 PolarHBondContact O-N 3.28Å; V201-L205 HydrophobicContact CG1-CD1 4.39Å; V201-L205 WeakPolarHBondContact O-CG 3.45Å; V201-L205 PolarHBondContact O-N 2.96Å
202F96.9Very high94.1Very high43 Ų4336.6 Ų36.619%0.18920%0.203CC..Hα-helixtrans-64.9-36.1178.6-58.2-33000111.9L189 V190 A193 S198 L199 T204 L205 Y206L189-F202 HydrophobicContact CB-CB 4.08Å; L189-F202 HydrophobicContact CB-CD1 3.94Å; L189-F202 HydrophobicContact CB-CD2 3.72Å; L189-F202 HydrophobicContact CB-CE1 4.29Å; L189-F202 HydrophobicContact CB-CE2 4.06Å; L189-F202 HydrophobicContact CB-CG 3.65Å; L189-F202 HydrophobicContact CB-CZ 4.34Å; L189-F202 HydrophobicContact CD1-CD1 4.02Å; L189-F202 HydrophobicContact CD1-CE1 3.99Å; L189-F202 HydrophobicContact CD2-CZ 4.35Å; L189-F202 VanDerWaalsContact O-CD2 3.22Å; L189-F202 WeakPolarHBondContact O-CD2 3.24Å; V190-F202 HydrophobicContact CG2-CB 3.68Å; A193-F202 HydrophobicContact CB-CD2 4.11Å; A193-F202 HydrophobicContact CB-CE2 4.42Å; S198-F202 WeakPolarHBondContact O-CB 3.39Å; S198-F202 WeakPolarHBondContact O-CD2 3.36Å; S198-F202 WeakPolarHBondContact O-CG 3.32Å; S198-F202 PolarHBondContact O-N 2.89Å; L199-F202 PolarHBondContact O-N 3.22Å; F202-T204 VanDerWaalsContact C-N 3.35Å; F202-T204 PolarHBondContact O-N 3.02Å; F202-L205 HydrophobicContact CD1-CD1 4.47Å; F202-L205 PolarHBondContact O-N 3.33Å; F202-Y206 WeakPolarHBondContact O-CB 3.41Å; F202-Y206 PolarHBondContact O-N 3.01Å
203R95.3Very high93.7Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-63.9-39.6175-171.362.4169.6155.74.4112V35 Y148 L152 V190 L199 L200 V201 Y206 G207V35-R203 PolarHBondContact O-NH2 2.89Å; Y148-R203 HydrophobicContact CD2-CG 4.21Å; Y148-R203 HydrophobicContact CE1-CG 4.33Å; Y148-R203 VanDerWaalsContact CE1-NE 3.3Å; Y148-R203 HydrophobicContact CE2-CB 4.17Å; Y148-R203 HydrophobicContact CE2-CG 3.85Å; Y148-R203 VanDerWaalsContact CZ-NE 3.3Å; Y148-R203 WeakPolarHBondContact OH-CD 3.46Å; Y148-R203 PolarHBondContact OH-NE 3.44Å; L152-R203 HydrophobicContact CB-CG 4.18Å; L152-R203 HydrophobicContact CD1-CG 4.35Å; V190-R203 HydrophobicContact CG2-CB 4.39Å; L199-R203 WeakPolarHBondContact O-CB 3.48Å; L199-R203 PolarHBondContact O-N 3.4Å; L200-R203 PolarHBondContact O-N 3.34Å; V201-R203 VanDerWaalsContact C-N 3.3Å; V201-R203 PolarHBondContact O-N 3.19Å; R203-Y206 PolarHBondContact O-N 2.93Å; R203-G207 PolarHBondContact O-N 3.26Å
204T96.3Very high93.3Very high36 Ų3634.8 Ų34.822%0.22119%0.187CC..Hα-helixtrans-64.1-45.8174.5-52.60000111.2T151 G155 L200 V201 F202 Y206 G207 F208T151-T204 WeakPolarHBondContact CB-OG1 3.32Å; G155-T204 WeakPolarHBondContact CA-O 3.36Å; L200-T204 PolarHBondContact O-N 3.02Å; L200-T204 PolarHBondContact O-OG1 3.04Å; V201-T204 WeakPolarHBondContact O-CB 3.43Å; V201-T204 PolarHBondContact O-N 3.28Å; F202-T204 VanDerWaalsContact C-N 3.35Å; F202-T204 PolarHBondContact O-N 3.02Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 3.22Å; T204-G207 PolarHBondContact O-N 3.16Å; T204-F208 PolarHBondContact O-N 3.29Å
205L95.6Very high93Very high74 Ų7432.5 Ų32.539%0.38717%0.171SC..Hα-helixtrans-62.7-36.8176.3-69.2175.1000112.1A186 V201 F202 F208 G209A186-L205 HydrophobicContact CB-CB 4.03Å; V201-L205 HydrophobicContact CG1-CD1 4.39Å; V201-L205 WeakPolarHBondContact O-CG 3.45Å; V201-L205 PolarHBondContact O-N 2.96Å; F202-L205 HydrophobicContact CD1-CD1 4.47Å; F202-L205 PolarHBondContact O-N 3.33Å; L205-F208 WeakPolarHBondContact O-CB 3.43Å; L205-F208 PolarHBondContact O-N 3.26Å; L205-G209 PolarHBondContact O-N 3.13Å
206Y95.2Very high92.7Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-65.7-44.5175.1-170-126.7000111.3V35 N183 A186 F202 R203 T204 F208 G209 V210 T266 Y269V35-Y206 HydrophobicContact CB-CE1 3.89Å; V35-Y206 HydrophobicContact CG1-CD1 3.69Å; V35-Y206 HydrophobicContact CG1-CE1 3.42Å; V35-Y206 VanDerWaalsContact CG1-CE1 3.42Å; V35-Y206 HydrophobicContact CG2-CD1 4.38Å; V35-Y206 HydrophobicContact CG2-CE1 3.33Å; V35-Y206 VanDerWaalsContact CG2-CZ 3.43Å; V35-Y206 WeakPolarHBondContact CG2-OH 3.45Å; N183-Y206 HydrophobicContact CB-CD2 4.33Å; N183-Y206 HydrophobicContact CB-CE2 4.05Å; N183-Y206 WeakPolarHBondContact O-CD2 3.39Å; N183-Y206 VanDerWaalsContact O-CE2 3.25Å; N183-Y206 WeakPolarHBondContact O-CE2 3.32Å; N183-Y206 PolarHBondContact OD1-O 2.88Å; A186-Y206 HydrophobicContact CB-CD2 4.22Å; F202-Y206 WeakPolarHBondContact O-CB 3.41Å; F202-Y206 PolarHBondContact O-N 3.01Å; R203-Y206 PolarHBondContact O-N 2.93Å; T204-Y206 VanDerWaalsContact C-N 3.29Å; T204-Y206 PolarHBondContact O-N 3.22Å; Y206-F208 VanDerWaalsContact C-N 3.34Å; Y206-F208 PolarHBondContact O-N 3.07Å; Y206-G209 PolarHBondContact O-N 3.2Å; Y206-V210 HydrophobicContact CD2-CG2 4.21Å; Y206-V210 HydrophobicContact CE2-CG2 4.05Å; Y206-V210 VanDerWaalsContact O-CG2 3.23Å; Y206-V210 WeakPolarHBondContact O-CG2 3.37Å; Y206-V210 PolarHBondContact O-N 3.31Å; Y206-V210 VanDerWaalsContact O-N 3.16Å; Y206-T266 PolarHBondContact OH-OG1 2.86Å; Y206-Y269 WeakPolarHBondContact OH-CE2 3.39Å
207G93.8Very high92.4Very high0 Ų028.1 Ų28.10%015%0.15CC..Hα-helixtrans-57.2-46171.600000112.3L152 F156 R203 T204 G209 V210 K211L152-G207 VanDerWaalsContact CD1-CA 3.49Å; F156-G207 WeakPolarHBondContact CD1-O 3.47Å; R203-G207 PolarHBondContact O-N 3.26Å; T204-G207 PolarHBondContact O-N 3.16Å; G207-G209 VanDerWaalsContact C-N 3.35Å; G207-G209 PolarHBondContact O-N 3.05Å; G207-V210 PolarHBondContact O-N 3.49Å; G207-K211 PolarHBondContact O-N 3.37Å
208F93.3Very high92.1Very high56 Ų5625.7 Ų25.725%0.24613%0.134CC..Hα-helixtrans-51.8-50.3179.3179.4-79.2000112.5G155 I158 G159 A162 I163 L182 T204 L205 Y206G155-F208 VanDerWaalsContact O-CA 3.25Å; G155-F208 WeakPolarHBondContact O-CA 3.21Å; I158-F208 HydrophobicContact CB-CD2 4.28Å; I158-F208 HydrophobicContact CG2-CD2 3.97Å; I158-F208 HydrophobicContact CG2-CE2 3.9Å; G159-F208 VanDerWaalsContact CA-CD2 3.44Å; G159-F208 WeakPolarHBondContact CA-O 3.09Å; A162-F208 HydrophobicContact CB-CE2 3.69Å; A162-F208 HydrophobicContact CB-CZ 3.6Å; I163-F208 HydrophobicContact CD1-CD1 3.97Å; I163-F208 HydrophobicContact CD1-CE1 3.83Å; I163-F208 WeakPolarHBondContact CD1-O 3.35Å; I163-F208 HydrophobicContact CG1-CE1 3.93Å; I163-F208 HydrophobicContact CG1-CZ 4.38Å; L182-F208 HydrophobicContact CD2-CD1 3.44Å; L182-F208 VanDerWaalsContact CD2-CD1 3.44Å; L182-F208 HydrophobicContact CD2-CE1 3.93Å; T204-F208 PolarHBondContact O-N 3.29Å; L205-F208 WeakPolarHBondContact O-CB 3.43Å; L205-F208 PolarHBondContact O-N 3.26Å; Y206-F208 VanDerWaalsContact C-N 3.34Å; Y206-F208 PolarHBondContact O-N 3.07Å
209G91.9Very high91.6Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-73.8-36-178.400000113.9S179 N183 L205 Y206 G207 G213S179-G209 WeakPolarHBondContact CB-O 3.37Å; N183-G209 PolarHBondContact ND2-O 3.04Å; N183-G209 WeakPolarHBondContact OD1-CA 2.93Å; L205-G209 PolarHBondContact O-N 3.13Å; Y206-G209 PolarHBondContact O-N 3.2Å; G207-G209 VanDerWaalsContact C-N 3.35Å; G207-G209 PolarHBondContact O-N 3.05Å; G209-G213 PolarHBondContact O-N 3.35Å
210V91.7Very high91.3Very high3 Ų325.9 Ų25.92%0.01813%0.133CC..Hα-helixtrans-67.9-50.8-169.71690000112.4W32 V35 F156 N183 Y206 G207 G213 W214W32-V210 HydrophobicContact CB-CG1 4.46Å; W32-V210 HydrophobicContact CG-CG1 4.1Å; V35-V210 HydrophobicContact CB-CG1 4.27Å; V35-V210 HydrophobicContact CG1-CB 4.43Å; V35-V210 HydrophobicContact CG1-CG1 4.2Å; V35-V210 HydrophobicContact CG1-CG2 4.16Å; V35-V210 HydrophobicContact CG2-CG1 4.31Å; V35-V210 HydrophobicContact CG2-CG2 4.09Å; F156-V210 HydrophobicContact CE1-CB 4.11Å; F156-V210 HydrophobicContact CE1-CG1 4.17Å; N183-V210 HydrophobicContact CB-CG2 4.22Å; N183-V210 VanDerWaalsContact CG-CG2 3.4Å; N183-V210 WeakPolarHBondContact ND2-CA 3.45Å; N183-V210 WeakPolarHBondContact ND2-CG2 3.26Å; N183-V210 PolarHBondContact ND2-N 3.49Å; N183-V210 WeakPolarHBondContact OD1-CG2 3.47Å; N183-V210 PolarHBondContact OD1-N 3.25Å; Y206-V210 HydrophobicContact CD2-CG2 4.21Å; Y206-V210 HydrophobicContact CE2-CG2 4.05Å; Y206-V210 VanDerWaalsContact O-CG2 3.23Å; Y206-V210 WeakPolarHBondContact O-CG2 3.37Å; Y206-V210 PolarHBondContact O-N 3.31Å; Y206-V210 VanDerWaalsContact O-N 3.16Å; G207-V210 PolarHBondContact O-N 3.49Å; V210-G213 PolarHBondContact O-N 3.04Å; V210-W214 WeakPolarHBondContact O-CB 3.42Å; V210-W214 PolarHBondContact O-N 3.1Å
211K87.8Confident90.9Very high24 Ų2425.1 Ų25.110%0.10413%0.129CC..Hα-helixtrans-65.6-43.4-179179.4171.8176.4-174.20111.7F156 G207 G213 W214 V215 D469F156-K211 HydrophobicContact CB-CB 4.04Å; F156-K211 HydrophobicContact CB-CD 3.65Å; F156-K211 HydrophobicContact CB-CG 4.47Å; F156-K211 HydrophobicContact CD1-CB 3.46Å; F156-K211 VanDerWaalsContact CD1-CB 3.46Å; F156-K211 HydrophobicContact CE1-CB 4.22Å; F156-K211 HydrophobicContact CG-CB 3.97Å; F156-K211 HydrophobicContact CG-CD 4.22Å; G207-K211 PolarHBondContact O-N 3.37Å; K211-G213 PolarHBondContact O-N 2.97Å; K211-W214 PolarHBondContact O-N 2.95Å; K211-V215 HydrophobicContact CG-CG2 4.33Å; K211-V215 WeakPolarHBondContact O-CG2 3.24Å; K211-V215 PolarHBondContact O-N 3.31Å; K211-D469 IonicContact NZ-OD1 3.25Å; K211-D469 PolarHBondContact NZ-OD1 2.88Å; K211-D469 IonicContact NZ-OD2 2.76Å; K211-D469 PolarHBondContact NZ-OD2 3Å
212G84.9Confident90.3Very high3 Ų322.6 Ų22.63%0.03111%0.114CC..Hα-helixtrans-61.4-43.9178.800000112.8V215 A216G212-V215 PolarHBondContact O-N 3.45Å; G212-A216 VanDerWaalsContact O-CB 3.32Å; G212-A216 WeakPolarHBondContact O-CB 3.48Å; G212-A216 PolarHBondContact O-N 2.93Å
213G87.4Confident89.8Confident3 Ų321.8 Ų21.83%0.03111%0.111CC..Hα-helixtrans-63.5-42.1175.500000112.9F176 S179 G209 V210 K211 A216 G217F176-G213 WeakPolarHBondContact CD2-O 3.38Å; S179-G213 PolarHBondContact OG-N 3.39Å; G209-G213 PolarHBondContact O-N 3.35Å; V210-G213 PolarHBondContact O-N 3.04Å; K211-G213 PolarHBondContact O-N 2.97Å; G213-A216 PolarHBondContact O-N 3.49Å; G213-G217 PolarHBondContact O-N 2.72Å
214W88.7Confident89.3Confident47 Ų4721.9 Ų21.918%0.17811%0.111CC..Hα-helixtrans-62-47.2176.9-172.982.5000111.8S29 W32 V210 K211 G217 Y218 Y237S29-W214 PolarHBondContact OG-NE1 3.21Å; W32-W214 AromaticContact CD2-CD1 3.92Å; W32-W214 HydrophobicContact CD2-CD2 4.21Å; W32-W214 HydrophobicContact CD2-CG 4.06Å; W32-W214 AromaticContact CE3-CD1 3.57Å; W32-W214 AromaticContact CE3-CD2 3.74Å; W32-W214 HydrophobicContact CE3-CD2 3.74Å; W32-W214 AromaticContact CE3-CE2 3.3Å; W32-W214 AromaticContact CE3-CG 3.92Å; W32-W214 HydrophobicContact CE3-CG 3.92Å; W32-W214 AromaticContact CE3-CZ2 3.83Å; W32-W214 HydrophobicContact CE3-CZ2 3.83Å; W32-W214 AromaticContact CE3-NE1 3.18Å; W32-W214 HydrophobicContact CH2-CD2 4.13Å; W32-W214 HydrophobicContact CH2-CE3 4.12Å; W32-W214 AromaticContact CH2-CH2 3.97Å; W32-W214 HydrophobicContact CH2-CH2 3.97Å; W32-W214 AromaticContact CH2-CZ2 3.97Å; W32-W214 HydrophobicContact CH2-CZ2 3.97Å; W32-W214 HydrophobicContact CH2-CZ3 4.05Å; W32-W214 AromaticContact CZ3-CD2 3.72Å; W32-W214 HydrophobicContact CZ3-CD2 3.72Å; W32-W214 AromaticContact CZ3-CE2 3.21Å; W32-W214 HydrophobicContact CZ3-CE3 4.13Å; W32-W214 HydrophobicContact CZ3-CG 4.38Å; W32-W214 AromaticContact CZ3-CH2 3.72Å; W32-W214 HydrophobicContact CZ3-CH2 3.72Å; W32-W214 AromaticContact CZ3-CZ2 3.24Å; W32-W214 HydrophobicContact CZ3-CZ2 3.24Å; W32-W214 HydrophobicContact CZ3-CZ3 4.13Å; W32-W214 AromaticContact CZ3-NE1 3.62Å; V210-W214 WeakPolarHBondContact O-CB 3.42Å; V210-W214 PolarHBondContact O-N 3.1Å; K211-W214 PolarHBondContact O-N 2.95Å; W214-G217 PolarHBondContact O-N 3.01Å; W214-Y218 PolarHBondContact O-N 2.89Å; W214-Y237 AromaticContact CD1-CE1 3.89Å; W214-Y237 AromaticContact CD1-CZ 3.85Å; W214-Y237 HydrophobicContact CD2-CE1 4Å; W214-Y237 AromaticContact CE2-CE1 3.31Å; W214-Y237 HydrophobicContact CG-CE1 4.31Å; W214-Y237 HydrophobicContact CH2-CE1 4.42Å; W214-Y237 AromaticContact CZ2-CD1 3.88Å; W214-Y237 HydrophobicContact CZ2-CD1 3.88Å; W214-Y237 AromaticContact CZ2-CE1 3.56Å; W214-Y237 HydrophobicContact CZ2-CE1 3.56Å; W214-Y237 AromaticContact NE1-CE1 3.24Å; W214-Y237 AromaticContact NE1-CZ 3.58Å; W214-Y237 PolarHBondContact NE1-OH 2.89Å; W214-Y237 PolarHBondContact O-OH 3.49Å
215V86Confident88.7Confident53 Ų5320.2 Ų20.232%0.32110%0.101SC..Hα-helixtrans-64-44.7176.7174.70000111.6K211 G212 G217 Y218 V219K211-V215 HydrophobicContact CG-CG2 4.33Å; K211-V215 WeakPolarHBondContact O-CG2 3.24Å; K211-V215 PolarHBondContact O-N 3.31Å; G212-V215 PolarHBondContact O-N 3.45Å; V215-G217 VanDerWaalsContact C-N 3.28Å; V215-G217 PolarHBondContact O-N 2.66Å; V215-Y218 PolarHBondContact O-N 2.93Å; V215-V219 HydrophobicContact CG1-CG2 4.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.15Å; V215-V219 PolarHBondContact O-N 2.9Å
216A87.5Confident87.9Confident5 Ų516.8 Ų16.84%0.0418%0.084CC..Hα-helixtrans-60.6-39177.500000112F176 G212 G213 L220F176-A216 HydrophobicContact CB-CB 4.37Å; G212-A216 VanDerWaalsContact O-CB 3.32Å; G212-A216 WeakPolarHBondContact O-CB 3.48Å; G212-A216 PolarHBondContact O-N 2.93Å; G213-A216 PolarHBondContact O-N 3.49Å; A216-L220 WeakPolarHBondContact O-CB 3.43Å; A216-L220 PolarHBondContact O-N 2.96Å
217G89Confident87Confident0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-62.2-50.3173.300000112.1G213 W214 V215 V219 L220 I221G213-G217 PolarHBondContact O-N 2.72Å; W214-G217 PolarHBondContact O-N 3.01Å; V215-G217 VanDerWaalsContact C-N 3.28Å; V215-G217 PolarHBondContact O-N 2.66Å; G217-V219 PolarHBondContact O-N 3.44Å; G217-L220 PolarHBondContact O-N 3.46Å; G217-I221 VanDerWaalsContact O-CG1 3.32Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.15Å; G217-I221 VanDerWaalsContact O-N 3.07Å
218Y88Confident86.3Confident68 Ų6826 Ų2627%0.26713%0.132SC..Hα-helixtrans-56.8-46.9176.8174.9-105.6000112.7W214 V215 L220 I221 T222 Y237W214-Y218 PolarHBondContact O-N 2.89Å; V215-Y218 PolarHBondContact O-N 2.93Å; Y218-L220 PolarHBondContact O-N 3.04Å; Y218-I221 PolarHBondContact O-N 3.3Å; Y218-T222 HydrophobicContact CD2-CG2 4.45Å; Y218-T222 HydrophobicContact CE1-CG2 4.25Å; Y218-T222 HydrophobicContact CE2-CG2 3.98Å; Y218-T222 WeakPolarHBondContact O-CG2 3.39Å; Y218-T222 PolarHBondContact O-N 2.76Å; Y218-T222 VanDerWaalsContact O-N 3.1Å; Y218-T222 PolarHBondContact O-OG1 3.14Å; Y218-Y237 AromaticContact CD2-CD1 3.8Å; Y218-Y237 HydrophobicContact CD2-CD1 3.8Å; Y218-Y237 HydrophobicContact CD2-CE1 4.27Å; Y218-Y237 HydrophobicContact CD2-CG 4.38Å; Y218-Y237 HydrophobicContact CG-CD1 4.45Å; Y218-Y237 HydrophobicContact CG-CE1 4.49Å
219V86.3Confident85.7Confident35 Ų3526.9 Ų26.921%0.21214%0.136CC..Hα-helixtrans-62.4-45.3178.3174.20000110.8V215 G217 I221 T222 E223V215-V219 HydrophobicContact CG1-CG2 4.3Å; V215-V219 WeakPolarHBondContact O-CG2 3.15Å; V215-V219 PolarHBondContact O-N 2.9Å; G217-V219 PolarHBondContact O-N 3.44Å; V219-I221 VanDerWaalsContact C-N 3.29Å; V219-I221 PolarHBondContact O-N 3.33Å; V219-T222 PolarHBondContact O-N 3.04Å; V219-T222 VanDerWaalsContact O-N 3.16Å; V219-T222 PolarHBondContact O-OG1 3.32Å; V219-E223 HydrophobicContact CG1-CG 4.09Å; V219-E223 WeakPolarHBondContact CG1-OE1 3.39Å; V219-E223 WeakPolarHBondContact O-CB 3.43Å; V219-E223 VanDerWaalsContact O-CG 3.32Å; V219-E223 WeakPolarHBondContact O-CG 3.35Å; V219-E223 PolarHBondContact O-N 3.15Å
220L88.4Confident85.2Confident1 Ų129.5 Ų29.51%0.00515%0.146CC..Hα-helixtrans-57.6-42.2177.8-17958.9000112.3L25 R172 A216 G217 Y218 I224 I279L25-L220 HydrophobicContact CD1-CD2 4.09Å; L25-L220 HydrophobicContact CD1-CG 4.27Å; R172-L220 HydrophobicContact CB-CB 4.12Å; R172-L220 HydrophobicContact CB-CD1 4.08Å; A216-L220 WeakPolarHBondContact O-CB 3.43Å; A216-L220 PolarHBondContact O-N 2.96Å; G217-L220 PolarHBondContact O-N 3.46Å; Y218-L220 PolarHBondContact O-N 3.04Å; L220-I224 HydrophobicContact CD1-CD1 3.69Å; L220-I224 HydrophobicContact CD1-CG1 4.33Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 WeakPolarHBondContact O-CD1 3.47Å; L220-I224 VanDerWaalsContact O-CG1 3.25Å; L220-I224 WeakPolarHBondContact O-CG1 3.46Å; L220-I224 PolarHBondContact O-N 3.31Å; L220-I279 HydrophobicContact CD2-CG2 3.63Å
221I88.9Confident84.5Confident2 Ų232.2 Ų32.21%0.0116%0.156CC..Hα-helixtrans-61.2-50176.5-63.3169.2000110.7F22 L25 G217 Y218 V219 E223 I224 V225 V233 Y237F22-I221 HydrophobicContact CD2-CD1 4.29Å; F22-I221 HydrophobicContact CD2-CG2 3.69Å; F22-I221 HydrophobicContact CE2-CG2 4.35Å; L25-I221 HydrophobicContact CB-CD1 3.56Å; L25-I221 HydrophobicContact CB-CG1 3.71Å; L25-I221 HydrophobicContact CD1-CD1 4.23Å; L25-I221 HydrophobicContact CD1-CG1 3.39Å; L25-I221 HydrophobicContact CG-CG1 4.16Å; G217-I221 VanDerWaalsContact O-CG1 3.32Å; G217-I221 WeakPolarHBondContact O-CG1 3.43Å; G217-I221 PolarHBondContact O-N 3.15Å; G217-I221 VanDerWaalsContact O-N 3.07Å; Y218-I221 PolarHBondContact O-N 3.3Å; V219-I221 VanDerWaalsContact C-N 3.29Å; V219-I221 PolarHBondContact O-N 3.33Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 PolarHBondContact O-N 2.86Å; I221-I224 PolarHBondContact O-N 3.35Å; I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.18Å; I221-V225 PolarHBondContact O-N 2.99Å; I221-V225 VanDerWaalsContact O-N 3.15Å; I221-V233 HydrophobicContact CB-CG1 4.37Å; I221-V233 HydrophobicContact CG2-CG1 3.1Å; I221-Y237 HydrophobicContact CD1-CD2 3.52Å; I221-Y237 HydrophobicContact CD1-CE2 3.75Å; I221-Y237 HydrophobicContact CD1-CG 4.28Å
222T84.2Confident84.2Confident21 Ų2134.1 Ų34.113%0.12917%0.169CC..Hα-helixtrans-67.8-28.8-175.4580000112.9Y218 V219 R230Y218-T222 HydrophobicContact CD2-CG2 4.45Å; Y218-T222 HydrophobicContact CE1-CG2 4.25Å; Y218-T222 HydrophobicContact CE2-CG2 3.98Å; Y218-T222 WeakPolarHBondContact O-CG2 3.39Å; Y218-T222 PolarHBondContact O-N 2.76Å; Y218-T222 VanDerWaalsContact O-N 3.1Å; Y218-T222 PolarHBondContact O-OG1 3.14Å; V219-T222 PolarHBondContact O-N 3.04Å; V219-T222 VanDerWaalsContact O-N 3.16Å; V219-T222 PolarHBondContact O-OG1 3.32Å; T222-R230 PolarHBondContact O-NE 3.18Å
223E84.8Confident84.2Confident26 Ų2634.1 Ų34.112%0.12117%0.169CC..Hα-helixtrans-75.1-22.6175.8-70.2180176.700113.3R172 V219 I221 S282 R284R172-E223 IonicContact CZ-OE1 3.39Å; R172-E223 IonicContact NE-OE1 2.88Å; R172-E223 PolarHBondContact NE-OE1 3.33Å; R172-E223 IonicContact NE-OE2 3.87Å; R172-E223 IonicContact NH2-OE1 3.25Å; V219-E223 HydrophobicContact CG1-CG 4.09Å; V219-E223 WeakPolarHBondContact CG1-OE1 3.39Å; V219-E223 WeakPolarHBondContact O-CB 3.43Å; V219-E223 VanDerWaalsContact O-CG 3.32Å; V219-E223 WeakPolarHBondContact O-CG 3.35Å; V219-E223 PolarHBondContact O-N 3.15Å; I221-E223 VanDerWaalsContact C-N 3.28Å; I221-E223 PolarHBondContact O-N 2.86Å; E223-S282 WeakPolarHBondContact OE2-CB 3.39Å; E223-S282 PolarHBondContact OE2-OG 3.49Å; E223-R284 HydrophobicContact CB-CG 4.37Å; E223-R284 PolarHBondContact O-NE 3.26Å
224I84.8Confident84Confident2 Ų234.3 Ų34.31%0.0117%0.171CC..Hα-helixtrans-91.1-25.1179.8-71.5172.7000112.5L8 Q18 I21 L220 I221 P280 M302L8-I224 WeakPolarHBondContact CD2-O 3.41Å; Q18-I224 HydrophobicContact CB-CG2 4.46Å; Q18-I224 HydrophobicContact CG-CG2 3.78Å; I21-I224 HydrophobicContact CD1-CD1 4.44Å; I21-I224 HydrophobicContact CD1-CG2 4.4Å; I21-I224 HydrophobicContact CG2-CD1 4.11Å; L220-I224 HydrophobicContact CD1-CD1 3.69Å; L220-I224 HydrophobicContact CD1-CG1 4.33Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 WeakPolarHBondContact O-CD1 3.47Å; L220-I224 VanDerWaalsContact O-CG1 3.25Å; L220-I224 WeakPolarHBondContact O-CG1 3.46Å; L220-I224 PolarHBondContact O-N 3.31Å; I221-I224 PolarHBondContact O-N 3.35Å; I224-P280 HydrophobicContact CD1-CG 4.45Å; I224-M302 HydrophobicContact CG2-CE 3.8Å
225V85.7Confident83.7Confident1 Ų132.1 Ų32.11%0.00616%0.163CC..SBendtrans-96146.5-176.3177.10000111.1F14 Q18 I221 F229 R230 V233F14-V225 HydrophobicContact CD2-CG1 3.87Å; F14-V225 HydrophobicContact CD2-CG2 4.07Å; F14-V225 HydrophobicContact CE2-CG1 4.34Å; F14-V225 HydrophobicContact CE2-CG2 4.03Å; Q18-V225 HydrophobicContact CB-CG2 4.43Å; I221-V225 HydrophobicContact CG2-CG2 4.35Å; I221-V225 WeakPolarHBondContact O-CG2 3.18Å; I221-V225 PolarHBondContact O-N 2.99Å; I221-V225 VanDerWaalsContact O-N 3.15Å; V225-F229 HydrophobicContact CG1-CB 3.47Å; V225-F229 VanDerWaalsContact CG1-CB 3.47Å; V225-R230 PolarHBondContact O-NE 3.1Å; V225-R230 PolarHBondContact O-NH2 3.42Å; V225-V233 HydrophobicContact CG1-CG2 4.28Å; V225-V233 HydrophobicContact CG2-CG2 4.5Å
226G78.3Confident83.7Confident3 Ų332.2 Ų32.23%0.03116%0.16CC..  trans-62.6153.3175.400000112.9K13 E228 F229 R230K13-G226 PolarHBondContact O-N 3.07Å; K13-G226 VanDerWaalsContact O-N 3.14Å; G226-E228 VanDerWaalsContact C-N 3.28Å; G226-E228 PolarHBondContact O-N 3.42Å; G226-F229 PolarHBondContact O-N 3.27Å; G226-F229 VanDerWaalsContact O-N 3.09Å; G226-R230 PolarHBondContact O-N 3.21Å
227V76.6Confident83.8Confident76 Ų7632 Ų3246%0.46116%0.159SC..G310 helixtrans-51.1-44.3-172.6-171.70000112.8D5 F229 R230D5-V227 HydrophobicContact CB-CG2 4.18Å; D5-V227 VanDerWaalsContact CG-CG2 3.48Å; D5-V227 WeakPolarHBondContact OD1-CG2 3.12Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 2.99Å; V227-R230 PolarHBondContact O-N 2.67Å
228E77.4Confident83.6Confident118 Ų11833.7 Ų33.755%0.55117%0.166SC*.G310 helixtrans-59.1-34.2-177.6-67.1174.1-177.700113.6K13 G226K13-E228 WeakPolarHBondContact CD-OE2 3.37Å; K13-E228 VanDerWaalsContact NZ-CD 3.3Å; K13-E228 IonicContact NZ-OE1 2.72Å; K13-E228 PolarHBondContact NZ-OE1 3.24Å; K13-E228 IonicContact NZ-OE2 3.37Å; K13-E228 PolarHBondContact NZ-OE2 3.01Å; G226-E228 VanDerWaalsContact C-N 3.28Å; G226-E228 PolarHBondContact O-N 3.42Å
229F81.4Confident83.6Confident74 Ų7431.6 Ų31.633%0.32516%0.16SC..G310 helixtrans-95.8-10.7-174.1-68.8-80.4000113.6K13 F14 V225 G226 V227 R231 T232 V233K13-F229 HydrophobicContact CB-CD2 4.08Å; K13-F229 HydrophobicContact CB-CE2 3.81Å; F14-F229 HydrophobicContact CB-CD1 4.36Å; F14-F229 HydrophobicContact CB-CD2 3.79Å; F14-F229 HydrophobicContact CB-CE1 4.49Å; F14-F229 HydrophobicContact CB-CE2 3.94Å; F14-F229 HydrophobicContact CB-CG 4.02Å; F14-F229 HydrophobicContact CB-CZ 4.29Å; F14-F229 HydrophobicContact CG-CD1 4.47Å; F14-F229 HydrophobicContact CG-CG 4.33Å; V225-F229 HydrophobicContact CG1-CB 3.47Å; V225-F229 VanDerWaalsContact CG1-CB 3.47Å; G226-F229 PolarHBondContact O-N 3.27Å; G226-F229 VanDerWaalsContact O-N 3.09Å; V227-F229 VanDerWaalsContact C-N 3.28Å; V227-F229 PolarHBondContact O-N 2.99Å; F229-R231 PolarHBondContact O-N 3.05Å; F229-T232 PolarHBondContact O-N 3.32Å; F229-V233 WeakPolarHBondContact O-CB 3.31Å; F229-V233 WeakPolarHBondContact O-CG2 3.35Å; F229-V233 PolarHBondContact O-N 2.96Å
230R81.7Confident83.9Confident54 Ų5432.2 Ų32.220%0.20416%0.16CC..Hα-helixtrans-54.9-40.1-177.5-70.9-174.6-179.9133.426.3112.5D5 T222 V225 G226 V227 G234D5-R230 IonicContact OD1-CZ 2.82Å; D5-R230 IonicContact OD1-NH1 3.71Å; D5-R230 IonicContact OD1-NH2 3.28Å; D5-R230 PolarHBondContact OD1-NH2 2.77Å; T222-R230 PolarHBondContact O-NE 3.18Å; V225-R230 PolarHBondContact O-NE 3.1Å; V225-R230 PolarHBondContact O-NH2 3.42Å; G226-R230 PolarHBondContact O-N 3.21Å; V227-R230 PolarHBondContact O-N 2.67Å; R230-G234 PolarHBondContact O-N 2.88Å
231R77.4Confident84.1Confident61 Ų6132.5 Ų32.523%0.2316%0.161CC..Hα-helixtrans-61.7-55.4178.6-170.5-177.4-16094.819.4111.5F229 V233 G234 V235 F446 E450F229-R231 PolarHBondContact O-N 3.05Å; R231-V233 VanDerWaalsContact C-N 3.3Å; R231-V233 PolarHBondContact O-N 3.01Å; R231-G234 PolarHBondContact O-N 3.28Å; R231-V235 PolarHBondContact O-N 2.77Å; R231-V235 VanDerWaalsContact O-N 3.1Å; R231-F446 HydrophobicContact CG-CE1 3.87Å; R231-F446 HydrophobicContact CG-CZ 4.24Å; R231-E450 IonicContact NH1-OE1 3.76Å; R231-E450 PolarHBondContact NH1-OE1 3.42Å; R231-E450 VanDerWaalsContact NH1-OE1 3.1Å; R231-E450 IonicContact NH2-OE1 3.72Å
232T80.9Confident84.2Confident64 Ų6432.5 Ų32.539%0.39316%0.161SC..Hα-helixtrans-60.4-42.6-178.6-51.70000111.4F229 G234 V235 I236F229-T232 PolarHBondContact O-N 3.32Å; T232-G234 VanDerWaalsContact C-N 3.33Å; T232-G234 PolarHBondContact O-N 3.02Å; T232-V235 PolarHBondContact O-N 3.2Å; T232-I236 HydrophobicContact CG2-CD1 3.84Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.31Å; T232-I236 PolarHBondContact O-N 3.4Å
233V85.4Confident84.7Confident3 Ų333.6 Ų33.62%0.01817%0.167CC..Hα-helixtrans-62.5-40.4177.5160.20000111.6F14 F22 I221 V225 F229 R231 Y237F14-V233 HydrophobicContact CE2-CG2 3.9Å; F14-V233 HydrophobicContact CZ-CG2 4.21Å; F22-V233 HydrophobicContact CD2-CB 4.38Å; F22-V233 HydrophobicContact CD2-CG1 3.6Å; F22-V233 HydrophobicContact CD2-CG2 4.19Å; F22-V233 HydrophobicContact CE2-CB 3.95Å; F22-V233 HydrophobicContact CE2-CG1 3.39Å; F22-V233 HydrophobicContact CE2-CG2 4.02Å; F22-V233 HydrophobicContact CZ-CB 4.42Å; F22-V233 HydrophobicContact CZ-CG1 4.3Å; F22-V233 HydrophobicContact CZ-CG2 4.26Å; I221-V233 HydrophobicContact CB-CG1 4.37Å; I221-V233 HydrophobicContact CG2-CG1 3.1Å; V225-V233 HydrophobicContact CG1-CG2 4.28Å; V225-V233 HydrophobicContact CG2-CG2 4.5Å; F229-V233 WeakPolarHBondContact O-CB 3.31Å; F229-V233 WeakPolarHBondContact O-CG2 3.35Å; F229-V233 PolarHBondContact O-N 2.96Å; R231-V233 VanDerWaalsContact C-N 3.3Å; R231-V233 PolarHBondContact O-N 3.01Å; V233-Y237 VanDerWaalsContact O-CB 3.28Å; V233-Y237 WeakPolarHBondContact O-CB 3.48Å; V233-Y237 PolarHBondContact O-N 3.49Å
234G81.9Confident85.1Confident7 Ų732.6 Ų32.67%0.07216%0.164CC..Hα-helixtrans-65.2-44175.600000113.7R230 R231 T232 Y237 Q238R230-G234 PolarHBondContact O-N 2.88Å; R231-G234 PolarHBondContact O-N 3.28Å; T232-G234 VanDerWaalsContact C-N 3.33Å; T232-G234 PolarHBondContact O-N 3.02Å; G234-Y237 WeakPolarHBondContact O-CB 3.47Å; G234-Y237 PolarHBondContact O-N 3.21Å; G234-Q238 PolarHBondContact O-N 3Å; G234-Q238 VanDerWaalsContact O-N 3.14Å
235V82.8Confident85.4Confident1 Ų132.6 Ų32.61%0.00616%0.164CC..Hα-helixtrans-61.9-46.6175.9177.50000110.9R231 T232 Y237 Q238 M239 A385 L389 F446R231-V235 PolarHBondContact O-N 2.77Å; R231-V235 VanDerWaalsContact O-N 3.1Å; T232-V235 PolarHBondContact O-N 3.2Å; V235-Y237 VanDerWaalsContact C-N 3.34Å; V235-Y237 PolarHBondContact O-N 2.97Å; V235-Q238 WeakPolarHBondContact O-CB 3.49Å; V235-Q238 PolarHBondContact O-N 3.34Å; V235-Q238 VanDerWaalsContact O-N 3.16Å; V235-M239 WeakPolarHBondContact O-CG 3.28Å; V235-M239 PolarHBondContact O-N 3.19Å; V235-A385 HydrophobicContact CG1-CB 4.27Å; V235-L389 HydrophobicContact CB-CD2 4.38Å; V235-L389 HydrophobicContact CG1-CD1 4.23Å; V235-L389 HydrophobicContact CG1-CD2 4.3Å; V235-L389 HydrophobicContact CG1-CG 4.25Å; V235-L389 HydrophobicContact CG2-CD2 3.98Å; V235-F446 HydrophobicContact CG2-CE2 4.05Å; V235-F446 HydrophobicContact CG2-CZ 3.68Å
236I87.3Confident85.8Confident54 Ų5434.6 Ų34.628%0.27718%0.175SC..Hα-helixtrans-65-39.6178.9-65.5168.5000110.7F22 T232 Q238 M239 F240F22-I236 HydrophobicContact CE1-CB 4.47Å; F22-I236 HydrophobicContact CE1-CG2 3.92Å; F22-I236 HydrophobicContact CZ-CB 3.75Å; F22-I236 HydrophobicContact CZ-CD1 4.44Å; F22-I236 HydrophobicContact CZ-CG2 3.51Å; T232-I236 HydrophobicContact CG2-CD1 3.84Å; T232-I236 VanDerWaalsContact O-CG1 3.3Å; T232-I236 WeakPolarHBondContact O-CG1 3.31Å; T232-I236 PolarHBondContact O-N 3.4Å; I236-Q238 PolarHBondContact O-N 2.96Å; I236-M239 WeakPolarHBondContact O-CB 3.11Å; I236-M239 PolarHBondContact O-N 3.26Å; I236-M239 VanDerWaalsContact O-N 3.09Å; I236-F240 HydrophobicContact CG2-CD2 4.01Å; I236-F240 HydrophobicContact CG2-CE2 3.84Å; I236-F240 WeakPolarHBondContact O-CD2 3.45Å; I236-F240 PolarHBondContact O-N 2.84Å; I236-F240 VanDerWaalsContact O-N 3.12Å
237Y88.3Confident86.6Confident2 Ų237.8 Ų37.81%0.00819%0.19CC..Hα-helixtrans-56.7-35.8175.4-175.2-106.3000112.4L25 S29 W214 Y218 I221 V233 G234 V235L25-Y237 WeakPolarHBondContact O-CE2 3.39Å; S29-Y237 WeakPolarHBondContact CB-O 3.47Å; S29-Y237 PolarHBondContact OG-O 2.97Å; W214-Y237 AromaticContact CD1-CE1 3.89Å; W214-Y237 AromaticContact CD1-CZ 3.85Å; W214-Y237 HydrophobicContact CD2-CE1 4Å; W214-Y237 AromaticContact CE2-CE1 3.31Å; W214-Y237 HydrophobicContact CG-CE1 4.31Å; W214-Y237 HydrophobicContact CH2-CE1 4.42Å; W214-Y237 AromaticContact CZ2-CD1 3.88Å; W214-Y237 HydrophobicContact CZ2-CD1 3.88Å; W214-Y237 AromaticContact CZ2-CE1 3.56Å; W214-Y237 HydrophobicContact CZ2-CE1 3.56Å; W214-Y237 AromaticContact NE1-CE1 3.24Å; W214-Y237 AromaticContact NE1-CZ 3.58Å; W214-Y237 PolarHBondContact NE1-OH 2.89Å; W214-Y237 PolarHBondContact O-OH 3.49Å; Y218-Y237 AromaticContact CD2-CD1 3.8Å; Y218-Y237 HydrophobicContact CD2-CD1 3.8Å; Y218-Y237 HydrophobicContact CD2-CE1 4.27Å; Y218-Y237 HydrophobicContact CD2-CG 4.38Å; Y218-Y237 HydrophobicContact CG-CD1 4.45Å; Y218-Y237 HydrophobicContact CG-CE1 4.49Å; I221-Y237 HydrophobicContact CD1-CD2 3.52Å; I221-Y237 HydrophobicContact CD1-CE2 3.75Å; I221-Y237 HydrophobicContact CD1-CG 4.28Å; V233-Y237 VanDerWaalsContact O-CB 3.28Å; V233-Y237 WeakPolarHBondContact O-CB 3.48Å; V233-Y237 PolarHBondContact O-N 3.49Å; G234-Y237 WeakPolarHBondContact O-CB 3.47Å; G234-Y237 PolarHBondContact O-N 3.21Å; V235-Y237 VanDerWaalsContact C-N 3.34Å; V235-Y237 PolarHBondContact O-N 2.97Å
238Q85.4Confident87.4Confident34 Ų3434.3 Ų34.316%0.15917%0.169CC..Hα-helixtrans-76-37.3174.2-170.9161.78.800113G234 V235 I236 F240 F241 S242G234-Q238 PolarHBondContact O-N 3Å; G234-Q238 VanDerWaalsContact O-N 3.14Å; V235-Q238 WeakPolarHBondContact O-CB 3.49Å; V235-Q238 PolarHBondContact O-N 3.34Å; V235-Q238 VanDerWaalsContact O-N 3.16Å; I236-Q238 PolarHBondContact O-N 2.96Å; Q238-F240 PolarHBondContact O-N 2.99Å; Q238-F241 WeakPolarHBondContact O-CA 3.36Å; Q238-F241 VanDerWaalsContact O-CB 3.24Å; Q238-F241 WeakPolarHBondContact O-CB 3.11Å; Q238-F241 PolarHBondContact O-N 3.45Å; Q238-S242 PolarHBondContact O-N 3.33Å
239M88.2Confident88.1Confident25 Ų2528.9 Ų28.912%0.12314%0.144CC..Hα-helixtrans-58.1-32172.9-70-179.8128.800112.6V235 I236 F241 S242 V243 F382 A385 F386V235-M239 WeakPolarHBondContact O-CG 3.28Å; V235-M239 PolarHBondContact O-N 3.19Å; I236-M239 WeakPolarHBondContact O-CB 3.11Å; I236-M239 PolarHBondContact O-N 3.26Å; I236-M239 VanDerWaalsContact O-N 3.09Å; M239-F241 VanDerWaalsContact C-N 3.29Å; M239-F241 PolarHBondContact O-N 2.87Å; M239-S242 WeakPolarHBondContact O-CB 3.28Å; M239-S242 PolarHBondContact O-N 3.11Å; M239-V243 WeakPolarHBondContact O-CG2 3.45Å; M239-V243 PolarHBondContact O-N 3.42Å; M239-F382 HydrophobicContact CE-CD1 4.43Å; M239-A385 HydrophobicContact CE-CB 3.65Å; M239-A385 HydrophobicContact CG-CB 4.09Å; M239-F386 HydrophobicContact CE-CD1 4.39Å; M239-F386 HydrophobicContact CE-CD2 4.19Å; M239-F386 HydrophobicContact CE-CE1 4.04Å; M239-F386 HydrophobicContact CE-CE2 3.8Å; M239-F386 HydrophobicContact CE-CG 4.46Å; M239-F386 HydrophobicContact CE-CZ 3.72Å
240F92.6Very high88.7Confident48 Ų4830.2 Ų30.221%0.21115%0.154CC..Hα-helixtrans-66.8-28.9173.9-88.2-106.3000113C26 M27 M30 I236 Q238 V243 G244C26-F240 HydrophobicContact CB-CB 4.42Å; C26-F240 HydrophobicContact CB-CD1 3.74Å; C26-F240 HydrophobicContact CB-CD2 3.78Å; C26-F240 HydrophobicContact CB-CE1 3.84Å; C26-F240 HydrophobicContact CB-CE2 3.86Å; C26-F240 HydrophobicContact CB-CG 3.72Å; C26-F240 HydrophobicContact CB-CZ 3.89Å; C26-F240 WeakPolarHBondContact O-CB 3.39Å; C26-F240 WeakPolarHBondContact O-CD1 3.42Å; M27-F240 HydrophobicContact CE-CE1 4.12Å; M27-F240 HydrophobicContact SD-CD1 4.38Å; M27-F240 HydrophobicContact SD-CE1 3.96Å; M30-F240 HydrophobicContact CE-CD1 3.32Å; M30-F240 HydrophobicContact CE-CE1 3.58Å; M30-F240 HydrophobicContact CE-CG 4.4Å; M30-F240 HydrophobicContact CG-CB 4.45Å; M30-F240 HydrophobicContact CG-CD1 4.17Å; M30-F240 VanDerWaalsContact CG-O 3.32Å; M30-F240 WeakPolarHBondContact CG-O 3.33Å; M30-F240 HydrophobicContact SD-CD1 4.48Å; I236-F240 HydrophobicContact CG2-CD2 4.01Å; I236-F240 HydrophobicContact CG2-CE2 3.84Å; I236-F240 WeakPolarHBondContact O-CD2 3.45Å; I236-F240 PolarHBondContact O-N 2.84Å; I236-F240 VanDerWaalsContact O-N 3.12Å; Q238-F240 PolarHBondContact O-N 2.99Å; F240-V243 PolarHBondContact O-N 3.32Å; F240-G244 PolarHBondContact O-N 3.25Å; F240-G244 VanDerWaalsContact O-N 3.14Å
241F91.6Very high89.2Confident6 Ų630.2 Ų30.23%0.02616%0.158CC..Hα-helixtrans-65.6-43.4169.1169.5-96.6000110.8W32 A33 Y36 Q238 M239 V243 G244 I245W32-F241 HydrophobicContact CB-CD2 4.24Å; W32-F241 AromaticContact CD2-CD2 3.73Å; W32-F241 HydrophobicContact CD2-CD2 3.73Å; W32-F241 AromaticContact CD2-CE2 3.67Å; W32-F241 HydrophobicContact CD2-CE2 3.67Å; W32-F241 HydrophobicContact CE3-CB 4.31Å; W32-F241 AromaticContact CE3-CD2 3.14Å; W32-F241 HydrophobicContact CE3-CD2 3.14Å; W32-F241 AromaticContact CE3-CE2 3.46Å; W32-F241 HydrophobicContact CE3-CE2 3.46Å; W32-F241 VanDerWaalsContact CE3-CE2 3.46Å; W32-F241 AromaticContact CE3-CG 3.88Å; W32-F241 HydrophobicContact CE3-CG 3.88Å; W32-F241 HydrophobicContact CE3-CZ 4.43Å; W32-F241 HydrophobicContact CG-CD2 4.19Å; W32-F241 HydrophobicContact CG-CE2 4.13Å; W32-F241 HydrophobicContact CH2-CE2 4.44Å; W32-F241 AromaticContact CZ3-CD2 3.69Å; W32-F241 HydrophobicContact CZ3-CD2 3.69Å; W32-F241 AromaticContact CZ3-CE2 3.86Å; W32-F241 HydrophobicContact CZ3-CE2 3.86Å; W32-F241 HydrophobicContact CZ3-CG 4.07Å; W32-F241 HydrophobicContact CZ3-CZ 4.43Å; A33-F241 HydrophobicContact CB-CD2 3.82Å; A33-F241 HydrophobicContact CB-CE2 3.82Å; A33-F241 HydrophobicContact CB-CG 4.48Å; A33-F241 HydrophobicContact CB-CZ 4.42Å; A33-F241 WeakPolarHBondContact CB-O 3.38Å; Y36-F241 AromaticContact CD1-CZ 3.97Å; Y36-F241 HydrophobicContact CD1-CZ 3.97Å; Y36-F241 HydrophobicContact CG-CZ 4.48Å; Q238-F241 WeakPolarHBondContact O-CA 3.36Å; Q238-F241 VanDerWaalsContact O-CB 3.24Å; Q238-F241 WeakPolarHBondContact O-CB 3.11Å; Q238-F241 PolarHBondContact O-N 3.45Å; M239-F241 VanDerWaalsContact C-N 3.29Å; M239-F241 PolarHBondContact O-N 2.87Å; F241-V243 VanDerWaalsContact C-N 3.29Å; F241-V243 PolarHBondContact O-N 3.47Å; F241-G244 WeakPolarHBondContact O-CA 3.26Å; F241-G244 PolarHBondContact O-N 3.41Å; F241-I245 HydrophobicContact CD1-CD1 4.03Å; F241-I245 HydrophobicContact CE1-CD1 3.52Å; F241-I245 HydrophobicContact CE1-CG1 4.27Å; F241-I245 HydrophobicContact CZ-CD1 4.06Å; F241-I245 PolarHBondContact O-N 3.29Å
242S91.4Very high89.9Confident2 Ų227.5 Ų27.51%0.01415%0.148CC..Hα-helixtrans-61.6-34.4174-510000112.9Q238 M239 G244 I245 L246 E381Q238-S242 PolarHBondContact O-N 3.33Å; M239-S242 WeakPolarHBondContact O-CB 3.28Å; M239-S242 PolarHBondContact O-N 3.11Å; S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact O-N 3.34Å; S242-I245 WeakPolarHBondContact O-CB 3.46Å; S242-I245 PolarHBondContact O-N 2.94Å; S242-L246 PolarHBondContact O-N 3Å; S242-L246 VanDerWaalsContact O-N 3.12Å; S242-E381 VanDerWaalsContact CB-OE2 3.23Å; S242-E381 WeakPolarHBondContact CB-OE2 3.36Å; S242-E381 PolarHBondContact OG-OE2 2.89Å
243V93.9Very high90.4Very high44 Ų4431.5 Ų31.527%0.26716%0.157SC..Hα-helixtrans-61.8-40.7170.2174.30000111M30 M239 F240 F241 I245 L246 I247 F382M30-V243 HydrophobicContact CE-CB 4.26Å; M30-V243 HydrophobicContact CE-CG1 3.67Å; M30-V243 HydrophobicContact SD-CG1 4.29Å; M239-V243 WeakPolarHBondContact O-CG2 3.45Å; M239-V243 PolarHBondContact O-N 3.42Å; F240-V243 PolarHBondContact O-N 3.32Å; F241-V243 VanDerWaalsContact C-N 3.29Å; F241-V243 PolarHBondContact O-N 3.47Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 3.5Å; V243-L246 PolarHBondContact O-N 3.1Å; V243-L246 VanDerWaalsContact O-N 3.15Å; V243-I247 HydrophobicContact CG1-CD1 3.81Å; V243-I247 HydrophobicContact CG1-CG1 4.41Å; V243-I247 WeakPolarHBondContact O-CG1 2.96Å; V243-I247 PolarHBondContact O-N 2.94Å; V243-F382 HydrophobicContact CG2-CE1 3.91Å; V243-F382 HydrophobicContact CG2-CZ 3.77Å
244G93.8Very high90.8Very high6 Ų638.4 Ų38.46%0.06219%0.187CC..Hα-helixtrans-59.2-39.7172.700000112.9F240 F241 S242 L246 I247 L248F240-G244 PolarHBondContact O-N 3.25Å; F240-G244 VanDerWaalsContact O-N 3.14Å; F241-G244 WeakPolarHBondContact O-CA 3.26Å; F241-G244 PolarHBondContact O-N 3.41Å; S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact O-N 3.34Å; G244-L246 VanDerWaalsContact C-N 3.31Å; G244-L246 PolarHBondContact O-N 3.14Å; G244-I247 PolarHBondContact O-N 3.02Å; G244-L248 WeakPolarHBondContact O-CB 3.14Å; G244-L248 PolarHBondContact O-N 3.17Å
245I91.9Very high91.3Very high2 Ų240 Ų401%0.0119%0.194CC..Hα-helixtrans-61.2-37.7174.5-67.7-179.6000111.4A33 V37 F241 S242 V243 P249 F374 E381A33-I245 HydrophobicContact CB-CG1 3.71Å; V37-I245 HydrophobicContact CG2-CG1 4.15Å; F241-I245 HydrophobicContact CD1-CD1 4.03Å; F241-I245 HydrophobicContact CE1-CD1 3.52Å; F241-I245 HydrophobicContact CE1-CG1 4.27Å; F241-I245 HydrophobicContact CZ-CD1 4.06Å; F241-I245 PolarHBondContact O-N 3.29Å; S242-I245 WeakPolarHBondContact O-CB 3.46Å; S242-I245 PolarHBondContact O-N 2.94Å; V243-I245 VanDerWaalsContact C-N 3.3Å; V243-I245 PolarHBondContact O-N 3.5Å; I245-P249 WeakPolarHBondContact O-CD 3.38Å; I245-F374 HydrophobicContact CB-CE1 4.5Å; I245-F374 HydrophobicContact CG2-CD1 4.2Å; I245-F374 HydrophobicContact CG2-CE1 3.54Å; I245-F374 HydrophobicContact CG2-CZ 4.23Å; I245-F374 WeakPolarHBondContact O-CE1 3.23Å; I245-E381 VanDerWaalsContact CD1-OE1 3.26Å; I245-E381 WeakPolarHBondContact CD1-OE1 3.17Å
246L93.6Very high91.6Very high43 Ų4343 Ų4323%0.22521%0.212CC..Hα-helixtrans-72.2-35.1176.1-69.3-179000113.6S242 V243 G244 P249 L379 F382S242-L246 PolarHBondContact O-N 3Å; S242-L246 VanDerWaalsContact O-N 3.12Å; V243-L246 PolarHBondContact O-N 3.1Å; V243-L246 VanDerWaalsContact O-N 3.15Å; G244-L246 VanDerWaalsContact C-N 3.31Å; G244-L246 PolarHBondContact O-N 3.14Å; L246-P249 WeakPolarHBondContact O-CD 3.38Å; L246-P249 WeakPolarHBondContact O-CG 3.48Å; L246-L379 HydrophobicContact CD1-CD2 4.13Å; L246-L379 HydrophobicContact CD2-CD2 4.04Å; L246-L379 HydrophobicContact CD2-CG 3.97Å; L246-F382 HydrophobicContact CD1-CD2 4.45Å; L246-F382 HydrophobicContact CD1-CE2 3.4Å; L246-F382 VanDerWaalsContact CD1-CE2 3.4Å; L246-F382 HydrophobicContact CD1-CZ 3.76Å; L246-F382 HydrophobicContact CG-CE2 4.02Å
247I94.2Very high91.9Very high69 Ų6943.1 Ų43.135%0.35421%0.213SC..Hα-helixtrans-72.6-35.1-179.9-68167.9000110.9M30 V243 G244 L250 L251M30-I247 HydrophobicContact SD-CD1 4.31Å; V243-I247 HydrophobicContact CG1-CD1 3.81Å; V243-I247 HydrophobicContact CG1-CG1 4.41Å; V243-I247 WeakPolarHBondContact O-CG1 2.96Å; V243-I247 PolarHBondContact O-N 2.94Å; G244-I247 PolarHBondContact O-N 3.02Å; I247-L250 WeakPolarHBondContact O-CB 2.98Å; I247-L250 PolarHBondContact O-N 2.99Å; I247-L251 HydrophobicContact CG2-CD1 3.77Å; I247-L251 HydrophobicContact CG2-CG 3.93Å; I247-L251 PolarHBondContact O-N 3.02Å
248L94.1Very high92.2Very high4 Ų443.1 Ų43.12%0.02121%0.213CC..Hα-helixtrans-55.5-51.5-176.6-177.664.5000115.2V37 F41 G244 L250 L251 A252 I265 F374V37-L248 HydrophobicContact CG2-CD2 3.65Å; F41-L248 HydrophobicContact CD2-CD1 4.45Å; F41-L248 HydrophobicContact CD2-CD2 3.87Å; F41-L248 HydrophobicContact CD2-CG 3.79Å; F41-L248 HydrophobicContact CE2-CD2 3.89Å; F41-L248 HydrophobicContact CE2-CG 3.83Å; G244-L248 WeakPolarHBondContact O-CB 3.14Å; G244-L248 PolarHBondContact O-N 3.17Å; L248-L250 VanDerWaalsContact C-N 3.25Å; L248-L250 PolarHBondContact O-N 3.33Å; L248-L251 PolarHBondContact O-N 2.99Å; L248-A252 WeakPolarHBondContact O-CB 3.37Å; L248-A252 PolarHBondContact O-N 3.37Å; L248-I265 HydrophobicContact CD1-CD1 3.93Å; L248-I265 HydrophobicContact CD1-CG1 4.42Å; L248-F374 HydrophobicContact CD2-CE1 4.3Å; L248-F374 HydrophobicContact CD2-CZ 4.23Å
249P92.8Very high92.6Very high3 Ų344.6 Ų44.62%0.01922%0.217CC..Hα-helixtrans-62.5-33.1177.923.7-33.9000112.1F41 I245 L246 A252 Y253 Y371 F374F41-P249 HydrophobicContact CE1-CB 4.33Å; F41-P249 HydrophobicContact CE2-CB 4.43Å; F41-P249 HydrophobicContact CZ-CB 3.74Å; I245-P249 WeakPolarHBondContact O-CD 3.38Å; L246-P249 WeakPolarHBondContact O-CD 3.38Å; L246-P249 WeakPolarHBondContact O-CG 3.48Å; P249-A252 PolarHBondContact O-N 3.04Å; P249-Y253 WeakPolarHBondContact O-CB 3.18Å; P249-Y253 PolarHBondContact O-N 3.07Å; P249-Y371 HydrophobicContact CB-CD1 4.32Å; P249-Y371 WeakPolarHBondContact O-CD1 3.29Å; P249-F374 HydrophobicContact CB-CD1 4.38Å; P249-F374 HydrophobicContact CG-CD1 4.02Å
250L92.6Very high93Very high102 Ų10251.1 Ų51.153%0.53424%0.241SC..Hα-helixtrans-64.7-45.9175.5-175.568.5000111I247 L248 Y253 F254I247-L250 WeakPolarHBondContact O-CB 2.98Å; I247-L250 PolarHBondContact O-N 2.99Å; L248-L250 VanDerWaalsContact C-N 3.25Å; L248-L250 PolarHBondContact O-N 3.33Å; L250-Y253 PolarHBondContact O-N 2.86Å; L250-F254 HydrophobicContact CD1-CD2 4.36Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CD1-CZ 4.49Å; L250-F254 HydrophobicContact CG-CD2 4.39Å; L250-F254 HydrophobicContact CG-CE2 4.02Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.32Å
251L93.8Very high93.1Very high55 Ų5549 Ų4929%0.28823%0.232SC..Hα-helixtrans-63-44.3175.4-67.7176.6000111.6I247 L248 Y253 F254 I255 L261 V264I247-L251 HydrophobicContact CG2-CD1 3.77Å; I247-L251 HydrophobicContact CG2-CG 3.93Å; I247-L251 PolarHBondContact O-N 3.02Å; L248-L251 PolarHBondContact O-N 2.99Å; L251-Y253 PolarHBondContact O-N 3.15Å; L251-F254 PolarHBondContact O-N 3.18Å; L251-I255 WeakPolarHBondContact O-CB 3.37Å; L251-I255 PolarHBondContact O-N 3.36Å; L251-L261 HydrophobicContact CB-CD1 4.14Å; L251-V264 HydrophobicContact CD1-CG1 4.06Å; L251-V264 HydrophobicContact CD2-CG1 4.35Å
252A92Very high93.3Very high3 Ų348.7 Ų48.73%0.02523%0.23CC..Hα-helixtrans-69.2-18.7179.500000113.6F41 L248 P249 L261 Y371F41-A252 HydrophobicContact CB-CB 3.78Å; F41-A252 HydrophobicContact CD1-CB 3.49Å; F41-A252 VanDerWaalsContact CD1-CB 3.49Å; F41-A252 HydrophobicContact CD2-CB 4.11Å; F41-A252 HydrophobicContact CE1-CB 4.11Å; F41-A252 HydrophobicContact CG-CB 3.5Å; L248-A252 WeakPolarHBondContact O-CB 3.37Å; L248-A252 PolarHBondContact O-N 3.37Å; P249-A252 PolarHBondContact O-N 3.04Å; A252-L261 HydrophobicContact CB-CD1 4.34Å; A252-L261 HydrophobicContact CB-CD2 3.98Å; A252-Y371 VanDerWaalsContact C-CE1 3.43Å; A252-Y371 HydrophobicContact CB-CE1 3.88Å; A252-Y371 WeakPolarHBondContact O-CE1 3.49Å; A252-Y371 PolarHBondContact O-OH 3.37Å
253Y91.3Very high93.6Very high148 Ų14850.2 Ų50.258%0.5824%0.239SC*.Hα-helixtrans-75.4-39.7173-179.3-98000111.4P249 L250 L251 Y371P249-Y253 WeakPolarHBondContact O-CB 3.18Å; P249-Y253 PolarHBondContact O-N 3.07Å; L250-Y253 PolarHBondContact O-N 2.86Å; L251-Y253 PolarHBondContact O-N 3.15Å; Y253-Y371 HydrophobicContact CD2-CD2 4.22Å; Y253-Y371 HydrophobicContact CD2-CE2 4.27Å; Y253-Y371 HydrophobicContact CD2-CG 4.38Å
254F92.8Very high93.7Very high148 Ų14850.5 Ų50.565%0.64924%0.241SC*.Hα-helixtrans-84.2-28.7178.2-67.3-64.9000113.6L250 L251L250-F254 HydrophobicContact CD1-CD2 4.36Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CD1-CZ 4.49Å; L250-F254 HydrophobicContact CG-CD2 4.39Å; L250-F254 HydrophobicContact CG-CE2 4.02Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.32Å; L251-F254 PolarHBondContact O-N 3.18Å
255I93.6Very high93.7Very high41 Ų4150.6 Ų50.621%0.2124%0.24CC..  trans-113.695.8-177.7-53174.1000108.1L251 W260 L261 V264L251-I255 WeakPolarHBondContact O-CB 3.37Å; L251-I255 PolarHBondContact O-N 3.36Å; I255-W260 HydrophobicContact CG2-CB 3.65Å; I255-L261 HydrophobicContact CG2-CB 4.16Å; I255-V264 HydrophobicContact CD1-CB 4.19Å; I255-V264 HydrophobicContact CD1-CG1 4.35Å; I255-V264 HydrophobicContact CD1-CG2 3.64Å
256T89.3Confident93.9Very high63 Ų6350.5 Ų50.539%0.38724%0.24SC..  trans-84.4-15.6-176.156.60000113.6G127 R128 Q129G127-T256 VanDerWaalsContact O-CB 3.27Å; G127-T256 WeakPolarHBondContact O-CB 3.34Å; G127-T256 PolarHBondContact O-OG1 3.32Å; R128-T256 HydrophobicContact CG-CG2 4.1Å; Q129-T256 PolarHBondContact N-O 2.89Å; Q129-T256 VanDerWaalsContact N-O 3.11Å
257D93Very high93.9Very high57 Ų5751.5 Ų51.531%0.30525%0.247SC..BIsolated β-bridgetrans-84.3119.4173-86.9-38000111.9Q129 R259 W260 L261Q129-D257 VanDerWaalsContact CD-OD1 3.26Å; Q129-D257 PolarHBondContact OE1-OD1 3.39Å; D257-R259 VanDerWaalsContact C-N 3.27Å; D257-R259 PolarHBondContact O-N 3.21Å; D257-W260 HydrophobicContact CB-CB 4.28Å; D257-W260 HydrophobicContact CB-CG 4.5Å; D257-W260 PolarHBondContact O-N 2.99Å; D257-L261 PolarHBondContact O-N 3.11Å
258W93.8Very high93.9Very high3 Ų349.9 Ų49.91%0.01124%0.241CC..Hα-helixtrans-60.1-33.6-179.275.3-88.7000113.6Q42 Q129 F131 E134 F135 L199 L261 Q262Q42-W258 HydrophobicContact CB-CB 4.25Å; Q42-W258 HydrophobicContact CG-CB 4.41Å; Q129-W258 WeakPolarHBondContact O-CB 3.43Å; Q129-W258 PolarHBondContact O-N 2.87Å; F131-W258 HydrophobicContact CB-CD2 3.91Å; F131-W258 HydrophobicContact CB-CE3 4.24Å; F131-W258 HydrophobicContact CB-CG 4.46Å; F131-W258 HydrophobicContact CB-CH2 4.22Å; F131-W258 HydrophobicContact CB-CZ2 3.87Å; F131-W258 HydrophobicContact CB-CZ3 4.39Å; E134-W258 VanDerWaalsContact OE2-CE2 3.24Å; E134-W258 WeakPolarHBondContact OE2-CZ2 3.5Å; E134-W258 PolarHBondContact OE2-NE1 2.89Å; F135-W258 HydrophobicContact CE2-CZ2 4.24Å; L199-W258 HydrophobicContact CD1-CH2 4Å; L199-W258 HydrophobicContact CD1-CZ3 4.15Å; W258-L261 PolarHBondContact O-N 3.02Å; W258-Q262 WeakPolarHBondContact O-CB 3.38Å; W258-Q262 PolarHBondContact O-N 2.88Å
259R95.3Very high93.9Very high64 Ų6449.9 Ų49.924%0.24224%0.241CC..Hα-helixtrans-64.6-47.3178.1-68.2-176.8171.4-100.64.9111.2E134 A191 A193 D257 Q262 V263E134-R259 IonicContact OE1-CZ 3.86Å; E134-R259 VanDerWaalsContact OE1-CZ 3.28Å; E134-R259 IonicContact OE1-NE 3.63Å; E134-R259 PolarHBondContact OE1-NE 3.43Å; E134-R259 VanDerWaalsContact OE1-NE 3.16Å; E134-R259 IonicContact OE1-NH2 2.66Å; E134-R259 PolarHBondContact OE1-NH2 3.06Å; E134-R259 IonicContact OE2-CZ 2.88Å; E134-R259 IonicContact OE2-NE 3.33Å; E134-R259 PolarHBondContact OE2-NE 3.29Å; E134-R259 VanDerWaalsContact OE2-NE 3.15Å; E134-R259 IonicContact OE2-NH2 2.61Å; A191-R259 WeakPolarHBondContact O-CG 3.48Å; A191-R259 PolarHBondContact O-NH1 3.14Å; A193-R259 PolarHBondContact O-NH1 3.31Å; A193-R259 PolarHBondContact O-NH2 2.84Å; D257-R259 VanDerWaalsContact C-N 3.27Å; D257-R259 PolarHBondContact O-N 3.21Å; R259-Q262 WeakPolarHBondContact O-CB 3.35Å; R259-Q262 PolarHBondContact O-N 3.15Å; R259-V263 WeakPolarHBondContact O-CG2 3.27Å; R259-V263 PolarHBondContact O-N 2.91Å; R259-V263 VanDerWaalsContact O-N 3.11Å
260W95.9Very high93.8Very high163 Ų16353.7 Ų53.762%0.61726%0.26SS*.Hα-helixtrans-68-37.8176.7-76.6111.9000112.2I255 D257 Q262 V263 V264I255-W260 HydrophobicContact CG2-CB 3.65Å; D257-W260 HydrophobicContact CB-CB 4.28Å; D257-W260 HydrophobicContact CB-CG 4.5Å; D257-W260 PolarHBondContact O-N 2.99Å; W260-Q262 VanDerWaalsContact C-N 3.29Å; W260-Q262 PolarHBondContact O-N 3.34Å; W260-V263 HydrophobicContact CE3-CB 4.49Å; W260-V263 WeakPolarHBondContact O-CB 3.07Å; W260-V263 PolarHBondContact O-N 3.41Å; W260-V263 VanDerWaalsContact O-N 3.14Å; W260-V264 PolarHBondContact O-N 3.05Å
261L95.5Very high93.8Very high3 Ų354.1 Ų54.12%0.01626%0.263CS..Hα-helixtrans-59.2-42.8173.9-175.661.9000111F41 Q42 L251 A252 I255 D257 W258 V263 V264 I265F41-L261 HydrophobicContact CB-CD2 3.83Å; Q42-L261 HydrophobicContact CG-CD2 4.1Å; L251-L261 HydrophobicContact CB-CD1 4.14Å; A252-L261 HydrophobicContact CB-CD1 4.34Å; A252-L261 HydrophobicContact CB-CD2 3.98Å; I255-L261 HydrophobicContact CG2-CB 4.16Å; D257-L261 PolarHBondContact O-N 3.11Å; W258-L261 PolarHBondContact O-N 3.02Å; L261-V263 PolarHBondContact O-N 2.95Å; L261-V264 PolarHBondContact O-N 3.15Å; L261-I265 HydrophobicContact CD1-CD1 4.43Å; L261-I265 HydrophobicContact CG-CD1 4.09Å; L261-I265 WeakPolarHBondContact O-CD1 3.45Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.43Å; L261-I265 PolarHBondContact O-N 3.34Å
262Q95.8Very high93.8Very high0 Ų052.2 Ų52.20%025%0.252CS..Hα-helixtrans-61.6-40.4174.5179.56126.300112.6G187 V190 A191 W258 R259 W260 I265 T266G187-Q262 PolarHBondContact O-NE2 3.18Å; V190-Q262 HydrophobicContact CB-CG 4.14Å; V190-Q262 HydrophobicContact CG1-CG 3.82Å; A191-Q262 HydrophobicContact CB-CB 4.14Å; A191-Q262 HydrophobicContact CB-CG 3.94Å; W258-Q262 WeakPolarHBondContact O-CB 3.38Å; W258-Q262 PolarHBondContact O-N 2.88Å; R259-Q262 WeakPolarHBondContact O-CB 3.35Å; R259-Q262 PolarHBondContact O-N 3.15Å; W260-Q262 VanDerWaalsContact C-N 3.29Å; W260-Q262 PolarHBondContact O-N 3.34Å; Q262-I265 PolarHBondContact O-N 3.36Å; Q262-T266 PolarHBondContact NE2-OG1 2.91Å; Q262-T266 WeakPolarHBondContact O-CB 3.36Å; Q262-T266 PolarHBondContact O-N 3.46Å; Q262-T266 VanDerWaalsContact O-N 3.1Å; Q262-T266 PolarHBondContact O-OG1 2.93Å
263V96.4Very high93.8Very high33 Ų3354.8 Ų54.820%0.227%0.265CS..Hα-helixtrans-61.9-48.9175.5174.70000110.6I188 A191 R259 W260 L261 I265 T266 V267I188-V263 HydrophobicContact CD1-CG1 4.13Å; I188-V263 HydrophobicContact CD1-CG2 4.25Å; A191-V263 HydrophobicContact CB-CG2 3.63Å; R259-V263 WeakPolarHBondContact O-CG2 3.27Å; R259-V263 PolarHBondContact O-N 2.91Å; R259-V263 VanDerWaalsContact O-N 3.11Å; W260-V263 HydrophobicContact CE3-CB 4.49Å; W260-V263 WeakPolarHBondContact O-CB 3.07Å; W260-V263 PolarHBondContact O-N 3.41Å; W260-V263 VanDerWaalsContact O-N 3.14Å; L261-V263 PolarHBondContact O-N 2.95Å; V263-I265 VanDerWaalsContact C-N 3.31Å; V263-I265 PolarHBondContact O-N 3.33Å; V263-T266 WeakPolarHBondContact O-CA 3.15Å; V263-T266 WeakPolarHBondContact O-CB 3.5Å; V263-T266 PolarHBondContact O-N 3.01Å; V263-V267 HydrophobicContact CG1-CG2 4.1Å; V263-V267 WeakPolarHBondContact O-CG2 3.33Å; V263-V267 PolarHBondContact O-N 3.49Å
264V95.9Very high93.9Very high51 Ų5149.8 Ų49.831%0.30925%0.252SS..Hα-helixtrans-62-38.7-179.1171.70000111.9L251 I255 W260 L261 T266 P268L251-V264 HydrophobicContact CD1-CG1 4.06Å; L251-V264 HydrophobicContact CD2-CG1 4.35Å; I255-V264 HydrophobicContact CD1-CB 4.19Å; I255-V264 HydrophobicContact CD1-CG1 4.35Å; I255-V264 HydrophobicContact CD1-CG2 3.64Å; W260-V264 PolarHBondContact O-N 3.05Å; L261-V264 PolarHBondContact O-N 3.15Å; V264-T266 PolarHBondContact O-N 3.43Å; V264-P268 WeakPolarHBondContact O-CD 3.28Å
265I94.7Very high93.8Very high8 Ų843.7 Ų43.74%0.04123%0.225CC..Hα-helixtrans-63.8-32173.2-67.4164.3000111.5V35 L248 L261 Q262 V263V35-I265 HydrophobicContact CG2-CG2 4.05Å; L248-I265 HydrophobicContact CD1-CD1 3.93Å; L248-I265 HydrophobicContact CD1-CG1 4.42Å; L261-I265 HydrophobicContact CD1-CD1 4.43Å; L261-I265 HydrophobicContact CG-CD1 4.09Å; L261-I265 WeakPolarHBondContact O-CD1 3.45Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.43Å; L261-I265 PolarHBondContact O-N 3.34Å; Q262-I265 PolarHBondContact O-N 3.36Å; V263-I265 VanDerWaalsContact C-N 3.31Å; V263-I265 PolarHBondContact O-N 3.33Å
266T95.4Very high93.7Very high0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-82.8-35.8-176-57.60000113.5G187 I188 Y206 Q262 V263 V264 P268 Y269G187-T266 WeakPolarHBondContact CA-OG1 3.13Å; I188-T266 HydrophobicContact CG1-CG2 4.23Å; Y206-T266 PolarHBondContact OH-OG1 2.86Å; Q262-T266 PolarHBondContact NE2-OG1 2.91Å; Q262-T266 WeakPolarHBondContact O-CB 3.36Å; Q262-T266 PolarHBondContact O-N 3.46Å; Q262-T266 VanDerWaalsContact O-N 3.1Å; Q262-T266 PolarHBondContact O-OG1 2.93Å; V263-T266 WeakPolarHBondContact O-CA 3.15Å; V263-T266 WeakPolarHBondContact O-CB 3.5Å; V263-T266 PolarHBondContact O-N 3.01Å; V264-T266 PolarHBondContact O-N 3.43Å; T266-P268 VanDerWaalsContact C-CD 3.47Å; T266-Y269 WeakPolarHBondContact O-CB 3.45Å; T266-Y269 PolarHBondContact O-N 2.9Å
267V94.6Very high93.8Very high63 Ų6354.3 Ų54.338%0.38226%0.256SS..Hα-helixtrans-51.1-43.2-175.2165.20000114.1V263 Y269 I270 L271V263-V267 HydrophobicContact CG1-CG2 4.1Å; V263-V267 WeakPolarHBondContact O-CG2 3.33Å; V263-V267 PolarHBondContact O-N 3.49Å; V267-Y269 PolarHBondContact O-N 3.33Å; V267-I270 WeakPolarHBondContact O-CB 3.23Å; V267-I270 PolarHBondContact O-N 3.38Å; V267-L271 PolarHBondContact O-N 2.84Å
268P94.3Very high93.5Very high35 Ų3556.9 Ų56.923%0.22727%0.265CS..Hα-helixtrans-54.2-35177.2-30.337000114.5P31 V264 T266 I270 L271 F272P31-P268 HydrophobicContact CB-CB 4.22Å; P31-P268 HydrophobicContact CB-CG 4.47Å; P31-P268 HydrophobicContact CG-CB 3.49Å; P31-P268 VanDerWaalsContact CG-CB 3.49Å; P31-P268 HydrophobicContact CG-CG 3.96Å; V264-P268 WeakPolarHBondContact O-CD 3.28Å; T266-P268 VanDerWaalsContact C-CD 3.47Å; P268-I270 VanDerWaalsContact C-N 3.25Å; P268-I270 PolarHBondContact O-N 3.4Å; P268-L271 WeakPolarHBondContact O-CB 3.43Å; P268-L271 PolarHBondContact O-N 2.85Å; P268-L271 VanDerWaalsContact O-N 3.11Å; P268-F272 HydrophobicContact CB-CE2 4.02Å; P268-F272 HydrophobicContact CB-CZ 3.98Å; P268-F272 VanDerWaalsContact O-CD2 3.24Å; P268-F272 WeakPolarHBondContact O-CD2 3.45Å; P268-F272 WeakPolarHBondContact O-CG 3.45Å; P268-F272 PolarHBondContact O-N 3.49Å
269Y93.4Very high93.4Very high5 Ų557 Ų572%0.0227%0.266CS..Hα-helixtrans-63.8-30.8178.5-66.6-74.7000112.7P31 W32 V35 N180 N183 Y206 T266 V267 F272P31-Y269 HydrophobicContact CB-CD2 4.4Å; P31-Y269 HydrophobicContact CB-CE1 4.49Å; P31-Y269 HydrophobicContact CB-CE2 3.71Å; W32-Y269 WeakPolarHBondContact CA-OH 3.42Å; W32-Y269 PolarHBondContact N-OH 3.46Å; V35-Y269 HydrophobicContact CG2-CE2 4.07Å; N180-Y269 WeakPolarHBondContact OD1-CD1 3.47Å; N183-Y269 HydrophobicContact CB-CD1 4.05Å; N183-Y269 HydrophobicContact CB-CD2 4.3Å; N183-Y269 HydrophobicContact CB-CG 3.91Å; Y206-Y269 WeakPolarHBondContact OH-CE2 3.39Å; T266-Y269 WeakPolarHBondContact O-CB 3.45Å; T266-Y269 PolarHBondContact O-N 2.9Å; V267-Y269 PolarHBondContact O-N 3.33Å; Y269-F272 HydrophobicContact CD1-CD2 4.26Å
270I91.6Very high93.2Very high82 Ų8255.5 Ų55.542%0.42126%0.264SS..Hα-helixtrans-70.7-41.4174.7-56.5175.4000109.9V267 P268 F272 L273V267-I270 WeakPolarHBondContact O-CB 3.23Å; V267-I270 PolarHBondContact O-N 3.38Å; P268-I270 VanDerWaalsContact C-N 3.25Å; P268-I270 PolarHBondContact O-N 3.4Å; I270-F272 VanDerWaalsContact C-N 3.27Å; I270-F272 PolarHBondContact O-N 3.04Å; I270-L273 VanDerWaalsContact O-CB 3.28Å; I270-L273 WeakPolarHBondContact O-CB 3.25Å; I270-L273 WeakPolarHBondContact O-CG 3.42Å; I270-L273 PolarHBondContact O-N 3.2Å; I270-L273 VanDerWaalsContact O-N 3.14Å
271L91.7Very high93Very high112 Ų11249 Ų4959%0.58624%0.24SC*.Hα-helixtrans-63.3-35.3177.1-60.3178.2000111.7V267 P268 L273 S274V267-L271 PolarHBondContact O-N 2.84Å; P268-L271 WeakPolarHBondContact O-CB 3.43Å; P268-L271 PolarHBondContact O-N 2.85Å; P268-L271 VanDerWaalsContact O-N 3.11Å; L271-L273 PolarHBondContact O-N 3.14Å; L271-S274 WeakPolarHBondContact O-CB 3.47Å; L271-S274 PolarHBondContact O-N 3.34Å; L271-S274 VanDerWaalsContact O-N 3.09Å; L271-S274 PolarHBondContact O-OG 3.18Å
272F92.9Very high92.7Very high15 Ų1548.9 Ų48.97%0.06624%0.24CC..G310 helixtrans-66.6-13176.9-58-32.6000114M27 V28 P31 F176 P268 Y269 I270 S274 Y275M27-F272 HydrophobicContact CB-CE1 4.25Å; M27-F272 HydrophobicContact CB-CZ 4.49Å; M27-F272 WeakPolarHBondContact O-CZ 3.47Å; V28-F272 HydrophobicContact CB-CD2 4.21Å; V28-F272 HydrophobicContact CB-CE2 4.01Å; V28-F272 HydrophobicContact CB-CZ 4.38Å; V28-F272 HydrophobicContact CG1-CD2 3.84Å; V28-F272 HydrophobicContact CG1-CE2 3.88Å; V28-F272 HydrophobicContact CG2-CD1 4.14Å; V28-F272 HydrophobicContact CG2-CD2 3.9Å; V28-F272 HydrophobicContact CG2-CE1 4.24Å; V28-F272 HydrophobicContact CG2-CE2 4.01Å; V28-F272 HydrophobicContact CG2-CG 3.99Å; V28-F272 HydrophobicContact CG2-CZ 4.19Å; P31-F272 HydrophobicContact CG-CE2 3.88Å; P31-F272 HydrophobicContact CG-CZ 4.05Å; F176-F272 HydrophobicContact CZ-CB 4.48Å; P268-F272 HydrophobicContact CB-CE2 4.02Å; P268-F272 HydrophobicContact CB-CZ 3.98Å; P268-F272 VanDerWaalsContact O-CD2 3.24Å; P268-F272 WeakPolarHBondContact O-CD2 3.45Å; P268-F272 WeakPolarHBondContact O-CG 3.45Å; P268-F272 PolarHBondContact O-N 3.49Å; Y269-F272 HydrophobicContact CD1-CD2 4.26Å; I270-F272 VanDerWaalsContact C-N 3.27Å; I270-F272 PolarHBondContact O-N 3.04Å; F272-S274 PolarHBondContact O-N 3.28Å; F272-Y275 HydrophobicContact CB-CD2 4.49Å; F272-Y275 HydrophobicContact CD1-CE1 4.06Å; F272-Y275 AromaticContact CD1-CE2 3.95Å; F272-Y275 HydrophobicContact CD1-CE2 3.95Å; F272-Y275 AromaticContact CD1-CZ 3.68Å; F272-Y275 WeakPolarHBondContact O-CB 3.07Å; F272-Y275 PolarHBondContact O-N 2.99Å
273L92.5Very high92.2Very high56 Ų5649 Ų4929%0.29324%0.24SC..G310 helixtrans-62.5-28.9170.2-60.6178.8000112.1N180 V181 I270 L271 Y275 Y276N180-L273 HydrophobicContact CB-CD2 3.78Å; V181-L273 HydrophobicContact CB-CD2 4.48Å; V181-L273 HydrophobicContact CG2-CD1 4.14Å; V181-L273 HydrophobicContact CG2-CD2 3.47Å; V181-L273 VanDerWaalsContact CG2-CD2 3.47Å; V181-L273 HydrophobicContact CG2-CG 4.47Å; I270-L273 VanDerWaalsContact O-CB 3.28Å; I270-L273 WeakPolarHBondContact O-CB 3.25Å; I270-L273 WeakPolarHBondContact O-CG 3.42Å; I270-L273 PolarHBondContact O-N 3.2Å; I270-L273 VanDerWaalsContact O-N 3.14Å; L271-L273 PolarHBondContact O-N 3.14Å; L273-Y275 PolarHBondContact O-N 3.1Å; L273-Y275 VanDerWaalsContact O-N 3.11Å; L273-Y276 WeakPolarHBondContact O-CB 3.23Å; L273-Y276 PolarHBondContact O-N 2.97Å
274S93Very high91.5Very high43 Ų4350.2 Ų50.230%0.30124%0.241SC..G310 helixtrans-61.6-18.1173.870.30000113.1L271 F272 Y276 W277 F278L271-S274 WeakPolarHBondContact O-CB 3.47Å; L271-S274 PolarHBondContact O-N 3.34Å; L271-S274 VanDerWaalsContact O-N 3.09Å; L271-S274 PolarHBondContact O-OG 3.18Å; F272-S274 PolarHBondContact O-N 3.28Å; S274-Y276 PolarHBondContact O-N 3.45Å; S274-Y276 VanDerWaalsContact O-N 3.09Å; S274-W277 VanDerWaalsContact O-CE3 3.26Å; S274-W277 PolarHBondContact O-N 3.41Å; S274-W277 VanDerWaalsContact O-N 3.12Å; S274-F278 VanDerWaalsContact O-CD2 3.28Å; S274-F278 WeakPolarHBondContact O-CD2 3.47Å
275Y92.2Very high91Very high21 Ų2148.3 Ų48.38%0.08223%0.229CC..Hα-helixtrans-66.4-12.5178.6-7110.6000112.9L24 V28 F176 F272 L273 W277 F278 I279L24-Y275 HydrophobicContact CB-CE2 3.93Å; L24-Y275 HydrophobicContact CD2-CE1 3.98Å; L24-Y275 WeakPolarHBondContact O-CE2 3.15Å; L24-Y275 PolarHBondContact O-OH 3.05Å; V28-Y275 HydrophobicContact CG2-CD2 4.35Å; V28-Y275 HydrophobicContact CG2-CE2 3.74Å; F176-Y275 HydrophobicContact CE1-CD2 4.21Å; F176-Y275 HydrophobicContact CZ-CD2 4.28Å; F272-Y275 HydrophobicContact CB-CD2 4.49Å; F272-Y275 HydrophobicContact CD1-CE1 4.06Å; F272-Y275 AromaticContact CD1-CE2 3.95Å; F272-Y275 HydrophobicContact CD1-CE2 3.95Å; F272-Y275 AromaticContact CD1-CZ 3.68Å; F272-Y275 WeakPolarHBondContact O-CB 3.07Å; F272-Y275 PolarHBondContact O-N 2.99Å; L273-Y275 PolarHBondContact O-N 3.1Å; L273-Y275 VanDerWaalsContact O-N 3.11Å; Y275-W277 PolarHBondContact O-N 2.88Å; Y275-W277 VanDerWaalsContact O-N 3.16Å; Y275-F278 PolarHBondContact O-N 3.24Å; Y275-F278 VanDerWaalsContact O-N 3.16Å; Y275-I279 HydrophobicContact CD2-CD1 3.47Å; Y275-I279 VanDerWaalsContact CD2-CD1 3.47Å; Y275-I279 HydrophobicContact CD2-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.25Å; Y275-I279 HydrophobicContact CG-CD1 3.91Å; Y275-I279 HydrophobicContact CG-CG1 4.47Å; Y275-I279 PolarHBondContact O-N 3.24Å
276Y90.9Very high90.5Very high130 Ų13048.2 Ų48.251%0.5123%0.228SC..Hα-helixtrans-50.6-35.9168178.4-96.6000112.4K173 L177 L273 S274K173-Y276 WeakPolarHBondContact CE-O 3.32Å; K173-Y276 PolarHBondContact NZ-O 3.14Å; L177-Y276 HydrophobicContact CD1-CD2 3.55Å; L177-Y276 HydrophobicContact CD1-CG 4.2Å; L273-Y276 WeakPolarHBondContact O-CB 3.23Å; L273-Y276 PolarHBondContact O-N 2.97Å; S274-Y276 PolarHBondContact O-N 3.45Å; S274-Y276 VanDerWaalsContact O-N 3.09Å
277W90.3Very high89.8Confident197 Ų19748.9 Ų48.975%0.74623%0.231SC*.Hα-helixtrans-86.7-26.3-179.8-61.3-67.1000113.9S274 Y275S274-W277 VanDerWaalsContact O-CE3 3.26Å; S274-W277 PolarHBondContact O-N 3.41Å; S274-W277 VanDerWaalsContact O-N 3.12Å; Y275-W277 PolarHBondContact O-N 2.88Å; Y275-W277 VanDerWaalsContact O-N 3.16Å
278F87.8Confident89Confident111 Ų11148 Ų4849%0.48723%0.228SC..Hα-helixtrans-96.4-21.8-171.2-61.9-72.6000114.3L24 S274 Y275L24-F278 HydrophobicContact CD1-CB 3.79Å; S274-F278 VanDerWaalsContact O-CD2 3.28Å; S274-F278 WeakPolarHBondContact O-CD2 3.47Å; Y275-F278 PolarHBondContact O-N 3.24Å; Y275-F278 VanDerWaalsContact O-N 3.16Å
279I90.7Very high88.3Confident6 Ų650.2 Ų50.23%0.03124%0.235CC..  trans-113127.2-171.7-57.4-172.5000110.4I21 L24 L25 K173 L220 Y275I21-I279 HydrophobicContact CG2-CG2 4.28Å; L24-I279 HydrophobicContact CB-CD1 4.5Å; L25-I279 HydrophobicContact CD1-CD1 4.18Å; L25-I279 HydrophobicContact CD2-CD1 3.46Å; L25-I279 VanDerWaalsContact CD2-CD1 3.46Å; L25-I279 HydrophobicContact CG-CD1 3.63Å; K173-I279 WeakPolarHBondContact CD-O 3.24Å; K173-I279 VanDerWaalsContact CE-O 3.23Å; K173-I279 WeakPolarHBondContact CE-O 3.32Å; K173-I279 PolarHBondContact NZ-O 2.78Å; L220-I279 HydrophobicContact CD2-CG2 3.63Å; Y275-I279 HydrophobicContact CD2-CD1 3.47Å; Y275-I279 VanDerWaalsContact CD2-CD1 3.47Å; Y275-I279 HydrophobicContact CD2-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.25Å; Y275-I279 HydrophobicContact CG-CD1 3.91Å; Y275-I279 HydrophobicContact CG-CG1 4.47Å; Y275-I279 PolarHBondContact O-N 3.24Å
280P91.3Very high87.8Confident31 Ų3156 Ų5620%0.20127%0.267CS..PPolyproline II helixtrans-76.3161.9172.832.5-34.2000111.7I21 I224 I298I21-P280 HydrophobicContact CD1-CG 3.72Å; I224-P280 HydrophobicContact CD1-CG 4.45Å; P280-I298 HydrophobicContact CB-CD1 4.31Å; P280-I298 HydrophobicContact CB-CG2 3.77Å; P280-I298 HydrophobicContact CG-CG2 4.33Å
281E92.1Very high87.4Confident28 Ų2857.8 Ų57.813%0.13127%0.268CS..PPolyproline II helixtrans-72.8155.1167.9-173.559.6-87.700110.3R172 K173 P283 W285 L286 I298R172-E281 PolarHBondContact N-OE1 2.94Å; K173-E281 WeakPolarHBondContact CB-OE2 3.29Å; K173-E281 PolarHBondContact N-OE1 3.31Å; K173-E281 PolarHBondContact N-OE2 3.45Å; E281-P283 WeakPolarHBondContact O-CD 3.48Å; E281-W285 HydrophobicContact CG-CE3 3.83Å; E281-W285 HydrophobicContact CG-CZ3 4.03Å; E281-L286 HydrophobicContact CB-CD1 4.29Å; E281-L286 HydrophobicContact CG-CD1 4.38Å; E281-L286 HydrophobicContact CG-CD2 4.41Å; E281-L286 HydrophobicContact CG-CG 4.19Å; E281-I298 HydrophobicContact CB-CD1 4.49Å
282S88.6Confident87Confident0 Ų056.6 Ų56.60%026%0.258CS..PPolyproline II helixtrans-59.2121.6177.8169.40000111.9E223 R284 W285 L286E223-S282 WeakPolarHBondContact OE2-CB 3.39Å; E223-S282 PolarHBondContact OE2-OG 3.49Å; S282-R284 VanDerWaalsContact C-N 3.27Å; S282-R284 PolarHBondContact O-N 3.49Å; S282-R284 PolarHBondContact OG-N 3.47Å; S282-W285 PolarHBondContact O-N 3.48Å; S282-W285 PolarHBondContact OG-N 3.41Å; S282-L286 WeakPolarHBondContact O-CG 3.25Å; S282-L286 PolarHBondContact O-N 3.49Å
283P85.9Confident86.7Confident1 Ų160.6 Ų60.61%0.00629%0.288CS..Hα-helixtrans-67-29.6176-1527.4000112.3F4 E281 L286 L287 A295 I298 M302F4-P283 HydrophobicContact CE2-CB 3.79Å; F4-P283 HydrophobicContact CZ-CB 3.58Å; F4-P283 HydrophobicContact CZ-CG 4.14Å; E281-P283 WeakPolarHBondContact O-CD 3.48Å; P283-L286 PolarHBondContact O-N 3.47Å; P283-L287 WeakPolarHBondContact O-CG 3.32Å; P283-L287 PolarHBondContact O-N 3.07Å; P283-A295 HydrophobicContact CB-CB 4.46Å; P283-I298 HydrophobicContact CG-CG2 3.91Å; P283-M302 HydrophobicContact CG-SD 4.48Å
284R81.9Confident86.4Confident59 Ų5963.5 Ų63.522%0.22330%0.298CS..Hα-helixtrans-62.2-51.7174.7-70.3-176.7-176.8-126.9-31.4111.5F4 D5 E223 S282 L286 L287 S288F4-R284 HydrophobicContact CD1-CG 3.25Å; F4-R284 HydrophobicContact CE1-CB 4.41Å; F4-R284 HydrophobicContact CE1-CG 3.18Å; F4-R284 HydrophobicContact CG-CG 4.16Å; F4-R284 HydrophobicContact CZ-CG 4.09Å; D5-R284 IonicContact OD1-CZ 3.24Å; D5-R284 IonicContact OD1-NH2 3.8Å; D5-R284 PolarHBondContact OD1-NH2 3.07Å; D5-R284 IonicContact OD2-CZ 2.83Å; D5-R284 IonicContact OD2-NH1 2.6Å; D5-R284 IonicContact OD2-NH2 3.76Å; D5-R284 PolarHBondContact OD2-NH2 3.16Å; E223-R284 HydrophobicContact CB-CG 4.37Å; E223-R284 PolarHBondContact O-NE 3.26Å; S282-R284 VanDerWaalsContact C-N 3.27Å; S282-R284 PolarHBondContact O-N 3.49Å; S282-R284 PolarHBondContact OG-N 3.47Å; R284-L286 VanDerWaalsContact C-N 3.27Å; R284-L286 PolarHBondContact O-N 3.49Å; R284-L287 WeakPolarHBondContact O-CB 3.21Å; R284-L287 PolarHBondContact O-N 2.89Å; R284-L287 VanDerWaalsContact O-N 3.11Å; R284-S288 PolarHBondContact O-N 3.45Å
285W84.8Confident86Confident12 Ų1261.5 Ų61.55%0.04528%0.284CS..Hα-helixtrans-62.2-37.2178.1178.186.5000111.7D168 F170 G171 E281 S282 L287 S288 Q289D168-W285 PolarHBondContact O-NE1 2.94Å; F170-W285 VanDerWaalsContact C-CZ2 3.44Å; G171-W285 VanDerWaalsContact CA-CE2 3.41Å; G171-W285 VanDerWaalsContact CA-CZ2 3.41Å; E281-W285 HydrophobicContact CG-CE3 3.83Å; E281-W285 HydrophobicContact CG-CZ3 4.03Å; S282-W285 PolarHBondContact O-N 3.48Å; S282-W285 PolarHBondContact OG-N 3.41Å; W285-L287 VanDerWaalsContact C-N 3.3Å; W285-L287 PolarHBondContact O-N 3.19Å; W285-S288 PolarHBondContact O-N 3.32Å; W285-S288 PolarHBondContact O-OG 3.47Å; W285-Q289 HydrophobicContact CD2-CG 3.95Å; W285-Q289 HydrophobicContact CE3-CG 4.38Å; W285-Q289 HydrophobicContact CH2-CG 4.06Å; W285-Q289 HydrophobicContact CZ2-CG 3.57Å; W285-Q289 HydrophobicContact CZ3-CG 4.44Å; W285-Q289 WeakPolarHBondContact O-CB 3.33Å; W285-Q289 VanDerWaalsContact O-CG 3.27Å; W285-Q289 WeakPolarHBondContact O-CG 3.36Å; W285-Q289 PolarHBondContact O-N 3.28Å
286L84.3Confident85.7Confident6 Ų661.6 Ų61.63%0.03129%0.287CS..Hα-helixtrans-64.2-34.9175.1-74.1169.8000112.7E281 S282 P283 R284 R291 K294 A295 I298E281-L286 HydrophobicContact CB-CD1 4.29Å; E281-L286 HydrophobicContact CG-CD1 4.38Å; E281-L286 HydrophobicContact CG-CD2 4.41Å; E281-L286 HydrophobicContact CG-CG 4.19Å; S282-L286 WeakPolarHBondContact O-CG 3.25Å; S282-L286 PolarHBondContact O-N 3.49Å; P283-L286 PolarHBondContact O-N 3.47Å; R284-L286 VanDerWaalsContact C-N 3.27Å; R284-L286 PolarHBondContact O-N 3.49Å; L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.01Å; L286-R291 CarbonylContact O-C 3.41Å; L286-R291 WeakPolarHBondContact O-CA 3.37Å; L286-R291 WeakPolarHBondContact O-CB 3.48Å; L286-R291 PolarHBondContact O-N 3.01Å; L286-K294 HydrophobicContact CD1-CB 4.05Å; L286-K294 HydrophobicContact CD2-CB 4.27Å; L286-A295 HydrophobicContact CB-CB 3.84Å; L286-I298 HydrophobicContact CD1-CD1 3.52Å
287L81.7Confident85.6Confident13 Ų1362 Ų627%0.06829%0.292CS..Hα-helixtrans-68.1-45.8174.4-70.2170.2000111.4F4 P283 R284 W285 Q289 N290 K292 A295 L317F4-L287 HydrophobicContact CB-CD1 4.25Å; F4-L287 HydrophobicContact CD2-CD1 3.34Å; F4-L287 HydrophobicContact CE2-CD1 3.97Å; F4-L287 HydrophobicContact CG-CD1 3.98Å; P283-L287 WeakPolarHBondContact O-CG 3.32Å; P283-L287 PolarHBondContact O-N 3.07Å; R284-L287 WeakPolarHBondContact O-CB 3.21Å; R284-L287 PolarHBondContact O-N 2.89Å; R284-L287 VanDerWaalsContact O-N 3.11Å; W285-L287 VanDerWaalsContact C-N 3.3Å; W285-L287 PolarHBondContact O-N 3.19Å; L287-Q289 PolarHBondContact O-N 3.11Å; L287-N290 PolarHBondContact O-N 3.32Å; L287-K292 HydrophobicContact CD2-CB 4.46Å; L287-K292 HydrophobicContact CD2-CG 4.13Å; L287-A295 HydrophobicContact CD2-CB 3.78Å; L287-A295 HydrophobicContact CG-CB 3.78Å; L287-L317 HydrophobicContact CD1-CD1 4.23Å; L287-L317 HydrophobicContact CD1-CD2 4.11Å; L287-L317 HydrophobicContact CD2-CB 4.41Å; L287-L317 HydrophobicContact CD2-CD1 4.05Å
288S77.6Confident85.5Confident46 Ų4654.1 Ų54.132%0.32226%0.264SS..Hα-helixtrans-64.6-24.1178.5740000113.2R284 W285 N290 D319R284-S288 PolarHBondContact O-N 3.45Å; W285-S288 PolarHBondContact O-N 3.32Å; W285-S288 PolarHBondContact O-OG 3.47Å; S288-N290 VanDerWaalsContact C-N 3.29Å; S288-D319 WeakPolarHBondContact CA-OD2 3.35Å
289Q79.4Confident85.4Confident80 Ų8049 Ų4937%0.37424%0.241SC..THydrogen-bonded Turntrans-89.314.3174.1-66.2-66.7-29.900113.4D168 W285 L287 R291D168-Q289 PolarHBondContact O-NE2 3.02Å; W285-Q289 HydrophobicContact CD2-CG 3.95Å; W285-Q289 HydrophobicContact CE3-CG 4.38Å; W285-Q289 HydrophobicContact CH2-CG 4.06Å; W285-Q289 HydrophobicContact CZ2-CG 3.57Å; W285-Q289 HydrophobicContact CZ3-CG 4.44Å; W285-Q289 WeakPolarHBondContact O-CB 3.33Å; W285-Q289 VanDerWaalsContact O-CG 3.27Å; W285-Q289 WeakPolarHBondContact O-CG 3.36Å; W285-Q289 PolarHBondContact O-N 3.28Å; L287-Q289 PolarHBondContact O-N 3.11Å; Q289-R291 HydrophobicContact CB-CG 4.42Å; Q289-R291 PolarHBondContact O-N 3.39Å; Q289-R291 VanDerWaalsContact O-N 3.1Å
290N81.4Confident85.2Confident126 Ų12653.5 Ų53.567%0.67426%0.261SS*.THydrogen-bonded Turntrans57.619.5-176-78.1-51.7000115L287 S288 K292L287-N290 PolarHBondContact O-N 3.32Å; S288-N290 VanDerWaalsContact C-N 3.29Å; N290-K292 VanDerWaalsContact C-N 3.32Å; N290-K292 PolarHBondContact O-N 2.84Å
291R84.4Confident85.1Confident120 Ų12056.3 Ų56.345%0.45327%0.274SS..  trans-93.953.6178.8-65.4177.8178.5-175.80.5111.6L286 Q289 S293 K294 A295L286-R291 HydrophobicContact CB-CB 4.47Å; L286-R291 HydrophobicContact CD2-CB 4.01Å; L286-R291 CarbonylContact O-C 3.41Å; L286-R291 WeakPolarHBondContact O-CA 3.37Å; L286-R291 WeakPolarHBondContact O-CB 3.48Å; L286-R291 PolarHBondContact O-N 3.01Å; Q289-R291 HydrophobicContact CB-CG 4.42Å; Q289-R291 PolarHBondContact O-N 3.39Å; Q289-R291 VanDerWaalsContact O-N 3.1Å; R291-S293 PolarHBondContact O-N 3.44Å; R291-K294 PolarHBondContact O-N 3.47Å; R291-A295 PolarHBondContact O-N 3.43Å
292K83.3Confident84.8Confident88 Ų8855.2 Ų55.238%0.38327%0.269SS..Hα-helixtrans-55.3-44.2-173.4-60.2-170.8-178.3-170.30113.4L287 N290 K294 A295 V296 L317L287-K292 HydrophobicContact CD2-CB 4.46Å; L287-K292 HydrophobicContact CD2-CG 4.13Å; N290-K292 VanDerWaalsContact C-N 3.32Å; N290-K292 PolarHBondContact O-N 2.84Å; K292-K294 VanDerWaalsContact C-N 3.3Å; K292-K294 PolarHBondContact O-N 3.42Å; K292-A295 WeakPolarHBondContact O-CB 3.45Å; K292-A295 PolarHBondContact O-N 3.29Å; K292-A295 VanDerWaalsContact O-N 3.13Å; K292-V296 VanDerWaalsContact O-CG2 3.31Å; K292-V296 WeakPolarHBondContact O-CG2 3.41Å; K292-V296 PolarHBondContact O-N 3.42Å; K292-L317 PolarHBondContact NZ-O 2.88Å
293S85.4Confident84.7Confident98 Ų9855.4 Ų55.469%0.68527%0.27SS*.Hα-helixtrans-57.6-39.4-178.358.70000113.6R291 K297R291-S293 PolarHBondContact O-N 3.44Å; S293-K297 WeakPolarHBondContact O-CB 3.44Å; S293-K297 PolarHBondContact O-N 3.31Å; S293-K297 VanDerWaalsContact O-N 3.13Å
294K86.4Confident84.8Confident117 Ų11763.3 Ų63.351%0.50931%0.305SS..Hα-helixtrans-71.9-42.1176.7-68.6-174.9179.4-1790111.6L286 R291 K292 K297 I298L286-K294 HydrophobicContact CD1-CB 4.05Å; L286-K294 HydrophobicContact CD2-CB 4.27Å; R291-K294 PolarHBondContact O-N 3.47Å; K292-K294 VanDerWaalsContact C-N 3.3Å; K292-K294 PolarHBondContact O-N 3.42Å; K294-K297 PolarHBondContact O-N 2.95Å; K294-I298 WeakPolarHBondContact O-CG1 3.31Å; K294-I298 PolarHBondContact O-N 3.03Å
295A84.9Confident85.1Confident1 Ų164 Ų641%0.00831%0.31CS..Hα-helixtrans-58.8-49.8176.300000111P283 L286 L287 R291 K292 K297 I298 T299P283-A295 HydrophobicContact CB-CB 4.46Å; L286-A295 HydrophobicContact CB-CB 3.84Å; L287-A295 HydrophobicContact CD2-CB 3.78Å; L287-A295 HydrophobicContact CG-CB 3.78Å; R291-A295 PolarHBondContact O-N 3.43Å; K292-A295 WeakPolarHBondContact O-CB 3.45Å; K292-A295 PolarHBondContact O-N 3.29Å; K292-A295 VanDerWaalsContact O-N 3.13Å; A295-K297 VanDerWaalsContact C-N 3.31Å; A295-K297 PolarHBondContact O-N 3.38Å; A295-I298 PolarHBondContact O-N 2.83Å; A295-T299 PolarHBondContact O-N 3.39Å; A295-T299 PolarHBondContact O-OG1 3.01Å
296V85.4Confident85.2Confident24 Ų2464.5 Ų64.515%0.14531%0.314CS..Hα-helixtrans-58.7-42.1177.5171.90000111.9K292 K300 I314 L317K292-V296 VanDerWaalsContact O-CG2 3.31Å; K292-V296 WeakPolarHBondContact O-CG2 3.41Å; K292-V296 PolarHBondContact O-N 3.42Å; V296-K300 HydrophobicContact CG1-CD 3.96Å; V296-K300 HydrophobicContact CG1-CG 4.37Å; V296-K300 WeakPolarHBondContact O-CB 3.17Å; V296-K300 VanDerWaalsContact O-CG 3.3Å; V296-K300 WeakPolarHBondContact O-CG 3.45Å; V296-K300 PolarHBondContact O-N 3.33Å; V296-I314 HydrophobicContact CB-CG2 3.92Å; V296-I314 HydrophobicContact CG1-CG2 3.59Å; V296-I314 HydrophobicContact CG2-CG2 3.31Å; V296-L317 HydrophobicContact CG2-CD1 4.47Å
297K89.1Confident85.3Confident139 Ų13974.2 Ų74.260%0.60435%0.35SS*.Hα-helixtrans-60.4-50.6177.5-174.9179.8178.4-178.50111.4S293 K294 A295 T299 K300 D301S293-K297 WeakPolarHBondContact O-CB 3.44Å; S293-K297 PolarHBondContact O-N 3.31Å; S293-K297 VanDerWaalsContact O-N 3.13Å; K294-K297 PolarHBondContact O-N 2.95Å; A295-K297 VanDerWaalsContact C-N 3.31Å; A295-K297 PolarHBondContact O-N 3.38Å; K297-T299 PolarHBondContact O-N 3.05Å; K297-K300 PolarHBondContact O-N 3.05Å; K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.87Å
298I88.6Confident85.4Confident31 Ų3179.5 Ų79.516%0.15937%0.373CS..Hα-helixtrans-61.3-45.7-179.8-66.7173000110.7P280 E281 P283 L286 K294 A295 K300 D301 M302P280-I298 HydrophobicContact CB-CD1 4.31Å; P280-I298 HydrophobicContact CB-CG2 3.77Å; P280-I298 HydrophobicContact CG-CG2 4.33Å; E281-I298 HydrophobicContact CB-CD1 4.49Å; P283-I298 HydrophobicContact CG-CG2 3.91Å; L286-I298 HydrophobicContact CD1-CD1 3.52Å; K294-I298 WeakPolarHBondContact O-CG1 3.31Å; K294-I298 PolarHBondContact O-N 3.03Å; A295-I298 PolarHBondContact O-N 2.83Å; I298-K300 VanDerWaalsContact C-N 3.34Å; I298-K300 PolarHBondContact O-N 2.96Å; I298-D301 PolarHBondContact O-N 2.81Å; I298-M302 HydrophobicContact CG2-CG 4.42Å; I298-M302 HydrophobicContact CG2-SD 4.03Å; I298-M302 VanDerWaalsContact O-CG 3.31Å; I298-M302 WeakPolarHBondContact O-CG 3.33Å; I298-M302 PolarHBondContact O-N 3.13Å
299T86.2Confident85.4Confident3 Ų383.8 Ų83.82%0.01840%0.397CS..Hα-helixtrans-64.4-38.1179.3-48.50000112.1I7 A11 A295 K297 M302 A303 L310I7-T299 HydrophobicContact CG2-CG2 3.87Å; A11-T299 HydrophobicContact CB-CG2 4.25Å; A295-T299 PolarHBondContact O-N 3.39Å; A295-T299 PolarHBondContact O-OG1 3.01Å; K297-T299 PolarHBondContact O-N 3.05Å; T299-M302 PolarHBondContact O-N 3.25Å; T299-A303 WeakPolarHBondContact O-CB 3.48Å; T299-A303 PolarHBondContact O-N 3.37Å; T299-L310 HydrophobicContact CG2-CD2 3.59Å
300K86.9Confident85.3Confident101 Ų10181.3 Ų81.344%0.43939%0.386SS..Hα-helixtrans-63.8-42.7173.2-77.5179179.4179.30111.9V296 K297 I298 A303 K304 I314V296-K300 HydrophobicContact CG1-CD 3.96Å; V296-K300 HydrophobicContact CG1-CG 4.37Å; V296-K300 WeakPolarHBondContact O-CB 3.17Å; V296-K300 VanDerWaalsContact O-CG 3.3Å; V296-K300 WeakPolarHBondContact O-CG 3.45Å; V296-K300 PolarHBondContact O-N 3.33Å; K297-K300 PolarHBondContact O-N 3.05Å; I298-K300 VanDerWaalsContact C-N 3.34Å; I298-K300 PolarHBondContact O-N 2.96Å; K300-A303 PolarHBondContact O-N 2.96Å; K300-K304 WeakPolarHBondContact O-CB 3.29Å; K300-K304 PolarHBondContact O-N 3.1Å; K300-I314 HydrophobicContact CG-CD1 4.4Å
301D87.8Confident84.7Confident89 Ų8977.2 Ų77.248%0.47637%0.367SS..Hα-helixtrans-63.3-42.3176.9-68.8-25.1000111.1K297 I298 K304 E305K297-D301 VanDerWaalsContact O-CG 3.28Å; K297-D301 PolarHBondContact O-N 2.87Å; I298-D301 PolarHBondContact O-N 2.81Å; D301-K304 PolarHBondContact O-N 3.44Å; D301-E305 PolarHBondContact O-N 3.45Å
302M87.6Confident83.8Confident6 Ų680.1 Ų80.13%0.0338%0.384CS..Hα-helixtrans-60.8-45.9174.1-71.217364.300112.1Q18 I224 P283 I298 T299 K304 E305 N306Q18-M302 HydrophobicContact CG-CE 3.88Å; I224-M302 HydrophobicContact CG2-CE 3.8Å; P283-M302 HydrophobicContact CG-SD 4.48Å; I298-M302 HydrophobicContact CG2-CG 4.42Å; I298-M302 HydrophobicContact CG2-SD 4.03Å; I298-M302 VanDerWaalsContact O-CG 3.31Å; I298-M302 WeakPolarHBondContact O-CG 3.33Å; I298-M302 PolarHBondContact O-N 3.13Å; T299-M302 PolarHBondContact O-N 3.25Å; M302-K304 PolarHBondContact O-N 2.92Å; M302-E305 PolarHBondContact O-N 3.04Å; M302-N306 WeakPolarHBondContact O-CB 3.31Å; M302-N306 VanDerWaalsContact O-CG 3.23Å; M302-N306 PolarHBondContact O-N 2.99Å; M302-N306 PolarHBondContact O-ND2 2.84Å
303A86.4Confident82.6Confident3 Ų380.4 Ų80.43%0.02539%0.387CS..Hα-helixtrans-65-39.2179.300000112.5A11 T299 K300 N306 R307 K308 L310A11-A303 HydrophobicContact CB-CB 4.42Å; T299-A303 WeakPolarHBondContact O-CB 3.48Å; T299-A303 PolarHBondContact O-N 3.37Å; K300-A303 PolarHBondContact O-N 2.96Å; A303-N306 CarbonylContact O-C 3.43Å; A303-N306 PolarHBondContact O-N 3.46Å; A303-R307 PolarHBondContact O-N 3.04Å; A303-K308 CarbonylContact C-O 3.51Å; A303-K308 PolarHBondContact O-N 3.4Å; A303-L310 HydrophobicContact CB-CD1 3.2Å
304K87.8Confident81.5Confident167 Ų16776.1 Ų76.173%0.72636%0.356SS*.Hα-helixtrans-60.6-45.1174.8-172.7-179.8-179.5-177.80111.4K300 D301 M302 N306 R307K300-K304 WeakPolarHBondContact O-CB 3.29Å; K300-K304 PolarHBondContact O-N 3.1Å; D301-K304 PolarHBondContact O-N 3.44Å; M302-K304 PolarHBondContact O-N 2.92Å; K304-N306 VanDerWaalsContact C-N 3.29Å; K304-N306 PolarHBondContact O-N 2.69Å; K304-R307 PolarHBondContact O-N 3.47Å
305E87.4Confident80.3Confident73 Ų7377.7 Ų77.734%0.34137%0.366SS..Hα-helixtrans-65.7-33.2175.8-173.6166.8-172.200112.2C17 R20 D301 M302 R307C17-E305 HydrophobicContact CB-CB 4.15Å; C17-E305 HydrophobicContact CB-CG 4.04Å; C17-E305 WeakPolarHBondContact CB-OE2 3.32Å; C17-E305 PolarHBondContact SG-OE2 3.4Å; R20-E305 IonicContact CZ-OE1 3.21Å; R20-E305 IonicContact CZ-OE2 3.58Å; R20-E305 IonicContact NH1-OE1 2.68Å; R20-E305 PolarHBondContact NH1-OE1 3.42Å; R20-E305 IonicContact NH1-OE2 3.6Å; R20-E305 IonicContact NH2-OE1 2.63Å; R20-E305 PolarHBondContact NH2-OE1 3.33Å; R20-E305 IonicContact NH2-OE2 3.79Å; R20-E305 PolarHBondContact NH2-OE2 3.19Å; D301-E305 PolarHBondContact O-N 3.45Å; M302-E305 PolarHBondContact O-N 3.04Å; E305-R307 VanDerWaalsContact C-N 3.29Å; E305-R307 PolarHBondContact O-N 3.49Å
306N87.4Confident79.2Confident23 Ų2382.4 Ų82.412%0.12339%0.394CS..THydrogen-bonded Turntrans-81.2-2.8175.5-69.3-17.4000114.3A11 G15 R16 C17 Q18 M302 A303 K304 K308A11-N306 PolarHBondContact O-ND2 3.49Å; G15-N306 VanDerWaalsContact C-OD1 3.31Å; G15-N306 WeakPolarHBondContact CA-OD1 3.35Å; R16-N306 PolarHBondContact N-OD1 3.12Å; C17-N306 PolarHBondContact N-OD1 3.44Å; C17-N306 VanDerWaalsContact N-OD1 3.14Å; Q18-N306 PolarHBondContact NE2-ND2 2.92Å; Q18-N306 PolarHBondContact OE1-ND2 3.5Å; Q18-N306 PolarHBondContact OE1-OD1 3.31Å; M302-N306 WeakPolarHBondContact O-CB 3.31Å; M302-N306 VanDerWaalsContact O-CG 3.23Å; M302-N306 PolarHBondContact O-N 2.99Å; M302-N306 PolarHBondContact O-ND2 2.84Å; A303-N306 CarbonylContact O-C 3.43Å; A303-N306 PolarHBondContact O-N 3.46Å; K304-N306 VanDerWaalsContact C-N 3.29Å; K304-N306 PolarHBondContact O-N 2.69Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 HydrophobicContact CB-CG 4.35Å; N306-K308 PolarHBondContact O-N 3.48Å
307R86Confident78.1Confident211 Ų21181.7 Ų81.780%0.79639%0.39SS*.THydrogen-bonded Turntrans55.439.3-174.2-54.4-179.5178.8-175-3.2112.8A303 K304 E305A303-R307 PolarHBondContact O-N 3.04Å; K304-R307 PolarHBondContact O-N 3.47Å; E305-R307 VanDerWaalsContact C-N 3.29Å; E305-R307 PolarHBondContact O-N 3.49Å
308K84.1Confident76.6Confident123 Ų12376.4 Ų76.454%0.53537%0.371SS..  trans-114.2148.7175.9-69.5-71.5-175.41720110.1A303 N306A303-K308 CarbonylContact C-O 3.51Å; A303-K308 PolarHBondContact O-N 3.4Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 HydrophobicContact CB-CG 4.35Å; N306-K308 PolarHBondContact O-N 3.48Å
309T78.2Confident74.9Confident136 Ų13677 Ų7783%0.83437%0.374SS*.  trans-105.8122.1176.5-52.20000108.1
310L76.3Confident73.3Confident28 Ų2881.5 Ų81.515%0.14740%0.398CS..  trans-81.3146.9174.4-95.767.9000111.3I7 E10 A11 T299 A303 I314I7-L310 HydrophobicContact CG2-CD2 3.47Å; I7-L310 VanDerWaalsContact CG2-CD2 3.47Å; I7-L310 HydrophobicContact CG2-CG 4.44Å; E10-L310 HydrophobicContact CB-CG 4.3Å; A11-L310 HydrophobicContact CB-CD1 3.9Å; T299-L310 HydrophobicContact CG2-CD2 3.59Å; A303-L310 HydrophobicContact CB-CD1 3.2Å; L310-I314 HydrophobicContact CB-CD1 3.36Å; L310-I314 HydrophobicContact CB-CG1 4.07Å; L310-I314 HydrophobicContact CD2-CD1 3.35Å; L310-I314 HydrophobicContact CD2-CG1 3.54Å; L310-I314 HydrophobicContact CG-CD1 3.91Å; L310-I314 HydrophobicContact CG-CG1 4.26Å
311S69.9Low71.5Confident40 Ų4081.7 Ų81.728%0.2840%0.404SS..  trans-66.8158.8170.368.90000111.4E10 M313E10-S311 PolarHBondContact OE1-OG 2.62Å; E10-S311 VanDerWaalsContact OE1-OG 3.05Å; E10-S311 WeakPolarHBondContact OE2-CB 3.4Å; E10-S311 PolarHBondContact OE2-N 3.07Å; E10-S311 PolarHBondContact OE2-OG 3.49Å; S311-M313 PolarHBondContact O-N 3.12Å; S311-M313 VanDerWaalsContact OG-CB 3.29Å; S311-M313 WeakPolarHBondContact OG-CB 3.28Å
312K65.2Low69.3Low182 Ų18281.4 Ų81.479%0.79141%0.414SS*.G310 helixtrans-63.2-6.5172.4-77.6-178.2175.8-179.30113.2I314 E315K312-I314 PolarHBondContact O-N 2.99Å; K312-I314 VanDerWaalsContact O-N 3.14Å; K312-E315 PolarHBondContact O-N 3.12Å
313M57.8Low67Low93 Ų9388.5 Ų88.546%0.45845%0.452SS..G310 helixtrans-63.8-17.1-179.9-155.7171.2-74.500113.2A2 S311 E315 T316A2-M313 HydrophobicContact CB-CG 3.75Å; A2-M313 HydrophobicContact CB-SD 3.31Å; A2-M313 WeakPolarHBondContact CB-SD 3.13Å; S311-M313 PolarHBondContact O-N 3.12Å; S311-M313 VanDerWaalsContact OG-CB 3.29Å; S311-M313 WeakPolarHBondContact OG-CB 3.28Å; M313-E315 PolarHBondContact O-N 2.86Å; M313-T316 PolarHBondContact O-N 2.84Å; M313-T316 VanDerWaalsContact O-N 3.15Å; M313-T316 PolarHBondContact O-OG1 3.24Å
314I62.6Low65.1Low8 Ų893.2 Ų93.24%0.04149%0.485CS..G310 helixtrans-53.2-35.2168.4-61.1158.2000112.7I7 V296 K300 L310 K312 T316 L317I7-I314 HydrophobicContact CD1-CG1 4.36Å; I7-I314 HydrophobicContact CG2-CG1 4.22Å; V296-I314 HydrophobicContact CB-CG2 3.92Å; V296-I314 HydrophobicContact CG1-CG2 3.59Å; V296-I314 HydrophobicContact CG2-CG2 3.31Å; K300-I314 HydrophobicContact CG-CD1 4.4Å; L310-I314 HydrophobicContact CB-CD1 3.36Å; L310-I314 HydrophobicContact CB-CG1 4.07Å; L310-I314 HydrophobicContact CD2-CD1 3.35Å; L310-I314 HydrophobicContact CD2-CG1 3.54Å; L310-I314 HydrophobicContact CG-CD1 3.91Å; L310-I314 HydrophobicContact CG-CG1 4.26Å; K312-I314 PolarHBondContact O-N 2.99Å; K312-I314 VanDerWaalsContact O-N 3.14Å; I314-T316 VanDerWaalsContact C-N 3.25Å; I314-T316 PolarHBondContact O-N 3.38Å; I314-L317 HydrophobicContact CG2-CD1 3.94Å; I314-L317 WeakPolarHBondContact O-CB 3.33Å; I314-L317 VanDerWaalsContact O-CD1 3.27Å; I314-L317 WeakPolarHBondContact O-CD1 3.31Å; I314-L317 VanDerWaalsContact O-CG 3.31Å; I314-L317 WeakPolarHBondContact O-CG 3.46Å; I314-L317 PolarHBondContact O-N 3.32Å
315E60.8Low63.3Low150 Ų15088.7 Ų88.770%0.70147%0.474SS*.G310 helixtrans-75.9-17.3-175.2-66.7177-177.700112.5K312 M313K312-E315 PolarHBondContact O-N 3.12Å; M313-E315 PolarHBondContact O-N 2.86Å
316T62.4Low61.7Low100 Ų10091.7 Ų91.761%0.61350%0.497SS*.G310 helixtrans-98.213.5176.320.50000113.3M313 I314 S318M313-T316 PolarHBondContact O-N 2.84Å; M313-T316 VanDerWaalsContact O-N 3.15Å; M313-T316 PolarHBondContact O-OG1 3.24Å; I314-T316 VanDerWaalsContact C-N 3.25Å; I314-T316 PolarHBondContact O-N 3.38Å; T316-S318 PolarHBondContact O-N 2.9Å
317L61.9Low60.7Low9 Ų993.3 Ų93.35%0.04751%0.508CS..  trans-53.4106.4174.3-89.6167.3000111.5I7 L287 K292 V296 I314I7-L317 HydrophobicContact CD1-CD1 3.71Å; I7-L317 HydrophobicContact CD1-CD2 3.44Å; I7-L317 VanDerWaalsContact CD1-CD2 3.44Å; I7-L317 HydrophobicContact CD1-CG 3.5Å; L287-L317 HydrophobicContact CD1-CD1 4.23Å; L287-L317 HydrophobicContact CD1-CD2 4.11Å; L287-L317 HydrophobicContact CD2-CB 4.41Å; L287-L317 HydrophobicContact CD2-CD1 4.05Å; K292-L317 PolarHBondContact NZ-O 2.88Å; V296-L317 HydrophobicContact CG2-CD1 4.47Å; I314-L317 HydrophobicContact CG2-CD1 3.94Å; I314-L317 WeakPolarHBondContact O-CB 3.33Å; I314-L317 VanDerWaalsContact O-CD1 3.27Å; I314-L317 WeakPolarHBondContact O-CD1 3.31Å; I314-L317 VanDerWaalsContact O-CG 3.31Å; I314-L317 WeakPolarHBondContact O-CG 3.46Å; I314-L317 PolarHBondContact O-N 3.32Å
318S56.7Low60.2Low29 Ų2986 Ų8620%0.20349%0.489CS..  trans-91148164.548.20000109.5M1 T316 D320M1-S318 WeakPolarHBondContact CG-OG 3.38Å; M1-S318 PolarHBondContact SD-OG 3.14Å; T316-S318 PolarHBondContact O-N 2.9Å; S318-D320 PolarHBondContact O-N 3.18Å
319D54.3Low59.9Low44 Ų4485.2 Ų85.224%0.23549%0.486CS..  trans-82.6111.3171.8-165.97.9000107.5S288 N321S288-D319 WeakPolarHBondContact CA-OD2 3.35Å; D319-N321 PolarHBondContact O-N 3.01Å; D319-N321 WeakPolarHBondContact OD1-CB 3.45Å; D319-N321 PolarHBondContact OD1-N 3.36Å; D319-N321 PolarHBondContact OD1-ND2 3.3Å
320D52.6Low59.9Low97 Ų9783.6 Ų83.652%0.51947%0.471SS..THydrogen-bonded Turntrans-71.5-4.4175-69.2-23.7000111.8S318 A322S318-D320 PolarHBondContact O-N 3.18Å; D320-A322 VanDerWaalsContact C-N 3.3Å; D320-A322 PolarHBondContact O-N 3.07Å
321N49.1Very low60Low105 Ų10583.8 Ų83.856%0.56147%0.472SS*.THydrogen-bonded Turntrans-87.214.8177.5-58.9-61.2000114.3D319 D323 S324D319-N321 PolarHBondContact O-N 3.01Å; D319-N321 WeakPolarHBondContact OD1-CB 3.45Å; D319-N321 PolarHBondContact OD1-N 3.36Å; D319-N321 PolarHBondContact OD1-ND2 3.3Å; N321-D323 PolarHBondContact O-N 3Å; N321-D323 VanDerWaalsContact O-N 3.15Å; N321-S324 PolarHBondContact O-N 3.33Å
322A40.3Very low60.5Low83 Ų8381.9 Ų81.969%0.68646%0.458SS*.THydrogen-bonded Turntrans-63.9-17-177.600000114.3D320D320-A322 VanDerWaalsContact C-N 3.3Å; D320-A322 PolarHBondContact O-N 3.07Å
323D39.8Very low61.6Low155 Ų15576.2 Ų76.283%0.82944%0.436SS*.THydrogen-bonded Turntrans-111.757.3175.4-70.8-30.7000111.8N321 S325N321-D323 PolarHBondContact O-N 3Å; N321-D323 VanDerWaalsContact O-N 3.15Å; D323-S325 PolarHBondContact O-N 3Å
324S45.9Very low62.9Low102 Ų10280.6 Ų80.671%0.71345%0.447SS*.  trans-73.382.1166.7690000109.3N321 T326N321-S324 PolarHBondContact O-N 3.33Å; S324-T326 PolarHBondContact O-N 3.14Å
325S49.8Very low64.1Low71 Ų7181.6 Ų81.650%0.49745%0.454SS..  trans-49.7125.7162.1570000107.8D323 T327D323-S325 PolarHBondContact O-N 3Å; S325-T327 PolarHBondContact O-N 2.73Å
326T55.6Low65.3Low136 Ų13678.2 Ų78.283%0.83445%0.445SS*.  trans-57.2106-18049.40000109.3S324 S328S324-T326 PolarHBondContact O-N 3.14Å; T326-S328 PolarHBondContact O-N 2.59Å
327T64.9Low66.5Low57 Ų5777.2 Ų77.235%0.3543%0.432SS..  trans-66.6124.2178.950.90000109.4S325 F455 V456S325-T327 PolarHBondContact O-N 2.73Å; T327-F455 HydrophobicContact CG2-CD2 4.1Å; T327-F455 WeakPolarHBondContact CG2-O 3.49Å; T327-V456 HydrophobicContact CG2-CB 4.36Å; T327-V456 HydrophobicContact CG2-CG2 4.37Å
328S77Confident67.7Low57 Ų5776.8 Ų76.840%0.39943%0.43SS..  trans-107148.5177-175.90000111.1T326 M330 D331T326-S328 PolarHBondContact O-N 2.59Å; S328-M330 PolarHBondContact O-N 3.28Å; S328-M330 VanDerWaalsContact O-N 3.16Å; S328-M330 PolarHBondContact OG-N 3.03Å; S328-D331 PolarHBondContact N-OD2 3.3Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 3.2Å
329F76.6Confident69.4Low107 Ų10781.3 Ų81.347%0.46944%0.442SS..Hα-helixtrans-55.4-29.3167.4-175.3-95.8000112.5D331 L332 I333 F459 V463F329-D331 PolarHBondContact O-N 3.08Å; F329-L332 PolarHBondContact O-N 2.86Å; F329-I333 HydrophobicContact CD1-CD1 4.12Å; F329-I333 HydrophobicContact CE1-CD1 3.97Å; F329-I333 HydrophobicContact CE1-CG2 4.16Å; F329-I333 HydrophobicContact CZ-CG2 4.41Å; F329-F459 HydrophobicContact CB-CE1 4.13Å; F329-F459 HydrophobicContact CB-CZ 4.14Å; F329-F459 HydrophobicContact CD2-CE1 4.16Å; F329-F459 HydrophobicContact CD2-CZ 4.22Å; F329-V463 HydrophobicContact CD2-CG1 4.49Å; F329-V463 HydrophobicContact CD2-CG2 4.11Å; F329-V463 HydrophobicContact CE2-CG1 3.78Å; F329-V463 HydrophobicContact CE2-CG2 4.19Å
330M78.8Confident71.2Confident103 Ų10383.4 Ų83.451%0.50745%0.449SS..Hα-helixtrans-59.3-33.3175.5-166.958.162.600112.1S328 L332 I333 R334S328-M330 PolarHBondContact O-N 3.28Å; S328-M330 VanDerWaalsContact O-N 3.16Å; S328-M330 PolarHBondContact OG-N 3.03Å; M330-L332 PolarHBondContact O-N 2.95Å; M330-I333 HydrophobicContact CE-CD1 4.37Å; M330-I333 WeakPolarHBondContact O-CG1 3.29Å; M330-I333 PolarHBondContact O-N 2.89Å; M330-I333 VanDerWaalsContact O-N 3.17Å; M330-I333 HydrophobicContact SD-CD1 3.94Å; M330-I333 HydrophobicContact SD-CG1 3.97Å; M330-R334 HydrophobicContact CG-CB 4.39Å; M330-R334 WeakPolarHBondContact O-CB 3.49Å; M330-R334 PolarHBondContact O-N 3.28Å
331D79.2Confident73Confident32 Ų3279.5 Ų79.517%0.17143%0.428CS..Hα-helixtrans-68-22.7-175.7-59.2-35.3000112.9S328 F329 I520S328-D331 PolarHBondContact N-OD2 3.3Å; S328-D331 WeakPolarHBondContact O-CB 3.46Å; S328-D331 PolarHBondContact O-N 3.2Å; F329-D331 PolarHBondContact O-N 3.08Å; D331-I520 HydrophobicContact CB-CD1 4.02Å
332L80.2Confident75Confident0 Ų075 Ų750%040%0.404CS..Hα-helixtrans-77.9-33.7174.7-79.4134.4000113.5F329 M330 M338 R339 T342 Y452 V456 F459 V463F329-L332 PolarHBondContact O-N 2.86Å; M330-L332 PolarHBondContact O-N 2.95Å; L332-M338 CarbonylContact O-C 3.58Å; L332-R339 WeakPolarHBondContact O-CA 3.18Å; L332-R339 PolarHBondContact O-N 3.41Å; L332-T342 HydrophobicContact CD2-CG2 4.02Å; L332-T342 PolarHBondContact O-OG1 3.35Å; L332-Y452 HydrophobicContact CD2-CD1 4.16Å; L332-Y452 HydrophobicContact CD2-CE1 3.33Å; L332-V456 HydrophobicContact CD1-CG2 4.45Å; L332-V456 HydrophobicContact CG-CG2 4.47Å; L332-F459 HydrophobicContact CD1-CD1 3.36Å; L332-F459 HydrophobicContact CD1-CE1 3.34Å; L332-V463 HydrophobicContact CD1-CG2 4.35Å
333I87.9Confident77.6Confident63 Ų6376.5 Ų76.532%0.32340%0.4SS..Hα-helixtrans-104.3-16.3-170.959.7170.1000113.3F329 M330F329-I333 HydrophobicContact CD1-CD1 4.12Å; F329-I333 HydrophobicContact CE1-CD1 3.97Å; F329-I333 HydrophobicContact CE1-CG2 4.16Å; F329-I333 HydrophobicContact CZ-CG2 4.41Å; M330-I333 HydrophobicContact CE-CD1 4.37Å; M330-I333 WeakPolarHBondContact O-CG1 3.29Å; M330-I333 PolarHBondContact O-N 2.89Å; M330-I333 VanDerWaalsContact O-N 3.17Å; M330-I333 HydrophobicContact SD-CD1 3.94Å; M330-I333 HydrophobicContact SD-CG1 3.97Å
334R84.9Confident80.2Confident185 Ų18569.6 Ų69.670%0.69836%0.363SS*.SBendtrans-67.5-43.9-171.9-179175.5-174178.81.5113.2M330M330-R334 HydrophobicContact CG-CB 4.39Å; M330-R334 WeakPolarHBondContact O-CB 3.49Å; M330-R334 PolarHBondContact O-N 3.28Å
335T86.9Confident82.5Confident29 Ų2964.7 Ų64.718%0.17833%0.329CS..SBendtrans-100.1146.2-176.168.60000111.6K337 M338 R339 I520 E524T335-K337 PolarHBondContact O-N 3.06Å; T335-M338 PolarHBondContact O-N 2.83Å; T335-M338 VanDerWaalsContact OG1-CB 3.24Å; T335-M338 WeakPolarHBondContact OG1-CB 3.49Å; T335-M338 WeakPolarHBondContact OG1-CG 3.4Å; T335-R339 VanDerWaalsContact O-CB 3.26Å; T335-R339 WeakPolarHBondContact O-CB 3.24Å; T335-R339 PolarHBondContact O-N 3.46Å; T335-I520 HydrophobicContact CG2-CG2 3.85Å; T335-E524 WeakPolarHBondContact CB-OE1 3.42Å; T335-E524 HydrophobicContact CG2-CG 4.29Å; T335-E524 PolarHBondContact OG1-OE1 3.45Å
336P87.4Confident84.6Confident78 Ų7861.9 Ų61.951%0.50631%0.309SS..Hα-helixtrans-68.2-38.2-165.525.4-33.8000113.8K340P336-K340 WeakPolarHBondContact O-CB 2.96Å; P336-K340 PolarHBondContact O-N 3.24Å
337K87.1Confident86.6Confident80 Ų8058.1 Ų58.135%0.34828%0.281SS..Hα-helixtrans-75.5-40177.9-65.9-175.6-173.9165.90111.6T335 R339 K340 H341 I523 E524 P526T335-K337 PolarHBondContact O-N 3.06Å; K337-R339 PolarHBondContact O-N 3.49Å; K337-K340 WeakPolarHBondContact O-CB 3.48Å; K337-K340 PolarHBondContact O-N 3.02Å; K337-H341 VanDerWaalsContact O-CG 3.31Å; K337-H341 PolarHBondContact O-N 3.03Å; K337-I523 HydrophobicContact CB-CG2 4.32Å; K337-I523 VanDerWaalsContact CD-O 3.31Å; K337-I523 WeakPolarHBondContact CD-O 3.13Å; K337-E524 WeakPolarHBondContact CA-OE1 2.94Å; K337-E524 WeakPolarHBondContact CB-OE1 3.25Å; K337-E524 WeakPolarHBondContact CB-OE2 3.33Å; K337-E524 WeakPolarHBondContact CG-OE2 3.24Å; K337-E524 PolarHBondContact N-OE1 2.8Å; K337-E524 PolarHBondContact N-OE2 3.36Å; K337-E524 PolarHBondContact NZ-O 2.93Å; K337-P526 VanDerWaalsContact NZ-CD 3.33Å
338M87.1Confident88Confident0 Ų055.4 Ų55.40%027%0.265CS..Hα-helixtrans-58.7-46.7173.2-73.3-66-70.200112.1L332 T335 K340 H341 T342 Y452 P453 V456 I520 I523 E524L332-M338 CarbonylContact O-C 3.58Å; T335-M338 PolarHBondContact O-N 2.83Å; T335-M338 VanDerWaalsContact OG1-CB 3.24Å; T335-M338 WeakPolarHBondContact OG1-CB 3.49Å; T335-M338 WeakPolarHBondContact OG1-CG 3.4Å; M338-K340 VanDerWaalsContact C-N 3.32Å; M338-K340 PolarHBondContact O-N 3.4Å; M338-H341 PolarHBondContact O-N 3.15Å; M338-T342 WeakPolarHBondContact O-CB 3.29Å; M338-T342 PolarHBondContact O-N 3.18Å; M338-T342 PolarHBondContact O-OG1 3.01Å; M338-Y452 HydrophobicContact CE-CD1 3.6Å; M338-Y452 HydrophobicContact CE-CE1 3.81Å; M338-P453 HydrophobicContact CE-CG 4.36Å; M338-V456 HydrophobicContact CE-CG1 4.43Å; M338-I520 HydrophobicContact CG-CG2 3.92Å; M338-I523 HydrophobicContact CE-CD1 4.39Å; M338-I523 HydrophobicContact CG-CG2 4.31Å; M338-I523 HydrophobicContact SD-CB 4.16Å; M338-I523 HydrophobicContact SD-CD1 3.29Å; M338-I523 WeakPolarHBondContact SD-CD1 3.19Å; M338-I523 HydrophobicContact SD-CG1 4.3Å; M338-I523 HydrophobicContact SD-CG2 3.85Å; M338-E524 PolarHBondContact N-OE1 2.99Å; M338-E524 VanDerWaalsContact N-OE1 3.12Å
339R91.4Very high88.9Confident124 Ų12453.6 Ų53.647%0.46825%0.249SC..Hα-helixtrans-60.3-42.8175.5179.5176.654.3-177.3-5.7111.6L332 T335 K337 T342 L343L332-R339 WeakPolarHBondContact O-CA 3.18Å; L332-R339 PolarHBondContact O-N 3.41Å; T335-R339 VanDerWaalsContact O-CB 3.26Å; T335-R339 WeakPolarHBondContact O-CB 3.24Å; T335-R339 PolarHBondContact O-N 3.46Å; K337-R339 PolarHBondContact O-N 3.49Å; R339-T342 PolarHBondContact O-N 3.04Å; R339-L343 HydrophobicContact CG-CD1 4Å; R339-L343 HydrophobicContact CG-CG 4.43Å; R339-L343 WeakPolarHBondContact O-CB 3.33Å; R339-L343 VanDerWaalsContact O-CG 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.18Å; R339-L343 PolarHBondContact O-N 3.37Å
340K92.1Very high89.8Confident88 Ų8850.5 Ų50.538%0.38324%0.236SC..Hα-helixtrans-60.4-48.7176.3-177.4-172.6178.1-164.90111.3P336 K337 M338 L343 I344 L507P336-K340 WeakPolarHBondContact O-CB 2.96Å; P336-K340 PolarHBondContact O-N 3.24Å; K337-K340 WeakPolarHBondContact O-CB 3.48Å; K337-K340 PolarHBondContact O-N 3.02Å; M338-K340 VanDerWaalsContact C-N 3.32Å; M338-K340 PolarHBondContact O-N 3.4Å; K340-L343 PolarHBondContact O-N 3.2Å; K340-I344 HydrophobicContact CD-CD1 4.45Å; K340-I344 HydrophobicContact CG-CD1 3.75Å; K340-I344 WeakPolarHBondContact O-CB 3.49Å; K340-I344 WeakPolarHBondContact O-CD1 3.38Å; K340-I344 VanDerWaalsContact O-CG1 3.24Å; K340-I344 WeakPolarHBondContact O-CG1 3.48Å; K340-I344 PolarHBondContact O-N 3.49Å; K340-L507 PolarHBondContact NZ-O 2.93Å
341H91.4Very high90.6Very high14 Ų1445.6 Ų45.67%0.06521%0.212CC..Hα-helixtrans-60.2-47.2177.3-64.7168.5000111.1K337 M338 L343 I344 L345 L508 P509K337-H341 VanDerWaalsContact O-CG 3.31Å; K337-H341 PolarHBondContact O-N 3.03Å; M338-H341 PolarHBondContact O-N 3.15Å; H341-L343 PolarHBondContact O-N 2.89Å; H341-I344 PolarHBondContact O-N 3.23Å; H341-L345 WeakPolarHBondContact O-CB 3.45Å; H341-L345 VanDerWaalsContact O-CG 3.24Å; H341-L345 WeakPolarHBondContact O-CG 3.5Å; H341-L345 PolarHBondContact O-N 3.36Å; H341-L508 HydrophobicContact CB-CD2 4.46Å; H341-P509 VanDerWaalsContact NE2-CD 3.31Å; H341-P509 WeakPolarHBondContact NE2-CD 3.08Å
342T91.5Very high91.4Very high10 Ų1044.1 Ų44.16%0.06120%0.204CC..Hα-helixtrans-58.8-48.3179.5-51.80000111.7L332 M338 R339 L345 S346 Y452L332-T342 HydrophobicContact CD2-CG2 4.02Å; L332-T342 PolarHBondContact O-OG1 3.35Å; M338-T342 WeakPolarHBondContact O-CB 3.29Å; M338-T342 PolarHBondContact O-N 3.18Å; M338-T342 PolarHBondContact O-OG1 3.01Å; R339-T342 PolarHBondContact O-N 3.04Å; T342-L345 PolarHBondContact O-N 3.36Å; T342-S346 WeakPolarHBondContact O-CB 3.44Å; T342-S346 PolarHBondContact O-N 3.47Å; T342-S346 PolarHBondContact O-OG 2.87Å; T342-Y452 VanDerWaalsContact CA-OH 3.24Å; T342-Y452 WeakPolarHBondContact CA-OH 3.35Å; T342-Y452 WeakPolarHBondContact CB-OH 3.49Å; T342-Y452 WeakPolarHBondContact CG2-OH 3.23Å; T342-Y452 PolarHBondContact OG1-OH 3.47Å
343L94Very high92.1Very high116 Ų11644.1 Ų44.161%0.60720%0.204SC*.Hα-helixtrans-64.9-43.1179.7-71.1173.6000112.5R339 K340 H341 F347R339-L343 HydrophobicContact CG-CD1 4Å; R339-L343 HydrophobicContact CG-CG 4.43Å; R339-L343 WeakPolarHBondContact O-CB 3.33Å; R339-L343 VanDerWaalsContact O-CG 3.31Å; R339-L343 WeakPolarHBondContact O-CG 3.18Å; R339-L343 PolarHBondContact O-N 3.37Å; K340-L343 PolarHBondContact O-N 3.2Å; H341-L343 PolarHBondContact O-N 2.89Å; L343-F347 WeakPolarHBondContact O-CB 3.42Å; L343-F347 PolarHBondContact O-N 3.25Å
344I95.1Very high92.4Very high9 Ų941.1 Ų41.15%0.04619%0.188CC..Hα-helixtrans-64.6-45.8178.8-67.1168.2000110.6K340 H341 F347 N348 L504 L507 L508K340-I344 HydrophobicContact CD-CD1 4.45Å; K340-I344 HydrophobicContact CG-CD1 3.75Å; K340-I344 WeakPolarHBondContact O-CB 3.49Å; K340-I344 WeakPolarHBondContact O-CD1 3.38Å; K340-I344 VanDerWaalsContact O-CG1 3.24Å; K340-I344 WeakPolarHBondContact O-CG1 3.48Å; K340-I344 PolarHBondContact O-N 3.49Å; H341-I344 PolarHBondContact O-N 3.23Å; I344-F347 PolarHBondContact O-N 3.2Å; I344-N348 WeakPolarHBondContact O-CB 3.46Å; I344-N348 PolarHBondContact O-N 3.01Å; I344-N348 PolarHBondContact O-ND2 2.78Å; I344-L504 HydrophobicContact CG1-CB 4.3Å; I344-L504 HydrophobicContact CG2-CB 4.01Å; I344-L507 HydrophobicContact CD1-CB 4.08Å; I344-L508 HydrophobicContact CB-CD2 4.13Å; I344-L508 HydrophobicContact CD1-CD2 3.9Å; I344-L508 HydrophobicContact CD1-CG 4.38Å; I344-L508 HydrophobicContact CG2-CD1 3.87Å; I344-L508 HydrophobicContact CG2-CD2 3.99Å; I344-L508 HydrophobicContact CG2-CG 3.91Å
345L93.7Very high93Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-67.2-43.4179.8-70.1169.5000111.3H341 T342 F347 N348 W349 V447 N448 L451 Y452 L508H341-L345 WeakPolarHBondContact O-CB 3.45Å; H341-L345 VanDerWaalsContact O-CG 3.24Å; H341-L345 WeakPolarHBondContact O-CG 3.5Å; H341-L345 PolarHBondContact O-N 3.36Å; T342-L345 PolarHBondContact O-N 3.36Å; L345-F347 VanDerWaalsContact C-N 3.35Å; L345-F347 PolarHBondContact O-N 3.44Å; L345-N348 PolarHBondContact O-N 3.47Å; L345-W349 VanDerWaalsContact O-CD1 3.26Å; L345-W349 PolarHBondContact O-N 2.95Å; L345-V447 HydrophobicContact CD2-CG1 4.18Å; L345-N448 HydrophobicContact CD1-CB 4.47Å; L345-N448 HydrophobicContact CD2-CB 4.47Å; L345-L451 HydrophobicContact CD1-CB 4.47Å; L345-L451 HydrophobicContact CD1-CD1 3.96Å; L345-L451 HydrophobicContact CD2-CD1 4.3Å; L345-L451 HydrophobicContact CG-CD1 4.41Å; L345-Y452 HydrophobicContact CD1-CE2 3.94Å; L345-L508 HydrophobicContact CD2-CD1 4.25Å
346S94.6Very high93.3Very high12 Ų1231.4 Ų31.48%0.08415%0.148CC..Hα-helixtrans-59.9-43.1175.4-68.60000112T342 N348 W349 F350 C464T342-S346 WeakPolarHBondContact O-CB 3.44Å; T342-S346 PolarHBondContact O-N 3.47Å; T342-S346 PolarHBondContact O-OG 2.87Å; S346-N348 VanDerWaalsContact C-N 3.35Å; S346-W349 PolarHBondContact O-N 3.11Å; S346-F350 WeakPolarHBondContact O-CB 3.37Å; S346-F350 PolarHBondContact O-N 2.91Å; S346-C464 PolarHBondContact OG-SG 2.88Å
347F96Very high93.5Very high56 Ų5627.7 Ų27.725%0.24612%0.124CC..Hα-helixtrans-65.7-37.3174.8-177.1-103.1000112.5L343 I344 L345 T351 L497 V500 A501 L504L343-F347 WeakPolarHBondContact O-CB 3.42Å; L343-F347 PolarHBondContact O-N 3.25Å; I344-F347 PolarHBondContact O-N 3.2Å; L345-F347 VanDerWaalsContact C-N 3.35Å; L345-F347 PolarHBondContact O-N 3.44Å; F347-T351 WeakPolarHBondContact CE1-OG1 3.25Å; F347-T351 VanDerWaalsContact O-CB 3.31Å; F347-T351 WeakPolarHBondContact O-CB 3.08Å; F347-T351 PolarHBondContact O-N 3.42Å; F347-T351 PolarHBondContact O-OG1 2.66Å; F347-L497 HydrophobicContact CE2-CD2 4.38Å; F347-L497 HydrophobicContact CZ-CD2 4.09Å; F347-V500 HydrophobicContact CE1-CB 4.22Å; F347-V500 HydrophobicContact CE1-CG1 3.82Å; F347-V500 HydrophobicContact CZ-CB 4.43Å; F347-V500 HydrophobicContact CZ-CG1 4.07Å; F347-A501 HydrophobicContact CD1-CB 4.09Å; F347-A501 HydrophobicContact CE1-CB 3.84Å; F347-L504 HydrophobicContact CD1-CD1 3.68Å; F347-L504 HydrophobicContact CE1-CD1 4.1Å; F347-L504 HydrophobicContact CG-CD1 4.35Å
348N95.9Very high93.8Very high0 Ų023.9 Ų23.90%011%0.108CC..Hα-helixtrans-67.2-42.6175.1-88.6-91.9000111.8I344 L345 S346 F350 T351 S352 F401 N405 V444 V505I344-N348 WeakPolarHBondContact O-CB 3.46Å; I344-N348 PolarHBondContact O-N 3.01Å; I344-N348 PolarHBondContact O-ND2 2.78Å; L345-N348 PolarHBondContact O-N 3.47Å; S346-N348 VanDerWaalsContact C-N 3.35Å; N348-F350 PolarHBondContact O-N 3.48Å; N348-T351 PolarHBondContact O-N 3.39Å; N348-S352 VanDerWaalsContact O-CB 3.25Å; N348-S352 WeakPolarHBondContact O-CB 3.47Å; N348-S352 PolarHBondContact O-N 3.45Å; N348-S352 PolarHBondContact O-OG 2.99Å; N348-F401 HydrophobicContact CB-CZ 3.96Å; N348-F401 WeakPolarHBondContact OD1-CZ 3.37Å; N348-N405 PolarHBondContact OD1-ND2 3.45Å; N348-V444 HydrophobicContact CB-CG2 3.93Å; N348-V505 WeakPolarHBondContact ND2-CG2 3.4Å; N348-V505 VanDerWaalsContact OD1-CG2 3.29Å; N348-V505 WeakPolarHBondContact OD1-CG2 3.45Å
349W95.2Very high94Very high19 Ų1924.9 Ų24.97%0.07211%0.113CC..Hα-helixtrans-58.2-47.5173.6-88.9106000112L345 S346 S352 A353 F441 V444 V445 N448 C464 C468L345-W349 VanDerWaalsContact O-CD1 3.26Å; L345-W349 PolarHBondContact O-N 2.95Å; S346-W349 PolarHBondContact O-N 3.11Å; W349-S352 PolarHBondContact O-N 2.93Å; W349-A353 WeakPolarHBondContact O-CB 3.32Å; W349-A353 PolarHBondContact O-N 2.97Å; W349-F441 HydrophobicContact CE3-CZ 4.5Å; W349-F441 HydrophobicContact CZ3-CE1 4.39Å; W349-F441 HydrophobicContact CZ3-CE2 4.43Å; W349-F441 HydrophobicContact CZ3-CZ 4Å; W349-V444 HydrophobicContact CD2-CG1 3.42Å; W349-V444 VanDerWaalsContact CD2-CG1 3.42Å; W349-V444 HydrophobicContact CE3-CG1 4.11Å; W349-V444 HydrophobicContact CG-CG1 3.57Å; W349-V444 HydrophobicContact CZ2-CG1 3.93Å; W349-V445 HydrophobicContact CH2-CG2 3.53Å; W349-V445 HydrophobicContact CZ2-CG2 3.89Å; W349-V445 HydrophobicContact CZ3-CG2 4.4Å; W349-N448 PolarHBondContact NE1-ND2 3.29Å; W349-C464 WeakPolarHBondContact CB-O 3.46Å; W349-C464 HydrophobicContact CG-CB 4.5Å; W349-C468 HydrophobicContact CB-CB 4.38Å; W349-C468 HydrophobicContact CD2-CB 4.33Å; W349-C468 HydrophobicContact CE3-CB 3.55Å; W349-C468 HydrophobicContact CZ3-CB 4.13Å
350F95.9Very high94Very high43 Ų4319 Ų1919%0.1899%0.091CC..Hα-helixtrans-57.8-53.1175.2177-94.8000111.6S346 N348 S352 A353 V354 L467 V470 G471S346-F350 WeakPolarHBondContact O-CB 3.37Å; S346-F350 PolarHBondContact O-N 2.91Å; N348-F350 PolarHBondContact O-N 3.48Å; F350-S352 VanDerWaalsContact C-N 3.34Å; F350-S352 PolarHBondContact O-N 2.82Å; F350-A353 PolarHBondContact O-N 3.24Å; F350-V354 HydrophobicContact CD1-CG2 4.24Å; F350-V354 HydrophobicContact CE1-CG2 3.83Å; F350-V354 HydrophobicContact CE2-CG2 4.15Å; F350-V354 HydrophobicContact CZ-CG2 3.77Å; F350-V354 WeakPolarHBondContact O-CG2 3.41Å; F350-V354 PolarHBondContact O-N 2.96Å; F350-L467 WeakPolarHBondContact CA-O 3.39Å; F350-L467 HydrophobicContact CB-CB 4.27Å; F350-V470 HydrophobicContact CD2-CG1 4.45Å; F350-V470 HydrophobicContact CE2-CG1 4.24Å; F350-G471 VanDerWaalsContact CD2-CA 3.49Å
351T96.1Very high93.9Very high0 Ų014.9 Ų14.90%07%0.073CC..Hα-helixtrans-61.3-43.4-178.6-620000111.6F347 N348 A353 V354 V355 L497 A501F347-T351 WeakPolarHBondContact CE1-OG1 3.25Å; F347-T351 VanDerWaalsContact O-CB 3.31Å; F347-T351 WeakPolarHBondContact O-CB 3.08Å; F347-T351 PolarHBondContact O-N 3.42Å; F347-T351 PolarHBondContact O-OG1 2.66Å; N348-T351 PolarHBondContact O-N 3.39Å; T351-A353 VanDerWaalsContact C-N 3.32Å; T351-A353 PolarHBondContact O-N 2.81Å; T351-V354 PolarHBondContact O-N 3Å; T351-V355 HydrophobicContact CG2-CG2 4.09Å; T351-V355 WeakPolarHBondContact O-CB 3.44Å; T351-V355 VanDerWaalsContact O-CG2 3.31Å; T351-V355 WeakPolarHBondContact O-CG2 3.48Å; T351-V355 PolarHBondContact O-N 2.61Å; T351-L497 HydrophobicContact CG2-CB 3.84Å; T351-A501 HydrophobicContact CG2-CB 3.85Å
352S95.1Very high93.8Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-62.7-42.6-179.2-49.20000110.4N348 W349 F350 Y356 T440N348-S352 VanDerWaalsContact O-CB 3.25Å; N348-S352 WeakPolarHBondContact O-CB 3.47Å; N348-S352 PolarHBondContact O-N 3.45Å; N348-S352 PolarHBondContact O-OG 2.99Å; W349-S352 PolarHBondContact O-N 2.93Å; F350-S352 VanDerWaalsContact C-N 3.34Å; F350-S352 PolarHBondContact O-N 2.82Å; S352-Y356 WeakPolarHBondContact O-CB 3.34Å; S352-Y356 PolarHBondContact O-N 2.99Å; S352-T440 WeakPolarHBondContact OG-CG2 3.09Å
353A94.4Very high93.6Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-63.3-47.6174.900000112.8W349 F350 T351 Q357 F441 C468W349-A353 WeakPolarHBondContact O-CB 3.32Å; W349-A353 PolarHBondContact O-N 2.97Å; F350-A353 PolarHBondContact O-N 3.24Å; T351-A353 VanDerWaalsContact C-N 3.32Å; T351-A353 PolarHBondContact O-N 2.81Å; A353-Q357 WeakPolarHBondContact O-CB 3.43Å; A353-Q357 PolarHBondContact O-N 3.26Å; A353-F441 HydrophobicContact CB-CE2 4.48Å; A353-C468 HydrophobicContact CB-CB 4.38Å; A353-C468 WeakPolarHBondContact CB-O 3.48Å; A353-C468 VanDerWaalsContact CB-SG 3.58Å
354V95.5Very high93Very high0 Ų010.9 Ų10.90%06%0.056CC..Hα-helixtrans-60.3-50.6-1791710000111.2F350 T351 G358 G471 L478 F494 L497F350-V354 HydrophobicContact CD1-CG2 4.24Å; F350-V354 HydrophobicContact CE1-CG2 3.83Å; F350-V354 HydrophobicContact CE2-CG2 4.15Å; F350-V354 HydrophobicContact CZ-CG2 3.77Å; F350-V354 WeakPolarHBondContact O-CG2 3.41Å; F350-V354 PolarHBondContact O-N 2.96Å; T351-V354 PolarHBondContact O-N 3Å; V354-G358 WeakPolarHBondContact O-CA 3.45Å; V354-G358 PolarHBondContact O-N 3.24Å; V354-G471 WeakPolarHBondContact CG2-O 3.5Å; V354-L478 HydrophobicContact CG1-CD1 3.82Å; V354-F494 HydrophobicContact CG1-CD1 3.91Å; V354-F494 HydrophobicContact CG1-CE1 3.73Å; V354-L497 HydrophobicContact CG1-CD1 4.09Å
355V95.9Very high92.1Very high0 Ų012.9 Ų12.90%07%0.066CC..Hα-helixtrans-73.2-41.2-176.7-179.70000110.8T351 L359 I437 F494T351-V355 HydrophobicContact CG2-CG2 4.09Å; T351-V355 WeakPolarHBondContact O-CB 3.44Å; T351-V355 VanDerWaalsContact O-CG2 3.31Å; T351-V355 WeakPolarHBondContact O-CG2 3.48Å; T351-V355 PolarHBondContact O-N 2.61Å; V355-L359 HydrophobicContact CG1-CD1 3.83Å; V355-L359 HydrophobicContact CG1-CG 4.19Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.19Å; V355-L359 WeakPolarHBondContact O-CG 3.34Å; V355-L359 PolarHBondContact O-N 3.36Å; V355-I437 HydrophobicContact CB-CD1 3.74Å; V355-I437 HydrophobicContact CB-CG1 3.84Å; V355-I437 HydrophobicContact CG1-CB 4.16Å; V355-I437 HydrophobicContact CG1-CD1 3.8Å; V355-I437 HydrophobicContact CG1-CG1 3.69Å; V355-I437 HydrophobicContact CG2-CD1 4.5Å; V355-F494 HydrophobicContact CG1-CB 4.24Å; V355-F494 HydrophobicContact CG2-CB 3.9Å; V355-F494 HydrophobicContact CG2-CD1 4.45Å; V355-F494 HydrophobicContact CG2-CG 4.31Å
356Y93.9Very high91.4Very high11 Ų1115.1 Ų15.14%0.0438%0.078CC..Hα-helixtrans-62.9-51179.1-178.6-92.4000111.7Y36 S352 I360 E381 R434 I437Y36-Y356 HydrophobicContact CD1-CE1 4.46Å; Y36-Y356 HydrophobicContact CE1-CD1 4.05Å; Y36-Y356 AromaticContact CE1-CE1 3.84Å; Y36-Y356 HydrophobicContact CE1-CE1 3.84Å; S352-Y356 WeakPolarHBondContact O-CB 3.34Å; S352-Y356 PolarHBondContact O-N 2.99Å; Y356-I360 HydrophobicContact CD1-CD1 3.77Å; Y356-I360 HydrophobicContact CE1-CD1 3.36Å; Y356-I360 WeakPolarHBondContact O-CD1 3.46Å; Y356-I360 WeakPolarHBondContact O-CG1 3.35Å; Y356-I360 PolarHBondContact O-N 3.3Å; Y356-E381 PolarHBondContact OH-OE1 3.42Å; Y356-R434 VanDerWaalsContact CD2-NH1 3.32Å; Y356-R434 VanDerWaalsContact CE2-CZ 3.49Å; Y356-R434 PolarHBondContact O-NH1 3.33Å; Y356-R434 PolarHBondContact OH-NH2 2.88Å; Y356-R434 VanDerWaalsContact OH-NH2 3.15Å; Y356-I437 HydrophobicContact CD2-CG2 4.33Å
357Q92.4Very high89.8Confident0 Ų019.1 Ų19.10%012%0.121CC..Hα-helixtrans-68.7-43.2179-174.566.97.700111.1Y36 Q149 A353 L359 I360 M361 A475Y36-Q357 PolarHBondContact OH-OE1 2.94Å; Q149-Q357 VanDerWaalsContact NE2-NE2 3.17Å; A353-Q357 WeakPolarHBondContact O-CB 3.43Å; A353-Q357 PolarHBondContact O-N 3.26Å; Q357-L359 PolarHBondContact O-N 3.36Å; Q357-I360 PolarHBondContact O-N 3.49Å; Q357-M361 HydrophobicContact CG-CG 4.31Å; Q357-M361 HydrophobicContact CG-SD 3.76Å; Q357-M361 WeakPolarHBondContact O-CG 3.34Å; Q357-M361 PolarHBondContact O-N 3.4Å; Q357-A475 HydrophobicContact CB-CB 4.05Å; Q357-A475 HydrophobicContact CG-CB 4.18Å
358G92.4Very high88.9Confident0 Ų018.5 Ų18.50%013%0.13CC..Hα-helixtrans-60.6-42179.400000112.9V354 M361 R362V354-G358 WeakPolarHBondContact O-CA 3.45Å; V354-G358 PolarHBondContact O-N 3.24Å; G358-M361 PolarHBondContact O-N 2.8Å; G358-R362 WeakPolarHBondContact O-CB 3.22Å; G358-R362 PolarHBondContact O-N 2.91Å
359L92.3Very high88.4Confident20 Ų2022.8 Ų22.811%0.10515%0.153CC..Hα-helixtrans-67-34.9176-72.8177.7000112.8V355 Q357 I437 L491 F494V355-L359 HydrophobicContact CG1-CD1 3.83Å; V355-L359 HydrophobicContact CG1-CG 4.19Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.19Å; V355-L359 WeakPolarHBondContact O-CG 3.34Å; V355-L359 PolarHBondContact O-N 3.36Å; Q357-L359 PolarHBondContact O-N 3.36Å; L359-I437 HydrophobicContact CD1-CG2 4Å; L359-L491 HydrophobicContact CD2-CD2 3.72Å; L359-F494 HydrophobicContact CD2-CD2 4.46Å
360I90.8Very high88Confident2 Ų222.6 Ų22.61%0.0115%0.154CC..Hα-helixtrans-65.8-51.3173.7-73.3157.2000110.6V37 V40 Y356 Q357 R362 L363 F374 R434V37-I360 HydrophobicContact CB-CG2 4.02Å; V37-I360 HydrophobicContact CG1-CD1 3.56Å; V37-I360 HydrophobicContact CG1-CG1 4.39Å; V37-I360 HydrophobicContact CG1-CG2 3.79Å; V40-I360 HydrophobicContact CG2-CG2 3.9Å; Y356-I360 HydrophobicContact CD1-CD1 3.77Å; Y356-I360 HydrophobicContact CE1-CD1 3.36Å; Y356-I360 WeakPolarHBondContact O-CD1 3.46Å; Y356-I360 WeakPolarHBondContact O-CG1 3.35Å; Y356-I360 PolarHBondContact O-N 3.3Å; Q357-I360 PolarHBondContact O-N 3.49Å; I360-R362 PolarHBondContact O-N 2.91Å; I360-L363 VanDerWaalsContact O-CB 3.29Å; I360-L363 WeakPolarHBondContact O-CB 3.49Å; I360-L363 PolarHBondContact O-N 3.4Å; I360-F374 HydrophobicContact CG2-CE2 3.75Å; I360-F374 HydrophobicContact CG2-CZ 4.33Å; I360-R434 VanDerWaalsContact CG1-CZ 3.41Å; I360-R434 VanDerWaalsContact CG1-NH1 3.35Å
361M90.1Very high87.7Confident0 Ų022.4 Ų22.40%015%0.152CC..Hα-helixtrans-65.8-27.8-176.3-65.4179.889.100111.4I39 Q149 Q357 G358 L363 G364 P476 L479 Y480I39-M361 HydrophobicContact CD1-CE 3.84Å; I39-M361 HydrophobicContact CG2-CE 3.87Å; Q149-M361 HydrophobicContact CB-CE 4.05Å; Q149-M361 HydrophobicContact CG-CE 3.97Å; Q149-M361 HydrophobicContact CG-SD 4.25Å; Q357-M361 HydrophobicContact CG-CG 4.31Å; Q357-M361 HydrophobicContact CG-SD 3.76Å; Q357-M361 WeakPolarHBondContact O-CG 3.34Å; Q357-M361 PolarHBondContact O-N 3.4Å; G358-M361 PolarHBondContact O-N 2.8Å; M361-L363 PolarHBondContact O-N 3.46Å; M361-G364 PolarHBondContact O-N 3.42Å; M361-P476 HydrophobicContact CE-CB 3.97Å; M361-P476 HydrophobicContact CE-CG 4.1Å; M361-P476 HydrophobicContact SD-CB 4.17Å; M361-P476 HydrophobicContact SD-CG 3.93Å; M361-L479 VanDerWaalsContact C-CD2 3.42Å; M361-L479 HydrophobicContact CB-CD2 3.34Å; M361-Y480 HydrophobicContact CE-CE2 3.58Å
362R89.4Confident87.3Confident13 Ų1326.6 Ų26.65%0.04917%0.174CC..Hα-helixtrans-60.3-28.8172.8-174.7170173.7-106.2-1.1112.9G358 I360 G364 I365 L366 L479 E488 L491G358-R362 WeakPolarHBondContact O-CB 3.22Å; G358-R362 PolarHBondContact O-N 2.91Å; I360-R362 PolarHBondContact O-N 2.91Å; R362-G364 PolarHBondContact O-N 3.24Å; R362-I365 HydrophobicContact CG-CD1 4.3Å; R362-I365 HydrophobicContact CG-CG1 4.28Å; R362-I365 WeakPolarHBondContact O-CG1 3.35Å; R362-I365 PolarHBondContact O-N 3.49Å; R362-L366 HydrophobicContact CG-CD1 4.45Å; R362-L366 PolarHBondContact O-N 3.4Å; R362-L479 HydrophobicContact CB-CD1 3.98Å; R362-L479 HydrophobicContact CB-CD2 4.39Å; R362-L479 HydrophobicContact CG-CD1 4.46Å; R362-E488 IonicContact CZ-OE2 3.86Å; R362-E488 IonicContact NE-OE2 2.98Å; R362-E488 VanDerWaalsContact NH2-CD 3.34Å; R362-E488 IonicContact NH2-OE1 2.66Å; R362-E488 PolarHBondContact NH2-OE1 2.88Å; R362-E488 IonicContact NH2-OE2 2.72Å; R362-E488 PolarHBondContact NH2-OE2 3.47Å; R362-L491 VanDerWaalsContact CZ-CD1 3.47Å
363L86.8Confident87Confident24 Ų2427.4 Ų27.413%0.12618%0.179CC..Hα-helixtrans-64.4-26.1175.3-56.9176.6000112.4I360 M361 L366 D373 F374I360-L363 VanDerWaalsContact O-CB 3.29Å; I360-L363 WeakPolarHBondContact O-CB 3.49Å; I360-L363 PolarHBondContact O-N 3.4Å; M361-L363 PolarHBondContact O-N 3.46Å; L363-L366 HydrophobicContact CD2-CD1 4.15Å; L363-D373 HydrophobicContact CD2-CB 4.33Å; L363-F374 HydrophobicContact CD1-CD2 4.09Å
364G80.8Confident86.8Confident20 Ų2027.5 Ų27.521%0.20618%0.179CC..Hα-helixtrans-77.7-19.817800000114.7M361 R362M361-G364 PolarHBondContact O-N 3.42Å; R362-G364 PolarHBondContact O-N 3.24Å
365I77.6Confident86.6Confident51 Ų5131 Ų3126%0.26220%0.197SC..Hα-helixtrans-100.6-9.517962.5174.6000113.1R362 G367 L479 Y480 A483 L487R362-I365 HydrophobicContact CG-CD1 4.3Å; R362-I365 HydrophobicContact CG-CG1 4.28Å; R362-I365 WeakPolarHBondContact O-CG1 3.35Å; R362-I365 PolarHBondContact O-N 3.49Å; I365-G367 PolarHBondContact O-N 2.71Å; I365-L479 HydrophobicContact CD1-CD1 4.37Å; I365-L479 HydrophobicContact CD1-CG 4.47Å; I365-Y480 HydrophobicContact CG2-CD1 3.88Å; I365-Y480 HydrophobicContact CG2-CE1 3.41Å; I365-Y480 VanDerWaalsContact CG2-CE1 3.41Å; I365-A483 HydrophobicContact CD1-CB 4Å; I365-L487 HydrophobicContact CD1-CD1 3.83Å; I365-L487 HydrophobicContact CG1-CD1 4.41Å
366L77.5Confident86.2Confident47 Ų4733 Ų3325%0.24621%0.207CC..SBendtrans-71.4125.6173.1-81.5157.1000108.2R362 L363 G368R362-L366 HydrophobicContact CG-CD1 4.45Å; R362-L366 PolarHBondContact O-N 3.4Å; L363-L366 HydrophobicContact CD2-CD1 4.15Å; L366-G368 PolarHBondContact O-N 3.25Å
367G62.9Low86Confident95 Ų9533 Ų3398%0.97921%0.209SC*.SBendtrans-69.924.9179.900000115.2I365I365-G367 PolarHBondContact O-N 2.71Å
368G75.8Confident85.9Confident44 Ų4433 Ų3345%0.45421%0.209SC..SBendtrans-99.3-163.9178.800000113L366 V370L366-G368 PolarHBondContact O-N 3.25Å; G368-V370 PolarHBondContact O-N 3.15Å; G368-V370 VanDerWaalsContact O-N 3.14Å
369N85.9Confident85.8Confident89 Ų8937.2 Ų37.248%0.47623%0.231SC..  trans-82.494174.1-172-31.7000110Y371 I372 D373N369-Y371 PolarHBondContact O-N 3.16Å; N369-Y371 VanDerWaalsContact O-N 3.07Å; N369-Y371 WeakPolarHBondContact OD1-CB 3.49Å; N369-Y371 WeakPolarHBondContact OD1-CD2 3.26Å; N369-Y371 PolarHBondContact OD1-N 3.01Å; N369-Y371 VanDerWaalsContact OD1-N 3.11Å; N369-I372 HydrophobicContact CB-CB 4.36Å; N369-I372 HydrophobicContact CB-CG1 4.31Å; N369-I372 PolarHBondContact O-N 3.5Å; N369-I372 PolarHBondContact OD1-N 3.43Å; N369-D373 PolarHBondContact O-N 2.86Å
370V87.3Confident85.7Confident16 Ų1637.2 Ų37.210%0.09723%0.232CC..Hα-helixtrans-50.5-35.9-179.3-177.20000112.3V40 F41 G368 F374V40-V370 HydrophobicContact CG1-CG1 3.72Å; F41-V370 HydrophobicContact CE1-CG1 4.03Å; G368-V370 PolarHBondContact O-N 3.15Å; G368-V370 VanDerWaalsContact O-N 3.14Å; V370-F374 WeakPolarHBondContact O-CB 3.21Å; V370-F374 PolarHBondContact O-N 3.42Å
371Y89.3Confident85.7Confident38 Ų3837.2 Ų37.215%0.14923%0.232CC..Hα-helixtrans-65.9-44.3-179.7-57.8-77000112.6F41 R128 P249 A252 Y253 N369 L375F41-Y371 HydrophobicContact CD1-CD1 4.26Å; F41-Y371 AromaticContact CD1-CE1 3.91Å; F41-Y371 HydrophobicContact CD1-CE1 3.91Å; F41-Y371 AromaticContact CE1-CD1 3.67Å; F41-Y371 HydrophobicContact CE1-CD1 3.67Å; F41-Y371 AromaticContact CE1-CE1 3.8Å; F41-Y371 HydrophobicContact CE1-CE1 3.8Å; R128-Y371 WeakPolarHBondContact CD-OH 3.44Å; P249-Y371 HydrophobicContact CB-CD1 4.32Å; P249-Y371 WeakPolarHBondContact O-CD1 3.29Å; A252-Y371 VanDerWaalsContact C-CE1 3.43Å; A252-Y371 HydrophobicContact CB-CE1 3.88Å; A252-Y371 WeakPolarHBondContact O-CE1 3.49Å; A252-Y371 PolarHBondContact O-OH 3.37Å; Y253-Y371 HydrophobicContact CD2-CD2 4.22Å; Y253-Y371 HydrophobicContact CD2-CE2 4.27Å; Y253-Y371 HydrophobicContact CD2-CG 4.38Å; N369-Y371 PolarHBondContact O-N 3.16Å; N369-Y371 VanDerWaalsContact O-N 3.07Å; N369-Y371 WeakPolarHBondContact OD1-CB 3.49Å; N369-Y371 WeakPolarHBondContact OD1-CD2 3.26Å; N369-Y371 PolarHBondContact OD1-N 3.01Å; N369-Y371 VanDerWaalsContact OD1-N 3.11Å; Y371-L375 VanDerWaalsContact O-CB 3.32Å; Y371-L375 WeakPolarHBondContact O-CB 3.37Å; Y371-L375 PolarHBondContact O-N 2.92Å
372I88.3Confident85.7Confident88 Ų8839.3 Ų39.345%0.45124%0.241SC..Hα-helixtrans-72-44.6179.6-62.6-61.9000110.3N369 F374 L375 I376N369-I372 HydrophobicContact CB-CB 4.36Å; N369-I372 HydrophobicContact CB-CG1 4.31Å; N369-I372 PolarHBondContact O-N 3.5Å; N369-I372 PolarHBondContact OD1-N 3.43Å; I372-F374 VanDerWaalsContact C-N 3.27Å; I372-F374 PolarHBondContact O-N 3.27Å; I372-L375 PolarHBondContact O-N 3.44Å; I372-I376 HydrophobicContact CG2-CD1 3.78Å; I372-I376 HydrophobicContact CG2-CG1 4.33Å; I372-I376 VanDerWaalsContact O-CG1 3.31Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 3.49Å
373D87.9Confident85.8Confident18 Ų1841.5 Ų41.510%0.09626%0.257CS..Hα-helixtrans-61.6-39.7179.8-67.5-25000111.2L363 N369 S377L363-D373 HydrophobicContact CD2-CB 4.33Å; N369-D373 PolarHBondContact O-N 2.86Å; D373-S377 WeakPolarHBondContact O-CB 3.49Å; D373-S377 PolarHBondContact O-N 3.45Å
374F89.8Confident85.9Confident2 Ų240.3 Ų40.31%0.00925%0.251CS..Hα-helixtrans-69.1-39.5175.1-157.2-85.1000112.8V37 V40 F41 I245 L248 P249 I360 L363 V370 I372 S377 G378V37-F374 HydrophobicContact CB-CE2 4.48Å; V37-F374 HydrophobicContact CB-CZ 3.9Å; V37-F374 HydrophobicContact CG2-CE1 4.41Å; V37-F374 HydrophobicContact CG2-CZ 3.71Å; V40-F374 HydrophobicContact CB-CE2 4.17Å; V40-F374 HydrophobicContact CG1-CD2 4.13Å; V40-F374 HydrophobicContact CG1-CE2 4.25Å; V40-F374 HydrophobicContact CG2-CE2 4.13Å; F41-F374 HydrophobicContact CE2-CD1 4.05Å; F41-F374 HydrophobicContact CE2-CD2 4.07Å; F41-F374 HydrophobicContact CE2-CE1 4.05Å; F41-F374 HydrophobicContact CE2-CE2 4.08Å; F41-F374 HydrophobicContact CE2-CG 4.04Å; F41-F374 HydrophobicContact CE2-CZ 4.07Å; F41-F374 HydrophobicContact CZ-CB 3.98Å; F41-F374 HydrophobicContact CZ-CD1 4.06Å; F41-F374 HydrophobicContact CZ-CD2 4.04Å; F41-F374 AromaticContact CZ-CG 3.77Å; F41-F374 HydrophobicContact CZ-CG 3.77Å; I245-F374 HydrophobicContact CB-CE1 4.5Å; I245-F374 HydrophobicContact CG2-CD1 4.2Å; I245-F374 HydrophobicContact CG2-CE1 3.54Å; I245-F374 HydrophobicContact CG2-CZ 4.23Å; I245-F374 WeakPolarHBondContact O-CE1 3.23Å; L248-F374 HydrophobicContact CD2-CE1 4.3Å; L248-F374 HydrophobicContact CD2-CZ 4.23Å; P249-F374 HydrophobicContact CB-CD1 4.38Å; P249-F374 HydrophobicContact CG-CD1 4.02Å; I360-F374 HydrophobicContact CG2-CE2 3.75Å; I360-F374 HydrophobicContact CG2-CZ 4.33Å; L363-F374 HydrophobicContact CD1-CD2 4.09Å; V370-F374 WeakPolarHBondContact O-CB 3.21Å; V370-F374 PolarHBondContact O-N 3.42Å; I372-F374 VanDerWaalsContact C-N 3.27Å; I372-F374 PolarHBondContact O-N 3.27Å; F374-S377 WeakPolarHBondContact O-CB 3.28Å; F374-S377 PolarHBondContact O-N 2.97Å; F374-G378 PolarHBondContact O-N 3.05Å
375L90.8Very high86.1Confident72 Ų7239.4 Ų39.438%0.37724%0.241SC..Hα-helixtrans-63.9-44.6175.9-173152.3000111.4Y371 I372 S377 G378 L379Y371-L375 VanDerWaalsContact O-CB 3.32Å; Y371-L375 WeakPolarHBondContact O-CB 3.37Å; Y371-L375 PolarHBondContact O-N 2.92Å; I372-L375 PolarHBondContact O-N 3.44Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 3.42Å; L375-G378 PolarHBondContact O-N 3.37Å; L375-L379 HydrophobicContact CD2-CD1 3.62Å; L375-L379 HydrophobicContact CD2-CG 4.15Å; L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.32Å
376I89.3Confident86.6Confident42 Ų4243 Ų4322%0.21526%0.255CS..Hα-helixtrans-59.7-46.3174.6-67.5168.9000109.9I372 G378 L379 V380 T427 C431I372-I376 HydrophobicContact CG2-CD1 3.78Å; I372-I376 HydrophobicContact CG2-CG1 4.33Å; I372-I376 VanDerWaalsContact O-CG1 3.31Å; I372-I376 WeakPolarHBondContact O-CG1 3.29Å; I372-I376 PolarHBondContact O-N 3.49Å; I376-G378 PolarHBondContact O-N 2.91Å; I376-L379 PolarHBondContact O-N 3.13Å; I376-V380 WeakPolarHBondContact O-CG2 3.48Å; I376-V380 PolarHBondContact O-N 2.67Å; I376-T427 HydrophobicContact CG2-CG2 4.45Å; I376-C431 VanDerWaalsContact CG2-SG 3.59Å
377S88.4Confident87.1Confident12 Ų1244.1 Ų44.18%0.08426%0.261CS..Hα-helixtrans-60-42.8177.1-176.10000112.8D373 F374 L375 V380 R434D373-S377 WeakPolarHBondContact O-CB 3.49Å; D373-S377 PolarHBondContact O-N 3.45Å; F374-S377 WeakPolarHBondContact O-CB 3.28Å; F374-S377 PolarHBondContact O-N 2.97Å; L375-S377 VanDerWaalsContact C-N 3.33Å; L375-S377 PolarHBondContact O-N 3.42Å; S377-V380 WeakPolarHBondContact O-CB 3.29Å; S377-V380 PolarHBondContact O-N 3.31Å; S377-R434 PolarHBondContact OG-NE 3.39Å
378G89.7Confident88.2Confident0 Ų039.6 Ų39.60%022%0.215CC..Hα-helixtrans-66.7-35.6177.100000113.3F374 L375 I376 V380 E381F374-G378 PolarHBondContact O-N 3.05Å; L375-G378 PolarHBondContact O-N 3.37Å; I376-G378 PolarHBondContact O-N 2.91Å; G378-V380 PolarHBondContact O-N 3.34Å; G378-E381 PolarHBondContact O-N 3.04Å
379L91.5Very high88.5Confident88 Ų8840.4 Ų40.446%0.46121%0.208SC..Hα-helixtrans-64.4-30176.9-76.7175.4000112.6L246 L375 I376 E381 F382 P383L246-L379 HydrophobicContact CD1-CD2 4.13Å; L246-L379 HydrophobicContact CD2-CD2 4.04Å; L246-L379 HydrophobicContact CD2-CG 3.97Å; L375-L379 HydrophobicContact CD2-CD1 3.62Å; L375-L379 HydrophobicContact CD2-CG 4.15Å; L375-L379 WeakPolarHBondContact O-CG 3.28Å; L375-L379 PolarHBondContact O-N 3.32Å; I376-L379 PolarHBondContact O-N 3.13Å; L379-E381 PolarHBondContact O-N 3.03Å; L379-F382 PolarHBondContact O-N 3.06Å; L379-P383 WeakPolarHBondContact O-CD 3.22Å
380V90.8Very high88.5Confident20 Ų2041.3 Ų41.312%0.12121%0.208CC..THydrogen-bonded Turntrans-68.3-20.1-179.6171.40000112.9I376 S377 G378 P383 A384 C431 R434 L435I376-V380 WeakPolarHBondContact O-CG2 3.48Å; I376-V380 PolarHBondContact O-N 2.67Å; S377-V380 WeakPolarHBondContact O-CB 3.29Å; S377-V380 PolarHBondContact O-N 3.31Å; G378-V380 PolarHBondContact O-N 3.34Å; V380-P383 WeakPolarHBondContact O-CD 3.31Å; V380-A384 PolarHBondContact O-N 3.48Å; V380-C431 WeakPolarHBondContact CG1-O 3.36Å; V380-C431 HydrophobicContact CG2-CB 3.84Å; V380-R434 HydrophobicContact CG1-CB 4.19Å; V380-R434 HydrophobicContact CG1-CG 4.21Å; V380-L435 HydrophobicContact CG1-CB 3.55Å; V380-L435 HydrophobicContact CG1-CD1 4.38Å; V380-L435 HydrophobicContact CG1-CG 4.3Å
381E89.1Confident88.4Confident3 Ų341.5 Ų41.51%0.01421%0.209CC..Hα-helixtrans-69.9-32.5178.9-62.3-170.7-171.200113S242 I245 Y356 G378 L379 A384 A385 R434 T438S242-E381 VanDerWaalsContact CB-OE2 3.23Å; S242-E381 WeakPolarHBondContact CB-OE2 3.36Å; S242-E381 PolarHBondContact OG-OE2 2.89Å; I245-E381 VanDerWaalsContact CD1-OE1 3.26Å; I245-E381 WeakPolarHBondContact CD1-OE1 3.17Å; Y356-E381 PolarHBondContact OH-OE1 3.42Å; G378-E381 PolarHBondContact O-N 3.04Å; L379-E381 PolarHBondContact O-N 3.03Å; E381-A384 WeakPolarHBondContact O-CB 3.29Å; E381-A384 PolarHBondContact O-N 2.9Å; E381-A385 PolarHBondContact O-N 3.37Å; E381-A385 VanDerWaalsContact O-N 3.11Å; E381-R434 IonicContact OE1-CZ 3.88Å; E381-R434 IonicContact OE1-NH2 3.54Å; E381-R434 PolarHBondContact OE1-NH2 3.17Å; E381-T438 HydrophobicContact CB-CG2 4.27Å; E381-T438 HydrophobicContact CG-CG2 4.15Å
382F90.3Very high88.1Confident44 Ų4439.8 Ų39.819%0.19320%0.202CC..Hα-helixtrans-66.9-50.7179.4-60.1-93000112.3M239 V243 L246 L379 A384 A385 F386M239-F382 HydrophobicContact CE-CD1 4.43Å; V243-F382 HydrophobicContact CG2-CE1 3.91Å; V243-F382 HydrophobicContact CG2-CZ 3.77Å; L246-F382 HydrophobicContact CD1-CD2 4.45Å; L246-F382 HydrophobicContact CD1-CE2 3.4Å; L246-F382 VanDerWaalsContact CD1-CE2 3.4Å; L246-F382 HydrophobicContact CD1-CZ 3.76Å; L246-F382 HydrophobicContact CG-CE2 4.02Å; L379-F382 PolarHBondContact O-N 3.06Å; F382-A384 PolarHBondContact O-N 3.29Å; F382-A385 PolarHBondContact O-N 3.17Å; F382-F386 HydrophobicContact CB-CE2 4.31Å; F382-F386 WeakPolarHBondContact O-CD2 3.38Å; F382-F386 PolarHBondContact O-N 3.31Å; F382-F386 VanDerWaalsContact O-N 3.08Å
383P91.5Very high87.6Confident58 Ų5842.5 Ų42.538%0.37721%0.213SC..Hα-helixtrans-54.5-38.8171.8-26.534000113.3L379 V380 F386 L387 L435L379-P383 WeakPolarHBondContact O-CD 3.22Å; V380-P383 WeakPolarHBondContact O-CD 3.31Å; P383-F386 PolarHBondContact O-N 3.35Å; P383-L387 WeakPolarHBondContact O-CB 3.39Å; P383-L387 VanDerWaalsContact O-CG 3.23Å; P383-L387 WeakPolarHBondContact O-CG 3.45Å; P383-L387 PolarHBondContact O-N 3.03Å; P383-L435 HydrophobicContact CB-CD1 4.23Å
384A88.9Confident87.4Confident0 Ų049.5 Ų49.50%024%0.238CC..Hα-helixtrans-58.3-49.9177.100000111.4V380 E381 F382 F386 L387 I388 L435 T438 M439V380-A384 PolarHBondContact O-N 3.48Å; E381-A384 WeakPolarHBondContact O-CB 3.29Å; E381-A384 PolarHBondContact O-N 2.9Å; F382-A384 PolarHBondContact O-N 3.29Å; A384-F386 PolarHBondContact O-N 3.05Å; A384-L387 PolarHBondContact O-N 3.46Å; A384-I388 VanDerWaalsContact O-CG1 3.31Å; A384-I388 WeakPolarHBondContact O-CG1 3.47Å; A384-I388 PolarHBondContact O-N 2.83Å; A384-L435 HydrophobicContact CB-CG 4.14Å; A384-T438 HydrophobicContact CB-CG2 3.83Å; A384-M439 HydrophobicContact CB-CG 3.74Å
385A86.2Confident87.2Confident1 Ų153.6 Ų53.61%0.00826%0.259CS..Hα-helixtrans-63-39.5178.500000112.8V235 M239 E381 F382 I388 L389V235-A385 HydrophobicContact CG1-CB 4.27Å; M239-A385 HydrophobicContact CE-CB 3.65Å; M239-A385 HydrophobicContact CG-CB 4.09Å; E381-A385 PolarHBondContact O-N 3.37Å; E381-A385 VanDerWaalsContact O-N 3.11Å; F382-A385 PolarHBondContact O-N 3.17Å; A385-I388 WeakPolarHBondContact O-CB 3.48Å; A385-I388 PolarHBondContact O-N 3.32Å; A385-L389 WeakPolarHBondContact O-CG 3.31Å; A385-L389 PolarHBondContact O-N 2.73Å; A385-L389 VanDerWaalsContact O-N 3.13Å
386F87.4Confident86.9Confident125 Ų12550.1 Ų50.155%0.54824%0.241SC..Hα-helixtrans-66.1-40.7174.7-70.9-64.5000112.6M239 F382 P383 A384 I388 L389 F390M239-F386 HydrophobicContact CE-CD1 4.39Å; M239-F386 HydrophobicContact CE-CD2 4.19Å; M239-F386 HydrophobicContact CE-CE1 4.04Å; M239-F386 HydrophobicContact CE-CE2 3.8Å; M239-F386 HydrophobicContact CE-CG 4.46Å; M239-F386 HydrophobicContact CE-CZ 3.72Å; F382-F386 HydrophobicContact CB-CE2 4.31Å; F382-F386 WeakPolarHBondContact O-CD2 3.38Å; F382-F386 PolarHBondContact O-N 3.31Å; F382-F386 VanDerWaalsContact O-N 3.08Å; P383-F386 PolarHBondContact O-N 3.35Å; A384-F386 PolarHBondContact O-N 3.05Å; F386-I388 VanDerWaalsContact C-N 3.3Å; F386-I388 PolarHBondContact O-N 3.13Å; F386-L389 PolarHBondContact O-N 3.47Å; F386-F390 PolarHBondContact O-N 3.24Å
387L88.4Confident86.8Confident72 Ų7249.9 Ų49.938%0.37724%0.238SC..Hα-helixtrans-63.3-38176.2-74.8169.9000111.5P383 A384 F390 T391 L435 M439P383-L387 WeakPolarHBondContact O-CB 3.39Å; P383-L387 VanDerWaalsContact O-CG 3.23Å; P383-L387 WeakPolarHBondContact O-CG 3.45Å; P383-L387 PolarHBondContact O-N 3.03Å; A384-L387 PolarHBondContact O-N 3.46Å; L387-F390 PolarHBondContact O-N 2.66Å; L387-T391 VanDerWaalsContact O-CB 3.29Å; L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 WeakPolarHBondContact O-CG2 3.4Å; L387-T391 PolarHBondContact O-N 3.18Å; L387-T391 PolarHBondContact O-OG1 3.44Å; L387-L435 HydrophobicContact CD1-CD1 4.06Å; L387-L435 HydrophobicContact CD1-CD2 3.87Å; L387-L435 HydrophobicContact CD1-CG 4.43Å; L387-M439 HydrophobicContact CB-CE 3.99Å; L387-M439 HydrophobicContact CB-SD 3.95Å; L387-M439 HydrophobicContact CD1-SD 4.16Å
388I84.8Confident86.9Confident0 Ų053.8 Ų53.80%025%0.251CS..Hα-helixtrans-58.9-54.3173-73.9171.3000110.5A384 A385 F386 F390 T391 I392 M439 E442 M443A384-I388 VanDerWaalsContact O-CG1 3.31Å; A384-I388 WeakPolarHBondContact O-CG1 3.47Å; A384-I388 PolarHBondContact O-N 2.83Å; A385-I388 WeakPolarHBondContact O-CB 3.48Å; A385-I388 PolarHBondContact O-N 3.32Å; F386-I388 VanDerWaalsContact C-N 3.3Å; F386-I388 PolarHBondContact O-N 3.13Å; I388-F390 PolarHBondContact O-N 3.2Å; I388-T391 PolarHBondContact O-N 2.96Å; I388-T391 PolarHBondContact O-OG1 3.3Å; I388-I392 HydrophobicContact CG2-CD1 3.47Å; I388-I392 VanDerWaalsContact CG2-CD1 3.47Å; I388-I392 HydrophobicContact CG2-CG1 4.25Å; I388-I392 WeakPolarHBondContact O-CB 3.5Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 2.7Å; I388-M439 HydrophobicContact CD1-CB 4.14Å; I388-M439 HydrophobicContact CD1-CG 4.14Å; I388-M439 HydrophobicContact CG1-CB 4.19Å; I388-M439 HydrophobicContact CG1-CE 4.01Å; I388-M439 HydrophobicContact CG1-CG 3.96Å; I388-E442 HydrophobicContact CD1-CB 3.5Å; I388-E442 HydrophobicContact CD1-CG 3.98Å; I388-E442 WeakPolarHBondContact CD1-OE2 3.23Å; I388-M443 HydrophobicContact CB-CE 4.11Å; I388-M443 HydrophobicContact CG1-CE 3.84Å; I388-M443 HydrophobicContact CG1-CG 4.4Å; I388-M443 HydrophobicContact CG2-CE 3.92Å; I388-M443 HydrophobicContact CG2-SD 4.45Å
389L83.6Confident87Confident60 Ų6058 Ų5831%0.31427%0.273SS..Hα-helixtrans-55.7-40.6-179.8-70.2174.7000111.8V235 A385 F386V235-L389 HydrophobicContact CB-CD2 4.38Å; V235-L389 HydrophobicContact CG1-CD1 4.23Å; V235-L389 HydrophobicContact CG1-CD2 4.3Å; V235-L389 HydrophobicContact CG1-CG 4.25Å; V235-L389 HydrophobicContact CG2-CD2 3.98Å; A385-L389 WeakPolarHBondContact O-CG 3.31Å; A385-L389 PolarHBondContact O-N 2.73Å; A385-L389 VanDerWaalsContact O-N 3.13Å; F386-L389 PolarHBondContact O-N 3.47Å
390F85.6Confident87.1Confident109 Ų10954 Ų5448%0.47825%0.252SS..Hα-helixtrans-73.1-40.4179.6-174.6-96.3000113.9F386 L387 I388F386-F390 PolarHBondContact O-N 3.24Å; L387-F390 PolarHBondContact O-N 2.66Å; I388-F390 PolarHBondContact O-N 3.2Å
391T85.8Confident87.2Confident19 Ų1953.1 Ų53.112%0.11725%0.247CC..Hα-helixtrans-79.1-35.6-17351.80000112.9L387 I388 E393 R394 I395L387-T391 VanDerWaalsContact O-CB 3.29Å; L387-T391 WeakPolarHBondContact O-CB 3.5Å; L387-T391 WeakPolarHBondContact O-CG2 3.4Å; L387-T391 PolarHBondContact O-N 3.18Å; L387-T391 PolarHBondContact O-OG1 3.44Å; I388-T391 PolarHBondContact O-N 2.96Å; I388-T391 PolarHBondContact O-OG1 3.3Å; T391-E393 VanDerWaalsContact C-N 3.34Å; T391-E393 PolarHBondContact O-N 3.39Å; T391-R394 PolarHBondContact O-N 3.37Å; T391-I395 HydrophobicContact CG2-CD1 4.04Å; T391-I395 WeakPolarHBondContact O-CB 3.45Å; T391-I395 PolarHBondContact O-N 3.48Å
392I81Confident87.5Confident2 Ų253 Ų531%0.0125%0.246CC..Hα-helixtrans-59.9-42.6-175.6-75.3-176.8000112.6I388 R397 M443 F446I388-I392 HydrophobicContact CG2-CD1 3.47Å; I388-I392 VanDerWaalsContact CG2-CD1 3.47Å; I388-I392 HydrophobicContact CG2-CG1 4.25Å; I388-I392 WeakPolarHBondContact O-CB 3.5Å; I388-I392 WeakPolarHBondContact O-CG1 3.24Å; I388-I392 PolarHBondContact O-N 2.7Å; I392-R397 PolarHBondContact O-NH1 3.49Å; I392-M443 HydrophobicContact CD1-CE 3.55Å; I392-M443 HydrophobicContact CD1-SD 3.5Å; I392-M443 WeakPolarHBondContact CD1-SD 3.31Å; I392-M443 HydrophobicContact CG1-CE 3.25Å; I392-M443 HydrophobicContact CG1-SD 3.7Å; I392-F446 HydrophobicContact CD1-CD2 4.47Å
393E78.8Confident87.7Confident146 Ų14654.5 Ų54.568%0.68226%0.259SS*.Hα-helixtrans-77.8-30.5-177.8-68-172.5171.800112.8T391 R512T391-E393 VanDerWaalsContact C-N 3.34Å; T391-E393 PolarHBondContact O-N 3.39Å; E393-R512 PolarHBondContact O-NE 3.24Å; E393-R512 VanDerWaalsContact O-NE 3.07Å; E393-R512 PolarHBondContact O-NH2 3.38Å
394R83.9Confident87.9Confident165 Ų16552.1 Ų52.162%0.62324%0.244SC*.Hα-helixtrans-95.4-38.1-172.5-68.8-173.9-178.2-158.63114.7T391 R512T391-R394 PolarHBondContact O-N 3.37Å; R394-R512 VanDerWaalsContact O-CZ 3.3Å; R394-R512 PolarHBondContact O-NH1 2.89Å; R394-R512 PolarHBondContact O-NH2 3.48Å
395I85.1Confident88.2Confident87 Ų8752.1 Ų52.145%0.44624%0.244SC..THydrogen-bonded Turntrans-105-37.2-171.9-55.6178.9000110.3T391 L399 P400T391-I395 HydrophobicContact CG2-CD1 4.04Å; T391-I395 WeakPolarHBondContact O-CB 3.45Å; T391-I395 PolarHBondContact O-N 3.48Å; I395-L399 HydrophobicContact CG2-CB 4.06Å; I395-L399 HydrophobicContact CG2-CD1 4.25Å; I395-P400 HydrophobicContact CB-CG 4.03Å; I395-P400 HydrophobicContact CG2-CG 4.03Å
396G85.3Confident88.7Confident0 Ų054.7 Ų54.70%026%0.257CS..  trans120.7-174.1-169.200000111P400G396-P400 WeakPolarHBondContact O-CD 3.47Å; G396-P400 VanDerWaalsContact O-CG 3.28Å; G396-P400 WeakPolarHBondContact O-CG 3.38Å
397R87.1Confident89.2Confident37 Ų3751.8 Ų51.814%0.1425%0.249CC..SBendtrans-100.6-36.3179.7-71.370.1164.9151.5-2.1111.4I392 F401 V447 E450 E510I392-R397 PolarHBondContact O-NH1 3.49Å; R397-F401 WeakPolarHBondContact O-CB 3.45Å; R397-F401 PolarHBondContact O-N 3.39Å; R397-V447 HydrophobicContact CB-CG2 3.91Å; R397-V447 HydrophobicContact CG-CG2 4.48Å; R397-E450 IonicContact NE-OE1 3.95Å; R397-E450 IonicContact NE-OE2 3.72Å; R397-E450 PolarHBondContact NE-OE2 3.39Å; R397-E450 IonicContact NH2-OE1 2.93Å; R397-E510 PolarHBondContact N-OE1 3.3Å; R397-E510 PolarHBondContact N-OE2 3Å
398R90.8Very high89.5Confident94 Ų9448.3 Ų48.336%0.35523%0.231SC..Hα-helixtrans-66.8-50.4-173.3179.4-174.1170.4-168.2-8.8112.5A402 L506 L508 E510R398-A402 WeakPolarHBondContact O-CB 3.34Å; R398-A402 PolarHBondContact O-N 2.87Å; R398-L506 PolarHBondContact NE-O 3.01Å; R398-L506 VanDerWaalsContact NE-O 3.12Å; R398-L506 PolarHBondContact NH2-O 3.06Å; R398-L508 WeakPolarHBondContact CD-O 3.38Å; R398-L508 PolarHBondContact NE-O 2.93Å; R398-L508 VanDerWaalsContact NE-O 3.12Å; R398-E510 VanDerWaalsContact CB-OE2 3.26Å; R398-E510 WeakPolarHBondContact CB-OE2 3.36Å; R398-E510 PolarHBondContact N-OE2 3.36Å; R398-E510 VanDerWaalsContact N-OE2 3.09Å
399L91.6Very high90.1Very high88 Ų8848.3 Ų48.346%0.46123%0.231SC..Hα-helixtrans-67-52.3-175.7-70.7174.4000112.2I395 F401 A402 T403 L506I395-L399 HydrophobicContact CG2-CB 4.06Å; I395-L399 HydrophobicContact CG2-CD1 4.25Å; L399-F401 PolarHBondContact O-N 3.49Å; L399-A402 PolarHBondContact O-N 3.39Å; L399-T403 WeakPolarHBondContact O-CG2 3.1Å; L399-T403 PolarHBondContact O-N 2.93Å; L399-T403 PolarHBondContact O-OG1 3.23Å; L399-L506 HydrophobicContact CD2-CD2 4.42Å
400P92.4Very high90.7Very high5 Ų546.9 Ų46.93%0.03223%0.228CC..Hα-helixtrans-56.5-40.9178.1-2838.8000112.6I395 G396 T403 A404 M443I395-P400 HydrophobicContact CB-CG 4.03Å; I395-P400 HydrophobicContact CG2-CG 4.03Å; G396-P400 WeakPolarHBondContact O-CD 3.47Å; G396-P400 VanDerWaalsContact O-CG 3.28Å; G396-P400 WeakPolarHBondContact O-CG 3.38Å; P400-T403 WeakPolarHBondContact CA-OG1 3.49Å; P400-T403 PolarHBondContact O-N 2.95Å; P400-T403 PolarHBondContact O-OG1 2.91Å; P400-A404 WeakPolarHBondContact O-CB 3.36Å; P400-A404 PolarHBondContact O-N 3.48Å; P400-M443 HydrophobicContact CB-CE 3.9Å
401F93.8Very high91.2Very high1 Ų142 Ų420%0.00421%0.208CC..Hα-helixtrans-64.8-45.2178.4-179.1-156.3000112.6N348 R397 L399 N405 T440 M443 V444 V447 V505 L508N348-F401 HydrophobicContact CB-CZ 3.96Å; N348-F401 WeakPolarHBondContact OD1-CZ 3.37Å; R397-F401 WeakPolarHBondContact O-CB 3.45Å; R397-F401 PolarHBondContact O-N 3.39Å; L399-F401 PolarHBondContact O-N 3.49Å; F401-N405 WeakPolarHBondContact CE2-ND2 3.49Å; F401-N405 PolarHBondContact O-N 2.93Å; F401-T440 HydrophobicContact CE2-CG2 4.08Å; F401-M443 HydrophobicContact CB-CB 4.1Å; F401-M443 HydrophobicContact CB-CG 4.48Å; F401-M443 HydrophobicContact CD2-CB 3.92Å; F401-M443 HydrophobicContact CG-CB 4.03Å; F401-V444 HydrophobicContact CD2-CG2 4.49Å; F401-V444 HydrophobicContact CE1-CG2 4.33Å; F401-V444 HydrophobicContact CE2-CG2 3.39Å; F401-V444 HydrophobicContact CZ-CB 4.36Å; F401-V444 HydrophobicContact CZ-CG2 3.29Å; F401-V447 HydrophobicContact CD1-CB 4.36Å; F401-V447 HydrophobicContact CD1-CG1 4.43Å; F401-V447 HydrophobicContact CD1-CG2 3.96Å; F401-V447 HydrophobicContact CE1-CB 4.41Å; F401-V447 HydrophobicContact CE1-CG1 4.41Å; F401-V447 HydrophobicContact CE1-CG2 4.48Å; F401-V505 HydrophobicContact CB-CG1 4.06Å; F401-V505 HydrophobicContact CD1-CB 4.24Å; F401-V505 HydrophobicContact CD1-CG1 3.32Å; F401-V505 HydrophobicContact CD1-CG2 3.78Å; F401-V505 HydrophobicContact CD2-CG2 4.31Å; F401-V505 HydrophobicContact CE1-CB 4.25Å; F401-V505 HydrophobicContact CE1-CG1 3.77Å; F401-V505 HydrophobicContact CE1-CG2 3.36Å; F401-V505 HydrophobicContact CE2-CG2 3.89Å; F401-V505 HydrophobicContact CG-CG1 3.74Å; F401-V505 HydrophobicContact CG-CG2 4.21Å; F401-V505 HydrophobicContact CZ-CG1 4.48Å; F401-V505 HydrophobicContact CZ-CG2 3.39Å; F401-L508 HydrophobicContact CE1-CD1 4.44Å
402A95.2Very high91.7Very high1 Ų141.3 Ų41.31%0.00820%0.203CC..Hα-helixtrans-65.9-44.8175.700000112.2R398 L399 A404 N405 I406 V505 L506R398-A402 WeakPolarHBondContact O-CB 3.34Å; R398-A402 PolarHBondContact O-N 2.87Å; L399-A402 PolarHBondContact O-N 3.39Å; A402-A404 PolarHBondContact O-N 3.31Å; A402-N405 PolarHBondContact O-N 3.28Å; A402-I406 WeakPolarHBondContact O-CG1 3.18Å; A402-I406 PolarHBondContact O-N 3.34Å; A402-V505 HydrophobicContact CB-CB 4.15Å; A402-V505 HydrophobicContact CB-CG1 3.89Å; A402-L506 HydrophobicContact CB-CD2 3.44Å; A402-L506 VanDerWaalsContact CB-CD2 3.44Å; A402-L506 HydrophobicContact CB-CG 3.81Å
403T95Very high92.3Very high75 Ų7543.9 Ų43.946%0.4621%0.214SC..Hα-helixtrans-65.7-38.6-179.153.20000112.1L399 P400 N405 I406 V407L399-T403 WeakPolarHBondContact O-CG2 3.1Å; L399-T403 PolarHBondContact O-N 2.93Å; L399-T403 PolarHBondContact O-OG1 3.23Å; P400-T403 WeakPolarHBondContact CA-OG1 3.49Å; P400-T403 PolarHBondContact O-N 2.95Å; P400-T403 PolarHBondContact O-OG1 2.91Å; T403-N405 VanDerWaalsContact C-N 3.35Å; T403-N405 PolarHBondContact O-N 3.49Å; T403-I406 PolarHBondContact O-N 3.28Å; T403-V407 WeakPolarHBondContact O-CB 3.16Å; T403-V407 WeakPolarHBondContact O-CG2 3.4Å; T403-V407 PolarHBondContact O-N 2.92Å
404A95.5Very high93.1Very high7 Ų741 Ų416%0.05820%0.203CC..Hα-helixtrans-61.8-43.5178.200000111.5P400 A402 V407 A408 M439P400-A404 WeakPolarHBondContact O-CB 3.36Å; P400-A404 PolarHBondContact O-N 3.48Å; A402-A404 PolarHBondContact O-N 3.31Å; A404-V407 PolarHBondContact O-N 2.92Å; A404-A408 VanDerWaalsContact O-CB 3.31Å; A404-A408 WeakPolarHBondContact O-CB 3.31Å; A404-A408 PolarHBondContact O-N 2.87Å; A404-M439 HydrophobicContact CB-CB 3.87Å
405N95.7Very high93.5Very high0 Ų033.3 Ų33.30%017%0.174CC..Hα-helixtrans-62.1-46.9173.7-96.8-40.4000113.1N348 F401 A402 T403 A408 G409 T440 G502N348-N405 PolarHBondContact OD1-ND2 3.45Å; F401-N405 WeakPolarHBondContact CE2-ND2 3.49Å; F401-N405 PolarHBondContact O-N 2.93Å; A402-N405 PolarHBondContact O-N 3.28Å; T403-N405 VanDerWaalsContact C-N 3.35Å; T403-N405 PolarHBondContact O-N 3.49Å; N405-A408 PolarHBondContact O-N 2.95Å; N405-G409 PolarHBondContact O-N 2.83Å; N405-T440 PolarHBondContact N-OG1 3.26Å; N405-T440 WeakPolarHBondContact OD1-CG2 3.48Å; N405-T440 PolarHBondContact OD1-OG1 2.95Å; N405-G502 VanDerWaalsContact CB-CA 3.48Å
406I96.8Very high93.8Very high56 Ų5629.5 Ų29.529%0.28716%0.155SC..Hα-helixtrans-64.5-42.7179.5-69.8167.5000110.7A402 T403 G409 A410 F499A402-I406 WeakPolarHBondContact O-CG1 3.18Å; A402-I406 PolarHBondContact O-N 3.34Å; T403-I406 PolarHBondContact O-N 3.28Å; I406-G409 PolarHBondContact O-N 3.31Å; I406-A410 VanDerWaalsContact O-CB 3.29Å; I406-A410 WeakPolarHBondContact O-CB 3.26Å; I406-A410 PolarHBondContact O-N 3.18Å; I406-F499 HydrophobicContact CG1-CD1 4.45Å; I406-F499 HydrophobicContact CG2-CD1 4.31Å; I406-F499 HydrophobicContact CG2-CE1 3.71Å; I406-F499 HydrophobicContact CG2-CZ 4.15Å
407V96.5Very high94Very high63 Ų6336.5 Ų36.538%0.38219%0.186SC..Hα-helixtrans-64-42.1176169.20000110.8T403 A404 G409 A410 S411 V432T403-V407 WeakPolarHBondContact O-CB 3.16Å; T403-V407 WeakPolarHBondContact O-CG2 3.4Å; T403-V407 PolarHBondContact O-N 2.92Å; A404-V407 PolarHBondContact O-N 2.92Å; V407-G409 VanDerWaalsContact C-N 3.35Å; V407-G409 PolarHBondContact O-N 3.29Å; V407-A410 PolarHBondContact O-N 3.43Å; V407-S411 VanDerWaalsContact O-CB 3.25Å; V407-S411 WeakPolarHBondContact O-CB 3.47Å; V407-S411 PolarHBondContact O-N 2.85Å; V407-S411 PolarHBondContact O-OG 2.9Å; V407-V432 HydrophobicContact CG1-CG1 3.59Å
408A96.5Very high94.1Very high0 Ų035.5 Ų35.50%018%0.184CC..Hα-helixtrans-58.9-47.4174.300000111.4A404 N405 S411 C412 I437A404-A408 VanDerWaalsContact O-CB 3.31Å; A404-A408 WeakPolarHBondContact O-CB 3.31Å; A404-A408 PolarHBondContact O-N 2.87Å; N405-A408 PolarHBondContact O-N 2.95Å; A408-S411 PolarHBondContact O-N 3.45Å; A408-C412 PolarHBondContact O-N 3.06Å; A408-C412 PolarHBondContact O-SG 3.2Å; A408-I437 HydrophobicContact CB-CB 4.16Å
409G96.6Very high93.9Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-65.5-44.7179.400000113.3N405 I406 V407 S411 C412 F413 F499N405-G409 PolarHBondContact O-N 2.83Å; I406-G409 PolarHBondContact O-N 3.31Å; V407-G409 VanDerWaalsContact C-N 3.35Å; V407-G409 PolarHBondContact O-N 3.29Å; G409-S411 VanDerWaalsContact C-N 3.33Å; G409-S411 PolarHBondContact O-N 3.49Å; G409-C412 PolarHBondContact O-N 2.89Å; G409-F413 WeakPolarHBondContact O-CD2 3.45Å; G409-F413 PolarHBondContact O-N 3.42Å; G409-F499 VanDerWaalsContact C-CE2 3.44Å
410A96.8Very high93.3Very high29 Ų2935 Ų3524%0.2419%0.191CC..Hα-helixtrans-61.8-42.9177.300000111.3I406 V407 C412 F413 I414 F499I406-A410 VanDerWaalsContact O-CB 3.29Å; I406-A410 WeakPolarHBondContact O-CB 3.26Å; I406-A410 PolarHBondContact O-N 3.18Å; V407-A410 PolarHBondContact O-N 3.43Å; A410-C412 VanDerWaalsContact C-N 3.34Å; A410-C412 PolarHBondContact O-N 3.28Å; A410-F413 PolarHBondContact O-N 3.07Å; A410-I414 WeakPolarHBondContact O-CB 3.08Å; A410-I414 WeakPolarHBondContact O-CD1 3.12Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.48Å; A410-F499 HydrophobicContact CB-CE2 3.92Å; A410-F499 HydrophobicContact CB-CZ 3.88Å
411S96Very high92.8Very high8 Ų845.3 Ų45.36%0.05623%0.229CC..Hα-helixtrans-63.9-39.1177.3-57.40000111.8V407 A408 G409 I414 T415 V429 G433V407-S411 VanDerWaalsContact O-CB 3.25Å; V407-S411 WeakPolarHBondContact O-CB 3.47Å; V407-S411 PolarHBondContact O-N 2.85Å; V407-S411 PolarHBondContact O-OG 2.9Å; A408-S411 PolarHBondContact O-N 3.45Å; G409-S411 VanDerWaalsContact C-N 3.33Å; G409-S411 PolarHBondContact O-N 3.49Å; S411-I414 PolarHBondContact O-N 2.89Å; S411-T415 VanDerWaalsContact O-CB 3.26Å; S411-T415 WeakPolarHBondContact O-CB 3.47Å; S411-T415 PolarHBondContact O-N 3.26Å; S411-T415 PolarHBondContact O-OG1 2.86Å; S411-V429 WeakPolarHBondContact CB-O 3.46Å; S411-G433 PolarHBondContact OG-N 3.35Å
412C94.8Very high92.4Very high3 Ų349.7 Ų49.72%0.0225%0.251CS..Hα-helixtrans-62.7-45.5174.7-67.30000111.6A408 G409 A410 T415 A416 L491A408-C412 PolarHBondContact O-N 3.06Å; A408-C412 PolarHBondContact O-SG 3.2Å; G409-C412 PolarHBondContact O-N 2.89Å; A410-C412 VanDerWaalsContact C-N 3.34Å; A410-C412 PolarHBondContact O-N 3.28Å; C412-T415 PolarHBondContact O-N 2.95Å; C412-A416 PolarHBondContact O-N 3.47Å; C412-A416 VanDerWaalsContact O-N 3.13Å; C412-L491 HydrophobicContact CB-CB 4.4Å; C412-L491 WeakPolarHBondContact CB-O 2.99Å
413F95.4Very high91.8Very high56 Ų5654.2 Ų54.225%0.24627%0.271CS..Hα-helixtrans-61.7-49.1175.4-70.5-43.1000112.4G409 A410 T415 A416 F417 I492 C496 F499G409-F413 WeakPolarHBondContact O-CD2 3.45Å; G409-F413 PolarHBondContact O-N 3.42Å; A410-F413 PolarHBondContact O-N 3.07Å; F413-T415 VanDerWaalsContact C-N 3.28Å; F413-T415 PolarHBondContact O-N 3.46Å; F413-A416 WeakPolarHBondContact O-CB 3.37Å; F413-A416 PolarHBondContact O-N 2.98Å; F413-A416 VanDerWaalsContact O-N 3.16Å; F413-F417 WeakPolarHBondContact O-CD2 3.45Å; F413-I492 HydrophobicContact CD1-CG2 4.36Å; F413-I492 HydrophobicContact CE1-CB 4.4Å; F413-I492 HydrophobicContact CE1-CG2 3.89Å; F413-I492 VanDerWaalsContact CE1-O 3.23Å; F413-I492 WeakPolarHBondContact CE1-O 3.24Å; F413-C496 HydrophobicContact CZ-CB 4.4Å; F413-C496 VanDerWaalsContact CZ-SG 3.59Å; F413-F499 AromaticContact CD2-CD2 3.87Å; F413-F499 HydrophobicContact CD2-CD2 3.87Å; F413-F499 AromaticContact CD2-CE2 3.55Å; F413-F499 HydrophobicContact CD2-CE2 3.55Å; F413-F499 AromaticContact CE2-CD2 3.35Å; F413-F499 HydrophobicContact CE2-CD2 3.35Å; F413-F499 AromaticContact CE2-CE2 3.51Å; F413-F499 HydrophobicContact CE2-CE2 3.51Å; F413-F499 HydrophobicContact CE2-CG 4.35Å; F413-F499 HydrophobicContact CZ-CD2 4.35Å
414I94.4Very high91.3Very high87 Ų8759.3 Ų59.345%0.44628%0.282SS..Hα-helixtrans-60-43.6-179.7-65.8164.3000109.9A410 S411 A416 F417 I418 V429A410-I414 WeakPolarHBondContact O-CB 3.08Å; A410-I414 WeakPolarHBondContact O-CD1 3.12Å; A410-I414 WeakPolarHBondContact O-CG1 3.39Å; A410-I414 PolarHBondContact O-N 3.48Å; S411-I414 PolarHBondContact O-N 2.89Å; I414-A416 VanDerWaalsContact C-N 3.27Å; I414-A416 PolarHBondContact O-N 3.47Å; I414-F417 PolarHBondContact O-N 3.37Å; I414-I418 HydrophobicContact CG2-CD1 3.84Å; I414-I418 HydrophobicContact CG2-CG1 4.38Å; I414-I418 WeakPolarHBondContact O-CG1 3.08Å; I414-I418 PolarHBondContact O-N 3.01Å; I414-V429 HydrophobicContact CB-CG1 3.97Å; I414-V429 HydrophobicContact CG2-CG1 3.84Å; I414-V429 HydrophobicContact CG2-CG2 4.35Å
415T91.9Very high91Very high3 Ų364 Ų642%0.01830%0.301CS..Hα-helixtrans-60-36.4178.7-57.90000112.4S411 C412 F413 F417 I418 K426 V429 A430 L491S411-T415 VanDerWaalsContact O-CB 3.26Å; S411-T415 WeakPolarHBondContact O-CB 3.47Å; S411-T415 PolarHBondContact O-N 3.26Å; S411-T415 PolarHBondContact O-OG1 2.86Å; C412-T415 PolarHBondContact O-N 2.95Å; F413-T415 VanDerWaalsContact C-N 3.28Å; F413-T415 PolarHBondContact O-N 3.46Å; T415-F417 PolarHBondContact O-N 2.93Å; T415-I418 PolarHBondContact O-N 3.44Å; T415-K426 HydrophobicContact CG2-CG 3.95Å; T415-V429 WeakPolarHBondContact OG1-CG1 3.43Å; T415-A430 HydrophobicContact CG2-CB 4.37Å; T415-L491 HydrophobicContact CG2-CD1 3.6Å
416A90.9Very high90.7Very high6 Ų664.8 Ų64.85%0.0530%0.304CS..Hα-helixtrans-65-25.6179.900000113.6C412 F413 I414 E488 L491 I492C412-A416 PolarHBondContact O-N 3.47Å; C412-A416 VanDerWaalsContact O-N 3.13Å; F413-A416 WeakPolarHBondContact O-CB 3.37Å; F413-A416 PolarHBondContact O-N 2.98Å; F413-A416 VanDerWaalsContact O-N 3.16Å; I414-A416 VanDerWaalsContact C-N 3.27Å; I414-A416 PolarHBondContact O-N 3.47Å; A416-E488 HydrophobicContact CB-CB 4.07Å; A416-L491 HydrophobicContact CB-CB 4.15Å; A416-L491 HydrophobicContact CB-CD1 4.18Å; A416-I492 HydrophobicContact CB-CG1 4.06Å
417F90.3Very high90.2Very high148 Ų14863.3 Ų63.365%0.64930%0.298SS*.Hα-helixtrans-101.5-2.4-179.3-62.2-72000113.8F413 I414 T415F413-F417 WeakPolarHBondContact O-CD2 3.45Å; I414-F417 PolarHBondContact O-N 3.37Å; T415-F417 PolarHBondContact O-N 2.93Å
418I89.8Confident90Very high16 Ų1664.4 Ų64.48%0.08231%0.305CS..SBendtrans-82.3123.7177.9-68.8164.7000109.8I414 T415 M422 F425 K426 V429I414-I418 HydrophobicContact CG2-CD1 3.84Å; I414-I418 HydrophobicContact CG2-CG1 4.38Å; I414-I418 WeakPolarHBondContact O-CG1 3.08Å; I414-I418 PolarHBondContact O-N 3.01Å; T415-I418 PolarHBondContact O-N 3.44Å; I418-M422 HydrophobicContact CG2-CB 4.14Å; I418-F425 HydrophobicContact CD1-CD1 3.49Å; I418-F425 VanDerWaalsContact CD1-CD1 3.49Å; I418-F425 HydrophobicContact CD1-CE1 3.43Å; I418-F425 VanDerWaalsContact CD1-CE1 3.43Å; I418-F425 HydrophobicContact CD1-CZ 4.46Å; I418-F425 HydrophobicContact CG1-CD1 3.97Å; I418-F425 HydrophobicContact CG1-CE1 3.91Å; I418-F425 HydrophobicContact CG2-CD1 4.16Å; I418-K426 HydrophobicContact CB-CB 4.4Å; I418-K426 HydrophobicContact CB-CG 4.3Å; I418-K426 HydrophobicContact CG2-CB 3.74Å; I418-K426 HydrophobicContact CG2-CD 4.36Å; I418-K426 HydrophobicContact CG2-CG 4.13Å; I418-V429 HydrophobicContact CD1-CB 4.24Å; I418-V429 HydrophobicContact CD1-CG2 3.97Å
419P85.3Confident89.8Confident56 Ų5665.2 Ų65.236%0.36431%0.309SS..  trans-71.1148.117629.5-34.7000111.8R421 M422P419-R421 HydrophobicContact CB-CG 4.12Å; P419-R421 HydrophobicContact CG-CG 4.02Å; P419-R421 PolarHBondContact O-N 3.47Å; P419-M422 PolarHBondContact O-N 2.88Å
420D79.8Confident89.5Confident114 Ų11466.7 Ų66.761%0.6132%0.322SS*.G310 helixtrans-63-20.1-173.2-59.3-47.2000114.5M422 F423 K426D420-M422 PolarHBondContact O-N 3.03Å; D420-M422 VanDerWaalsContact O-N 3.13Å; D420-F423 PolarHBondContact O-N 3.46Å; D420-K426 IonicContact OD1-NZ 2.82Å; D420-K426 PolarHBondContact OD1-NZ 3.42Å
421R81.9Confident89.3Confident222 Ų22266.6 Ų66.684%0.83832%0.319SS*.G310 helixtrans-57.5-24.5172.169.4-172.7176.9-173-3.2113.6P419P419-R421 HydrophobicContact CB-CG 4.12Å; P419-R421 HydrophobicContact CG-CG 4.02Å; P419-R421 PolarHBondContact O-N 3.47Å
422M86.1Confident89.2Confident93 Ų9369.3 Ų69.346%0.45834%0.335SS..G310 helixtrans-102.452.5179-60.3-17367.100111.5I418 P419 D420 W424 F425 K426I418-M422 HydrophobicContact CG2-CB 4.14Å; P419-M422 PolarHBondContact O-N 2.88Å; D420-M422 PolarHBondContact O-N 3.03Å; D420-M422 VanDerWaalsContact O-N 3.13Å; M422-W424 PolarHBondContact O-N 3.41Å; M422-F425 HydrophobicContact CB-CB 4.15Å; M422-F425 HydrophobicContact CE-CB 4.14Å; M422-F425 HydrophobicContact CE-CD1 4.13Å; M422-F425 HydrophobicContact CE-CG 4.21Å; M422-F425 PolarHBondContact O-N 2.96Å; M422-F425 VanDerWaalsContact O-N 3.1Å; M422-K426 PolarHBondContact O-N 2.86Å
423F81.8Confident89.2Confident96 Ų9669.3 Ų69.342%0.42134%0.335SS..Hα-helixtrans-47-57.5-174.5178.4-99.4000113.5D420 F425 K426 T427D420-F423 PolarHBondContact O-N 3.46Å; F423-F425 VanDerWaalsContact C-N 3.28Å; F423-F425 PolarHBondContact O-N 2.92Å; F423-K426 WeakPolarHBondContact O-CB 3.39Å; F423-K426 PolarHBondContact O-N 2.88Å; F423-K426 VanDerWaalsContact O-N 3.13Å; F423-T427 PolarHBondContact O-N 2.75Å; F423-T427 PolarHBondContact O-OG1 3.48Å; F423-T427 VanDerWaalsContact O-OG1 3.05Å
424W85.3Confident89Confident183 Ų18367 Ų6769%0.69333%0.325SS*.Hα-helixtrans-59.5-37.7-177.9-75.5110.8000113.3M422 V428M422-W424 PolarHBondContact O-N 3.41Å; W424-V428 WeakPolarHBondContact O-CB 3.34Å; W424-V428 VanDerWaalsContact O-CG2 3.24Å; W424-V428 WeakPolarHBondContact O-CG2 3.34Å; W424-V428 PolarHBondContact O-N 3.33Å
425F89.4Confident89Confident106 Ų10664.8 Ų64.847%0.46531%0.314SS..Hα-helixtrans-68.4-44.8177.4-174.6-113000111.1I418 M422 F423 T427 V428 V429I418-F425 HydrophobicContact CD1-CD1 3.49Å; I418-F425 VanDerWaalsContact CD1-CD1 3.49Å; I418-F425 HydrophobicContact CD1-CE1 3.43Å; I418-F425 VanDerWaalsContact CD1-CE1 3.43Å; I418-F425 HydrophobicContact CD1-CZ 4.46Å; I418-F425 HydrophobicContact CG1-CD1 3.97Å; I418-F425 HydrophobicContact CG1-CE1 3.91Å; I418-F425 HydrophobicContact CG2-CD1 4.16Å; M422-F425 HydrophobicContact CB-CB 4.15Å; M422-F425 HydrophobicContact CE-CB 4.14Å; M422-F425 HydrophobicContact CE-CD1 4.13Å; M422-F425 HydrophobicContact CE-CG 4.21Å; M422-F425 PolarHBondContact O-N 2.96Å; M422-F425 VanDerWaalsContact O-N 3.1Å; F423-F425 VanDerWaalsContact C-N 3.28Å; F423-F425 PolarHBondContact O-N 2.92Å; F425-T427 VanDerWaalsContact C-N 3.33Å; F425-T427 PolarHBondContact O-N 2.65Å; F425-V428 PolarHBondContact O-N 3.01Å; F425-V429 HydrophobicContact CE1-CG2 4.34Å; F425-V429 HydrophobicContact CE2-CG2 4.27Å; F425-V429 HydrophobicContact CZ-CG2 4.13Å; F425-V429 WeakPolarHBondContact O-CG2 3.49Å; F425-V429 PolarHBondContact O-N 2.87Å
426K88.3Confident89.2Confident16 Ų1664.7 Ų64.77%0.0731%0.314CS..Hα-helixtrans-58.4-45.4175.2-165.9170.7178.6166.40111.2T415 I418 D420 M422 F423 V429 A430 E488T415-K426 HydrophobicContact CG2-CG 3.95Å; I418-K426 HydrophobicContact CB-CB 4.4Å; I418-K426 HydrophobicContact CB-CG 4.3Å; I418-K426 HydrophobicContact CG2-CB 3.74Å; I418-K426 HydrophobicContact CG2-CD 4.36Å; I418-K426 HydrophobicContact CG2-CG 4.13Å; D420-K426 IonicContact OD1-NZ 2.82Å; D420-K426 PolarHBondContact OD1-NZ 3.42Å; M422-K426 PolarHBondContact O-N 2.86Å; F423-K426 WeakPolarHBondContact O-CB 3.39Å; F423-K426 PolarHBondContact O-N 2.88Å; F423-K426 VanDerWaalsContact O-N 3.13Å; K426-V429 PolarHBondContact O-N 3.28Å; K426-A430 WeakPolarHBondContact O-CB 3.27Å; K426-A430 PolarHBondContact O-N 2.93Å; K426-E488 WeakPolarHBondContact CE-OE1 3.23Å; K426-E488 IonicContact NZ-OE1 3.12Å; K426-E488 PolarHBondContact NZ-OE1 3.12Å
427T87.4Confident89.4Confident25 Ų2564.4 Ų64.415%0.15331%0.311CS..Hα-helixtrans-64.4-44.3178.7-57.40000112I376 F423 F425 A430 C431I376-T427 HydrophobicContact CG2-CG2 4.45Å; F423-T427 PolarHBondContact O-N 2.75Å; F423-T427 PolarHBondContact O-OG1 3.48Å; F423-T427 VanDerWaalsContact O-OG1 3.05Å; F425-T427 VanDerWaalsContact C-N 3.33Å; F425-T427 PolarHBondContact O-N 2.65Å; T427-A430 PolarHBondContact O-N 3.23Å; T427-C431 WeakPolarHBondContact O-CB 3.18Å; T427-C431 PolarHBondContact O-N 3.49Å; T427-C431 PolarHBondContact O-SG 3.48Å
428V90.7Very high89.5Confident86 Ų8657.6 Ų57.652%0.52128%0.282SS..Hα-helixtrans-61.7-46.3177.5168.40000111.1W424 F425 A430 C431 V432W424-V428 WeakPolarHBondContact O-CB 3.34Å; W424-V428 VanDerWaalsContact O-CG2 3.24Å; W424-V428 WeakPolarHBondContact O-CG2 3.34Å; W424-V428 PolarHBondContact O-N 3.33Å; F425-V428 PolarHBondContact O-N 3.01Å; V428-A430 PolarHBondContact O-N 3.44Å; V428-C431 WeakPolarHBondContact O-CB 3.05Å; V428-C431 PolarHBondContact O-N 3.23Å; V428-V432 WeakPolarHBondContact O-CG2 3.47Å; V428-V432 PolarHBondContact O-N 2.89Å
429V93Very high89.6Confident16 Ų1657.6 Ų57.610%0.09728%0.281CS..Hα-helixtrans-64.1-42.2177.9178.80000110.9S411 I414 T415 I418 F425 K426 C431 V432 G433S411-V429 WeakPolarHBondContact CB-O 3.46Å; I414-V429 HydrophobicContact CB-CG1 3.97Å; I414-V429 HydrophobicContact CG2-CG1 3.84Å; I414-V429 HydrophobicContact CG2-CG2 4.35Å; T415-V429 WeakPolarHBondContact OG1-CG1 3.43Å; I418-V429 HydrophobicContact CD1-CB 4.24Å; I418-V429 HydrophobicContact CD1-CG2 3.97Å; F425-V429 HydrophobicContact CE1-CG2 4.34Å; F425-V429 HydrophobicContact CE2-CG2 4.27Å; F425-V429 HydrophobicContact CZ-CG2 4.13Å; F425-V429 WeakPolarHBondContact O-CG2 3.49Å; F425-V429 PolarHBondContact O-N 2.87Å; K426-V429 PolarHBondContact O-N 3.28Å; V429-C431 VanDerWaalsContact C-N 3.3Å; V429-C431 PolarHBondContact O-N 3.47Å; V429-V432 PolarHBondContact O-N 3.1Å; V429-G433 PolarHBondContact O-N 2.91Å
430A90.8Very high90Very high32 Ų3254.9 Ų54.926%0.26426%0.264SS..Hα-helixtrans-60.9-38.7174.800000112.1T415 K426 T427 V428 G433 R434T415-A430 HydrophobicContact CG2-CB 4.37Å; K426-A430 WeakPolarHBondContact O-CB 3.27Å; K426-A430 PolarHBondContact O-N 2.93Å; T427-A430 PolarHBondContact O-N 3.23Å; V428-A430 PolarHBondContact O-N 3.44Å; A430-G433 PolarHBondContact O-N 2.88Å; A430-R434 WeakPolarHBondContact O-CB 3.34Å; A430-R434 PolarHBondContact O-N 3.21Å
431C92.3Very high90.4Very high26 Ų2650.9 Ų50.918%0.17624%0.241CC..Hα-helixtrans-64.9-40.1174.6-700000112.1I376 V380 T427 V428 V429 G433 R434 L435I376-C431 VanDerWaalsContact CG2-SG 3.59Å; V380-C431 WeakPolarHBondContact CG1-O 3.36Å; V380-C431 HydrophobicContact CG2-CB 3.84Å; T427-C431 WeakPolarHBondContact O-CB 3.18Å; T427-C431 PolarHBondContact O-N 3.49Å; T427-C431 PolarHBondContact O-SG 3.48Å; V428-C431 WeakPolarHBondContact O-CB 3.05Å; V428-C431 PolarHBondContact O-N 3.23Å; V429-C431 VanDerWaalsContact C-N 3.3Å; V429-C431 PolarHBondContact O-N 3.47Å; C431-G433 VanDerWaalsContact C-N 3.28Å; C431-G433 PolarHBondContact O-N 2.93Å; C431-R434 WeakPolarHBondContact O-CB 3.41Å; C431-R434 PolarHBondContact O-N 3.43Å; C431-L435 WeakPolarHBondContact O-CB 3.18Å; C431-L435 PolarHBondContact O-N 3.23Å
432V94.6Very high90.7Very high66 Ų6640.3 Ų40.340%0.420%0.201SC..Hα-helixtrans-61.9-40.7173.4174.60000110.6V407 V428 V429 L435 G436V407-V432 HydrophobicContact CG1-CG1 3.59Å; V428-V432 WeakPolarHBondContact O-CG2 3.47Å; V428-V432 PolarHBondContact O-N 2.89Å; V429-V432 PolarHBondContact O-N 3.1Å; V432-L435 PolarHBondContact O-N 3.28Å; V432-G436 PolarHBondContact O-N 3.27Å
433G93.6Very high90.8Very high2 Ų235.9 Ų35.92%0.02118%0.18CC..Hα-helixtrans-61.8-44.317400000112.8S411 V429 A430 C431 G436 I437S411-G433 PolarHBondContact OG-N 3.35Å; V429-G433 PolarHBondContact O-N 2.91Å; A430-G433 PolarHBondContact O-N 2.88Å; C431-G433 VanDerWaalsContact C-N 3.28Å; C431-G433 PolarHBondContact O-N 2.93Å; G433-G436 PolarHBondContact O-N 3.24Å; G433-I437 PolarHBondContact O-N 3.1Å
434R92.6Very high91.3Very high8 Ų831.3 Ų31.33%0.0316%0.16CC..Hα-helixtrans-60.5-46.6176.2-17466.9-178.8156.98.2111.7Y356 I360 S377 V380 E381 A430 C431 G436 I437 T438Y356-R434 VanDerWaalsContact CD2-NH1 3.32Å; Y356-R434 VanDerWaalsContact CE2-CZ 3.49Å; Y356-R434 PolarHBondContact O-NH1 3.33Å; Y356-R434 PolarHBondContact OH-NH2 2.88Å; Y356-R434 VanDerWaalsContact OH-NH2 3.15Å; I360-R434 VanDerWaalsContact CG1-CZ 3.41Å; I360-R434 VanDerWaalsContact CG1-NH1 3.35Å; S377-R434 PolarHBondContact OG-NE 3.39Å; V380-R434 HydrophobicContact CG1-CB 4.19Å; V380-R434 HydrophobicContact CG1-CG 4.21Å; E381-R434 IonicContact OE1-CZ 3.88Å; E381-R434 IonicContact OE1-NH2 3.54Å; E381-R434 PolarHBondContact OE1-NH2 3.17Å; A430-R434 WeakPolarHBondContact O-CB 3.34Å; A430-R434 PolarHBondContact O-N 3.21Å; C431-R434 WeakPolarHBondContact O-CB 3.41Å; C431-R434 PolarHBondContact O-N 3.43Å; R434-G436 VanDerWaalsContact C-N 3.35Å; R434-G436 PolarHBondContact O-N 3.45Å; R434-I437 VanDerWaalsContact O-CG2 3.31Å; R434-I437 WeakPolarHBondContact O-CG2 3.39Å; R434-I437 PolarHBondContact O-N 3.22Å; R434-T438 WeakPolarHBondContact O-CB 3.49Å; R434-T438 PolarHBondContact O-N 3.32Å; R434-T438 PolarHBondContact O-OG1 3.47Å
435L94Very high91.2Very high41 Ų4124.5 Ų24.522%0.21514%0.138CC..Hα-helixtrans-57.6-49.1175.8-171.8151000110.8V380 P383 A384 L387 C431 V432 I437 T438 M439V380-L435 HydrophobicContact CG1-CB 3.55Å; V380-L435 HydrophobicContact CG1-CD1 4.38Å; V380-L435 HydrophobicContact CG1-CG 4.3Å; P383-L435 HydrophobicContact CB-CD1 4.23Å; A384-L435 HydrophobicContact CB-CG 4.14Å; L387-L435 HydrophobicContact CD1-CD1 4.06Å; L387-L435 HydrophobicContact CD1-CD2 3.87Å; L387-L435 HydrophobicContact CD1-CG 4.43Å; C431-L435 WeakPolarHBondContact O-CB 3.18Å; C431-L435 PolarHBondContact O-N 3.23Å; V432-L435 PolarHBondContact O-N 3.28Å; L435-I437 PolarHBondContact O-N 3.46Å; L435-T438 PolarHBondContact O-N 3.11Å; L435-M439 HydrophobicContact CD2-CG 4.14Å; L435-M439 HydrophobicContact CD2-SD 3.53Å; L435-M439 VanDerWaalsContact CD2-SD 3.53Å; L435-M439 WeakPolarHBondContact O-CG 3.14Å; L435-M439 PolarHBondContact O-N 2.78Å
436G94.8Very high90.9Very high1 Ų120.4 Ų20.41%0.0112%0.12CC..Hα-helixtrans-59.4-46.9179.500000112.5V432 G433 R434 M439 T440V432-G436 PolarHBondContact O-N 3.27Å; G433-G436 PolarHBondContact O-N 3.24Å; R434-G436 VanDerWaalsContact C-N 3.35Å; R434-G436 PolarHBondContact O-N 3.45Å; G436-M439 PolarHBondContact O-N 3.49Å; G436-T440 WeakPolarHBondContact O-CB 3.32Å; G436-T440 PolarHBondContact O-N 3.06Å; G436-T440 PolarHBondContact O-OG1 2.81Å
437I95.1Very high90.9Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-70.4-35.9-179-162.664.8000112.6V355 Y356 L359 A408 G433 R434 L435 M439 T440 F441V355-I437 HydrophobicContact CB-CD1 3.74Å; V355-I437 HydrophobicContact CB-CG1 3.84Å; V355-I437 HydrophobicContact CG1-CB 4.16Å; V355-I437 HydrophobicContact CG1-CD1 3.8Å; V355-I437 HydrophobicContact CG1-CG1 3.69Å; V355-I437 HydrophobicContact CG2-CD1 4.5Å; Y356-I437 HydrophobicContact CD2-CG2 4.33Å; L359-I437 HydrophobicContact CD1-CG2 4Å; A408-I437 HydrophobicContact CB-CB 4.16Å; G433-I437 PolarHBondContact O-N 3.1Å; R434-I437 VanDerWaalsContact O-CG2 3.31Å; R434-I437 WeakPolarHBondContact O-CG2 3.39Å; R434-I437 PolarHBondContact O-N 3.22Å; L435-I437 PolarHBondContact O-N 3.46Å; I437-M439 VanDerWaalsContact C-N 3.34Å; I437-T440 HydrophobicContact CD1-CG2 4.01Å; I437-T440 WeakPolarHBondContact O-CB 3.46Å; I437-T440 PolarHBondContact O-N 3.42Å; I437-F441 WeakPolarHBondContact O-CB 3.46Å; I437-F441 PolarHBondContact O-N 2.89Å
438T92.1Very high90.9Very high4 Ų418.8 Ų18.83%0.02511%0.111CC..Hα-helixtrans-61.5-46.6173.1-60.50000109.8E381 A384 R434 L435 T440 F441 E442E381-T438 HydrophobicContact CB-CG2 4.27Å; E381-T438 HydrophobicContact CG-CG2 4.15Å; A384-T438 HydrophobicContact CB-CG2 3.83Å; R434-T438 WeakPolarHBondContact O-CB 3.49Å; R434-T438 PolarHBondContact O-N 3.32Å; R434-T438 PolarHBondContact O-OG1 3.47Å; L435-T438 PolarHBondContact O-N 3.11Å; T438-T440 VanDerWaalsContact C-N 3.31Å; T438-T440 PolarHBondContact O-N 3.41Å; T438-F441 PolarHBondContact O-N 2.91Å; T438-E442 WeakPolarHBondContact O-CG 3.08Å; T438-E442 PolarHBondContact O-N 3.09Å; T438-E442 VanDerWaalsContact O-N 3.15Å
439M92Very high90.4Very high16 Ų1617 Ų178%0.07910%0.1CC..Hα-helixtrans-58.1-45176.4-74.2-174.265.700112.3A384 L387 I388 A404 L435 G436 I437 M443A384-M439 HydrophobicContact CB-CG 3.74Å; L387-M439 HydrophobicContact CB-CE 3.99Å; L387-M439 HydrophobicContact CB-SD 3.95Å; L387-M439 HydrophobicContact CD1-SD 4.16Å; I388-M439 HydrophobicContact CD1-CB 4.14Å; I388-M439 HydrophobicContact CD1-CG 4.14Å; I388-M439 HydrophobicContact CG1-CB 4.19Å; I388-M439 HydrophobicContact CG1-CE 4.01Å; I388-M439 HydrophobicContact CG1-CG 3.96Å; A404-M439 HydrophobicContact CB-CB 3.87Å; L435-M439 HydrophobicContact CD2-CG 4.14Å; L435-M439 HydrophobicContact CD2-SD 3.53Å; L435-M439 VanDerWaalsContact CD2-SD 3.53Å; L435-M439 WeakPolarHBondContact O-CG 3.14Å; L435-M439 PolarHBondContact O-N 2.78Å; G436-M439 PolarHBondContact O-N 3.49Å; I437-M439 VanDerWaalsContact C-N 3.34Å; M439-M443 VanDerWaalsContact O-CB 3.28Å; M439-M443 WeakPolarHBondContact O-CB 3.45Å; M439-M443 WeakPolarHBondContact O-CG 3.39Å; M439-M443 PolarHBondContact O-N 3.27Å
440T93.6Very high90Very high0 Ų017.6 Ų17.60%010%0.102CC..Hα-helixtrans-56.5-50.4174.7-81.50000111.8S352 F401 N405 G436 I437 T438 E442 M443 V444S352-T440 WeakPolarHBondContact OG-CG2 3.09Å; F401-T440 HydrophobicContact CE2-CG2 4.08Å; N405-T440 PolarHBondContact N-OG1 3.26Å; N405-T440 WeakPolarHBondContact OD1-CG2 3.48Å; N405-T440 PolarHBondContact OD1-OG1 2.95Å; G436-T440 WeakPolarHBondContact O-CB 3.32Å; G436-T440 PolarHBondContact O-N 3.06Å; G436-T440 PolarHBondContact O-OG1 2.81Å; I437-T440 HydrophobicContact CD1-CG2 4.01Å; I437-T440 WeakPolarHBondContact O-CB 3.46Å; I437-T440 PolarHBondContact O-N 3.42Å; T438-T440 VanDerWaalsContact C-N 3.31Å; T438-T440 PolarHBondContact O-N 3.41Å; T440-E442 VanDerWaalsContact C-N 3.33Å; T440-E442 PolarHBondContact O-N 3.33Å; T440-M443 PolarHBondContact O-N 2.97Å; T440-V444 HydrophobicContact CG2-CG2 4.42Å; T440-V444 VanDerWaalsContact O-CG2 3.28Å; T440-V444 WeakPolarHBondContact O-CG2 3.46Å; T440-V444 PolarHBondContact O-N 3.24Å
441F90.1Very high89.7Confident29 Ų2916.5 Ų16.513%0.1279%0.092CC..Hα-helixtrans-62.3-41.2-174-165.3-88.5000111.4W349 A353 I437 T438 C468W349-F441 HydrophobicContact CE3-CZ 4.5Å; W349-F441 HydrophobicContact CZ3-CE1 4.39Å; W349-F441 HydrophobicContact CZ3-CE2 4.43Å; W349-F441 HydrophobicContact CZ3-CZ 4Å; A353-F441 HydrophobicContact CB-CE2 4.48Å; I437-F441 WeakPolarHBondContact O-CB 3.46Å; I437-F441 PolarHBondContact O-N 2.89Å; T438-F441 PolarHBondContact O-N 2.91Å; F441-C468 VanDerWaalsContact CE2-SG 3.59Å; F441-C468 VanDerWaalsContact CZ-SG 3.59Å
442E87.8Confident89.3Confident1 Ų115.3 Ų15.31%0.0058%0.084CC..Hα-helixtrans-69.5-42.4174.8-58.5-161.7170.700112.6I388 T438 T440 V444 V445 F446I388-E442 HydrophobicContact CD1-CB 3.5Å; I388-E442 HydrophobicContact CD1-CG 3.98Å; I388-E442 WeakPolarHBondContact CD1-OE2 3.23Å; T438-E442 WeakPolarHBondContact O-CG 3.08Å; T438-E442 PolarHBondContact O-N 3.09Å; T438-E442 VanDerWaalsContact O-N 3.15Å; T440-E442 VanDerWaalsContact C-N 3.33Å; T440-E442 PolarHBondContact O-N 3.33Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 2.74Å; E442-V445 WeakPolarHBondContact O-CB 3.43Å; E442-V445 PolarHBondContact O-N 3.49Å; E442-F446 VanDerWaalsContact O-CD2 3.29Å; E442-F446 WeakPolarHBondContact O-CD2 3.4Å
443M88.2Confident88.4Confident0 Ų012.1 Ų12.10%07%0.065CC..Hα-helixtrans-63.2-39179.6-76.2-75.5-169.700112.3I388 I392 P400 F401 M439 T440 V445 F446 V447I388-M443 HydrophobicContact CB-CE 4.11Å; I388-M443 HydrophobicContact CG1-CE 3.84Å; I388-M443 HydrophobicContact CG1-CG 4.4Å; I388-M443 HydrophobicContact CG2-CE 3.92Å; I388-M443 HydrophobicContact CG2-SD 4.45Å; I392-M443 HydrophobicContact CD1-CE 3.55Å; I392-M443 HydrophobicContact CD1-SD 3.5Å; I392-M443 WeakPolarHBondContact CD1-SD 3.31Å; I392-M443 HydrophobicContact CG1-CE 3.25Å; I392-M443 HydrophobicContact CG1-SD 3.7Å; P400-M443 HydrophobicContact CB-CE 3.9Å; F401-M443 HydrophobicContact CB-CB 4.1Å; F401-M443 HydrophobicContact CB-CG 4.48Å; F401-M443 HydrophobicContact CD2-CB 3.92Å; F401-M443 HydrophobicContact CG-CB 4.03Å; M439-M443 VanDerWaalsContact O-CB 3.28Å; M439-M443 WeakPolarHBondContact O-CB 3.45Å; M439-M443 WeakPolarHBondContact O-CG 3.39Å; M439-M443 PolarHBondContact O-N 3.27Å; T440-M443 PolarHBondContact O-N 2.97Å; M443-V445 PolarHBondContact O-N 3.27Å; M443-F446 PolarHBondContact O-N 3.16Å; M443-F446 VanDerWaalsContact O-N 3.14Å; M443-V447 WeakPolarHBondContact O-CG2 3.1Å; M443-V447 PolarHBondContact O-N 2.95Å
444V90.9Very high87.4Confident0 Ų015.3 Ų15.30%08%0.084CC..Hα-helixtrans-52.4-45.9175.7164.70000110.3N348 W349 F401 T440 E442 F446 N448N348-V444 HydrophobicContact CB-CG2 3.93Å; W349-V444 HydrophobicContact CD2-CG1 3.42Å; W349-V444 VanDerWaalsContact CD2-CG1 3.42Å; W349-V444 HydrophobicContact CE3-CG1 4.11Å; W349-V444 HydrophobicContact CG-CG1 3.57Å; W349-V444 HydrophobicContact CZ2-CG1 3.93Å; F401-V444 HydrophobicContact CD2-CG2 4.49Å; F401-V444 HydrophobicContact CE1-CG2 4.33Å; F401-V444 HydrophobicContact CE2-CG2 3.39Å; F401-V444 HydrophobicContact CZ-CB 4.36Å; F401-V444 HydrophobicContact CZ-CG2 3.29Å; T440-V444 HydrophobicContact CG2-CG2 4.42Å; T440-V444 VanDerWaalsContact O-CG2 3.28Å; T440-V444 WeakPolarHBondContact O-CG2 3.46Å; T440-V444 PolarHBondContact O-N 3.24Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 2.74Å; V444-F446 PolarHBondContact O-N 3.19Å; V444-N448 WeakPolarHBondContact O-CB 3.47Å; V444-N448 PolarHBondContact O-N 2.78Å
445V84.3Confident86.3Confident39 Ų3918.9 Ų18.924%0.23610%0.1CC..Hα-helixtrans-57.8-48.6179.7-178.40000111.1W349 E442 M443 T449W349-V445 HydrophobicContact CH2-CG2 3.53Å; W349-V445 HydrophobicContact CZ2-CG2 3.89Å; W349-V445 HydrophobicContact CZ3-CG2 4.4Å; E442-V445 WeakPolarHBondContact O-CB 3.43Å; E442-V445 PolarHBondContact O-N 3.49Å; M443-V445 PolarHBondContact O-N 3.27Å; V445-T449 WeakPolarHBondContact O-CG2 3.4Å; V445-T449 PolarHBondContact O-N 3.12Å
446F83Confident85.4Confident21 Ų2116.9 Ų16.99%0.0929%0.089CC..Hα-helixtrans-66.3-51.9-179-69.4-64.7000112.4R231 V235 I392 E442 M443 V444 N448 T449 E450R231-F446 HydrophobicContact CG-CE1 3.87Å; R231-F446 HydrophobicContact CG-CZ 4.24Å; V235-F446 HydrophobicContact CG2-CE2 4.05Å; V235-F446 HydrophobicContact CG2-CZ 3.68Å; I392-F446 HydrophobicContact CD1-CD2 4.47Å; E442-F446 VanDerWaalsContact O-CD2 3.29Å; E442-F446 WeakPolarHBondContact O-CD2 3.4Å; M443-F446 PolarHBondContact O-N 3.16Å; M443-F446 VanDerWaalsContact O-N 3.14Å; V444-F446 PolarHBondContact O-N 3.19Å; F446-N448 PolarHBondContact O-N 3.1Å; F446-T449 PolarHBondContact O-N 3Å; F446-T449 PolarHBondContact O-OG1 2.63Å; F446-E450 WeakPolarHBondContact O-CG 3.43Å; F446-E450 PolarHBondContact O-N 2.8Å
447V87.3Confident84.5Confident6 Ų618.8 Ų18.84%0.03610%0.096CC..Hα-helixtrans-61.6-37.7-1781780000110.8L345 R397 F401 M443 T449 E450 L451 L508L345-V447 HydrophobicContact CD2-CG1 4.18Å; R397-V447 HydrophobicContact CB-CG2 3.91Å; R397-V447 HydrophobicContact CG-CG2 4.48Å; F401-V447 HydrophobicContact CD1-CB 4.36Å; F401-V447 HydrophobicContact CD1-CG1 4.43Å; F401-V447 HydrophobicContact CD1-CG2 3.96Å; F401-V447 HydrophobicContact CE1-CB 4.41Å; F401-V447 HydrophobicContact CE1-CG1 4.41Å; F401-V447 HydrophobicContact CE1-CG2 4.48Å; M443-V447 WeakPolarHBondContact O-CG2 3.1Å; M443-V447 PolarHBondContact O-N 2.95Å; V447-T449 PolarHBondContact O-N 3.11Å; V447-E450 PolarHBondContact O-N 2.86Å; V447-L451 HydrophobicContact CG1-CD1 3.53Å; V447-L451 HydrophobicContact CG1-CG 4.05Å; V447-L451 WeakPolarHBondContact O-CB 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.36Å; V447-L451 PolarHBondContact O-N 3.36Å; V447-L508 HydrophobicContact CG1-CD1 4.37Å
448N87.8Confident83.5Confident0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-58.2-47.5173.6-166.527.8000111.1L345 W349 V444 F446 E450 Y452 V461L345-N448 HydrophobicContact CD1-CB 4.47Å; L345-N448 HydrophobicContact CD2-CB 4.47Å; W349-N448 PolarHBondContact NE1-ND2 3.29Å; V444-N448 WeakPolarHBondContact O-CB 3.47Å; V444-N448 PolarHBondContact O-N 2.78Å; F446-N448 PolarHBondContact O-N 3.1Å; N448-E450 PolarHBondContact O-N 3.42Å; N448-Y452 WeakPolarHBondContact O-CD2 3.35Å; N448-Y452 WeakPolarHBondContact OD1-CE2 3.43Å; N448-V461 HydrophobicContact CB-CG2 4.35Å; N448-V461 WeakPolarHBondContact ND2-CA 3.26Å; N448-V461 PolarHBondContact ND2-O 3.12Å
449T81.6Confident82.8Confident48 Ų4828.5 Ų28.529%0.29415%0.145SC..Hα-helixtrans-68.9-30.4177.5600000114.3V445 F446 V447 R457 V461V445-T449 WeakPolarHBondContact O-CG2 3.4Å; V445-T449 PolarHBondContact O-N 3.12Å; F446-T449 PolarHBondContact O-N 3Å; F446-T449 PolarHBondContact O-OG1 2.63Å; V447-T449 PolarHBondContact O-N 3.11Å; T449-R457 WeakPolarHBondContact O-CD 3.48Å; T449-R457 PolarHBondContact O-NE 3.32Å; T449-V461 HydrophobicContact CG2-CG2 3.86Å
450E84.3Confident82.3Confident29 Ų2927.8 Ų27.814%0.13614%0.141CC..Hα-helixtrans-81.7-25-176.9-68.9178-171.700112.7R231 R397 F446 V447 N448 T511 L516R231-E450 IonicContact NH1-OE1 3.76Å; R231-E450 PolarHBondContact NH1-OE1 3.42Å; R231-E450 VanDerWaalsContact NH1-OE1 3.1Å; R231-E450 IonicContact NH2-OE1 3.72Å; R397-E450 IonicContact NE-OE1 3.95Å; R397-E450 IonicContact NE-OE2 3.72Å; R397-E450 PolarHBondContact NE-OE2 3.39Å; R397-E450 IonicContact NH2-OE1 2.93Å; F446-E450 WeakPolarHBondContact O-CG 3.43Å; F446-E450 PolarHBondContact O-N 2.8Å; V447-E450 PolarHBondContact O-N 2.86Å; N448-E450 PolarHBondContact O-N 3.42Å; E450-T511 HydrophobicContact CB-CG2 4.03Å; E450-T511 VanDerWaalsContact OE2-CB 3.27Å; E450-T511 WeakPolarHBondContact OE2-CB 3.31Å; E450-T511 PolarHBondContact OE2-OG1 2.82Å; E450-L516 HydrophobicContact CB-CD2 4.28Å; E450-L516 HydrophobicContact CG-CD2 4.36Å
451L84.9Confident81.8Confident10 Ų1029.1 Ų29.15%0.05215%0.149CC..Hα-helixtrans-86.3-16.9-176.8-75.3175.4000115L345 V447 L508 P509 T511 I523L345-L451 HydrophobicContact CD1-CB 4.47Å; L345-L451 HydrophobicContact CD1-CD1 3.96Å; L345-L451 HydrophobicContact CD2-CD1 4.3Å; L345-L451 HydrophobicContact CG-CD1 4.41Å; V447-L451 HydrophobicContact CG1-CD1 3.53Å; V447-L451 HydrophobicContact CG1-CG 4.05Å; V447-L451 WeakPolarHBondContact O-CB 3.24Å; V447-L451 WeakPolarHBondContact O-CG 3.36Å; V447-L451 PolarHBondContact O-N 3.36Å; L451-L508 HydrophobicContact CD1-CD1 4.15Å; L451-L508 HydrophobicContact CD1-CD2 4.09Å; L451-P509 HydrophobicContact CD2-CG 3.64Å; L451-T511 HydrophobicContact CD2-CG2 3.79Å; L451-T511 HydrophobicContact CG-CG2 4.2Å; L451-I523 WeakPolarHBondContact O-CD1 2.97Å
452Y81.9Confident81.5Confident0 Ų030.1 Ų30.10%016%0.16CC..SBendtrans-98.5143.7-178.7-73.8-69.1000113.2L332 M338 T342 L345 N448 V456 R457 V461 C464L332-Y452 HydrophobicContact CD2-CD1 4.16Å; L332-Y452 HydrophobicContact CD2-CE1 3.33Å; M338-Y452 HydrophobicContact CE-CD1 3.6Å; M338-Y452 HydrophobicContact CE-CE1 3.81Å; T342-Y452 VanDerWaalsContact CA-OH 3.24Å; T342-Y452 WeakPolarHBondContact CA-OH 3.35Å; T342-Y452 WeakPolarHBondContact CB-OH 3.49Å; T342-Y452 WeakPolarHBondContact CG2-OH 3.23Å; T342-Y452 PolarHBondContact OG1-OH 3.47Å; L345-Y452 HydrophobicContact CD1-CE2 3.94Å; N448-Y452 WeakPolarHBondContact O-CD2 3.35Å; N448-Y452 WeakPolarHBondContact OD1-CE2 3.43Å; Y452-V456 HydrophobicContact CD1-CG1 4.5Å; Y452-R457 PolarHBondContact O-NE 3.38Å; Y452-R457 VanDerWaalsContact O-NE 3.15Å; Y452-R457 PolarHBondContact O-NH2 3.16Å; Y452-V461 HydrophobicContact CD2-CG2 4.38Å; Y452-C464 PolarHBondContact OH-SG 2.92Å
453P76.9Confident81.4Confident0 Ų031.5 Ų31.50%017%0.168CC..  trans-69.3148.4178.921.1-17.8000111.6M338 F455 V456 R457 P517 I520 I523M338-P453 HydrophobicContact CE-CG 4.36Å; P453-F455 HydrophobicContact CB-CD1 4.12Å; P453-F455 HydrophobicContact CB-CE1 3.92Å; P453-F455 HydrophobicContact CG-CD1 4.47Å; P453-F455 HydrophobicContact CG-CE1 3.93Å; P453-F455 PolarHBondContact O-N 3.31Å; P453-F455 VanDerWaalsContact O-N 3.07Å; P453-V456 VanDerWaalsContact CD-CG1 3.48Å; P453-V456 HydrophobicContact CG-CG1 3.56Å; P453-V456 PolarHBondContact O-N 3.03Å; P453-R457 WeakPolarHBondContact O-CA 3.42Å; P453-R457 WeakPolarHBondContact O-CB 3.48Å; P453-R457 PolarHBondContact O-N 3.02Å; P453-P517 WeakPolarHBondContact CA-O 3.47Å; P453-P517 HydrophobicContact CB-CB 4.35Å; P453-I520 HydrophobicContact CG-CG1 4.01Å; P453-I523 HydrophobicContact CB-CD1 4.36Å; P453-I523 VanDerWaalsContact CD-CD1 3.48Å; P453-I523 HydrophobicContact CG-CD1 3.83Å
454T72Confident81.4Confident69 Ų6931.5 Ų31.542%0.42317%0.168SC..THydrogen-bonded Turntrans-51.4-40.3-167-51.90000113.4R457 P517 D518T454-R457 PolarHBondContact OG1-NH2 3.13Å; T454-R457 VanDerWaalsContact OG1-NH2 3.15Å; T454-P517 PolarHBondContact N-O 3.48Å; T454-P517 VanDerWaalsContact N-O 3.17Å; T454-P517 PolarHBondContact OG1-O 3.18Å; T454-D518 PolarHBondContact OG1-OD1 2.05Å
455F69.4Low81.1Confident82 Ų8232.5 Ų32.536%0.3618%0.175SC..THydrogen-bonded Turntrans-71.6-31.5-178.375.6-85.9000114.7T327 P453 D518 I520T327-F455 HydrophobicContact CG2-CD2 4.1Å; T327-F455 WeakPolarHBondContact CG2-O 3.49Å; P453-F455 HydrophobicContact CB-CD1 4.12Å; P453-F455 HydrophobicContact CB-CE1 3.92Å; P453-F455 HydrophobicContact CG-CD1 4.47Å; P453-F455 HydrophobicContact CG-CE1 3.93Å; P453-F455 PolarHBondContact O-N 3.31Å; P453-F455 VanDerWaalsContact O-N 3.07Å; F455-D518 WeakPolarHBondContact CD1-O 3.14Å; F455-I520 HydrophobicContact CE1-CG1 4.18Å; F455-I520 HydrophobicContact CZ-CD1 3.7Å; F455-I520 HydrophobicContact CZ-CG1 3.77Å
456V75.1Confident81.3Confident0 Ų032.1 Ų32.10%017%0.173CC..THydrogen-bonded Turntrans-106.8-4.2-179.276.50000112.8T327 L332 M338 Y452 P453 N458 F459 G460T327-V456 HydrophobicContact CG2-CB 4.36Å; T327-V456 HydrophobicContact CG2-CG2 4.37Å; L332-V456 HydrophobicContact CD1-CG2 4.45Å; L332-V456 HydrophobicContact CG-CG2 4.47Å; M338-V456 HydrophobicContact CE-CG1 4.43Å; Y452-V456 HydrophobicContact CD1-CG1 4.5Å; P453-V456 VanDerWaalsContact CD-CG1 3.48Å; P453-V456 HydrophobicContact CG-CG1 3.56Å; P453-V456 PolarHBondContact O-N 3.03Å; V456-N458 PolarHBondContact O-N 3.41Å; V456-F459 HydrophobicContact CG2-CB 4.39Å; V456-F459 HydrophobicContact CG2-CD1 4.27Å; V456-F459 PolarHBondContact O-N 3.26Å; V456-F459 VanDerWaalsContact O-N 3.14Å; V456-G460 PolarHBondContact O-N 3.04Å
457R77.2Confident81.8Confident40 Ų4034.2 Ų34.215%0.15119%0.185CC..Hα-helixtrans-51.9-53.1-173.5-178.5-178.9-62.9150.410.1113.6T449 Y452 P453 T454 F459 G460 V461T449-R457 WeakPolarHBondContact O-CD 3.48Å; T449-R457 PolarHBondContact O-NE 3.32Å; Y452-R457 PolarHBondContact O-NE 3.38Å; Y452-R457 VanDerWaalsContact O-NE 3.15Å; Y452-R457 PolarHBondContact O-NH2 3.16Å; P453-R457 WeakPolarHBondContact O-CA 3.42Å; P453-R457 WeakPolarHBondContact O-CB 3.48Å; P453-R457 PolarHBondContact O-N 3.02Å; T454-R457 PolarHBondContact OG1-NH2 3.13Å; T454-R457 VanDerWaalsContact OG1-NH2 3.15Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 PolarHBondContact O-N 2.8Å; R457-G460 PolarHBondContact O-N 3.22Å; R457-V461 HydrophobicContact CG-CG2 4.39Å; R457-V461 WeakPolarHBondContact O-CB 3.27Å; R457-V461 WeakPolarHBondContact O-CG2 3.46Å; R457-V461 PolarHBondContact O-N 2.92Å
458N72.5Confident82Confident136 Ų13634.6 Ų34.673%0.72719%0.187SC*.Hα-helixtrans-63.6-39.5-177.5-68-24.7000111.6V456 S462V456-N458 PolarHBondContact O-N 3.41Å; N458-S462 WeakPolarHBondContact O-CB 3.36Å; N458-S462 PolarHBondContact O-N 3.3Å
459F78.7Confident82.2Confident73 Ų7334.9 Ų34.932%0.3219%0.189SC..Hα-helixtrans-68-46.5178.2-175.9-101.2000111.6F329 L332 V456 R457 V461 S462 V463F329-F459 HydrophobicContact CB-CE1 4.13Å; F329-F459 HydrophobicContact CB-CZ 4.14Å; F329-F459 HydrophobicContact CD2-CE1 4.16Å; F329-F459 HydrophobicContact CD2-CZ 4.22Å; L332-F459 HydrophobicContact CD1-CD1 3.36Å; L332-F459 HydrophobicContact CD1-CE1 3.34Å; V456-F459 HydrophobicContact CG2-CB 4.39Å; V456-F459 HydrophobicContact CG2-CD1 4.27Å; V456-F459 PolarHBondContact O-N 3.26Å; V456-F459 VanDerWaalsContact O-N 3.14Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 PolarHBondContact O-N 2.8Å; F459-V461 PolarHBondContact O-N 3.41Å; F459-S462 WeakPolarHBondContact O-CB 3.33Å; F459-S462 PolarHBondContact O-N 3.49Å; F459-V463 HydrophobicContact CD1-CG2 4.3Å; F459-V463 HydrophobicContact CE1-CG2 3.79Å; F459-V463 HydrophobicContact CE2-CG2 4.38Å; F459-V463 HydrophobicContact CZ-CG2 3.85Å; F459-V463 WeakPolarHBondContact O-CG2 3.4Å; F459-V463 PolarHBondContact O-N 2.89Å
460G80.8Confident82.8Confident0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-61.9-42.3176.400000113.3V456 R457 S462 V463 C464V456-G460 PolarHBondContact O-N 3.04Å; R457-G460 PolarHBondContact O-N 3.22Å; G460-S462 VanDerWaalsContact C-N 3.33Å; G460-S462 PolarHBondContact O-N 3.24Å; G460-V463 PolarHBondContact O-N 3.12Å; G460-C464 PolarHBondContact O-N 3.28Å; G460-C464 PolarHBondContact O-SG 2.92Å
461V83.9Confident83.3Confident28 Ų2833.7 Ų33.717%0.1718%0.183CC..Hα-helixtrans-60.3-44.9175.1167.90000110.9N448 T449 Y452 R457 F459 C464 S465N448-V461 HydrophobicContact CB-CG2 4.35Å; N448-V461 WeakPolarHBondContact ND2-CA 3.26Å; N448-V461 PolarHBondContact ND2-O 3.12Å; T449-V461 HydrophobicContact CG2-CG2 3.86Å; Y452-V461 HydrophobicContact CD2-CG2 4.38Å; R457-V461 HydrophobicContact CG-CG2 4.39Å; R457-V461 WeakPolarHBondContact O-CB 3.27Å; R457-V461 WeakPolarHBondContact O-CG2 3.46Å; R457-V461 PolarHBondContact O-N 2.92Å; F459-V461 PolarHBondContact O-N 3.41Å; V461-C464 PolarHBondContact O-N 3.47Å; V461-S465 VanDerWaalsContact O-CB 3.29Å; V461-S465 WeakPolarHBondContact O-CB 3.41Å; V461-S465 PolarHBondContact O-N 2.95Å; V461-S465 PolarHBondContact O-OG 2.78Å
462S82.3Confident83.6Confident50 Ų5033.2 Ų33.235%0.3518%0.181SC..Hα-helixtrans-61.8-47178.3-174.60000112.3N458 F459 G460 C464 S465 T466N458-S462 WeakPolarHBondContact O-CB 3.36Å; N458-S462 PolarHBondContact O-N 3.3Å; F459-S462 WeakPolarHBondContact O-CB 3.33Å; F459-S462 PolarHBondContact O-N 3.49Å; G460-S462 VanDerWaalsContact C-N 3.33Å; G460-S462 PolarHBondContact O-N 3.24Å; S462-C464 PolarHBondContact O-N 3.36Å; S462-S465 WeakPolarHBondContact CA-OG 3.48Å; S462-S465 PolarHBondContact O-N 3.46Å; S462-S465 PolarHBondContact O-OG 3.24Å; S462-T466 PolarHBondContact O-N 3.33Å; S462-T466 PolarHBondContact O-OG1 2.92Å
463V86.2Confident84.3Confident30 Ų3035 Ų3518%0.18219%0.19CC..Hα-helixtrans-58.5-48.3176.31690000111.4F329 L332 F459 G460 S465 T466F329-V463 HydrophobicContact CD2-CG1 4.49Å; F329-V463 HydrophobicContact CD2-CG2 4.11Å; F329-V463 HydrophobicContact CE2-CG1 3.78Å; F329-V463 HydrophobicContact CE2-CG2 4.19Å; L332-V463 HydrophobicContact CD1-CG2 4.35Å; F459-V463 HydrophobicContact CD1-CG2 4.3Å; F459-V463 HydrophobicContact CE1-CG2 3.79Å; F459-V463 HydrophobicContact CE2-CG2 4.38Å; F459-V463 HydrophobicContact CZ-CG2 3.85Å; F459-V463 WeakPolarHBondContact O-CG2 3.4Å; F459-V463 PolarHBondContact O-N 2.89Å; G460-V463 PolarHBondContact O-N 3.12Å; V463-S465 PolarHBondContact O-N 3.5Å; V463-T466 WeakPolarHBondContact O-CB 3.29Å; V463-T466 PolarHBondContact O-N 3.24Å
464C87.6Confident85.1Confident0 Ų037.4 Ų37.40%021%0.205CC..Hα-helixtrans-65.1-40.3177.9-69.10000111.8S346 W349 Y452 G460 V461 S462 T466 L467S346-C464 PolarHBondContact OG-SG 2.88Å; W349-C464 WeakPolarHBondContact CB-O 3.46Å; W349-C464 HydrophobicContact CG-CB 4.5Å; Y452-C464 PolarHBondContact OH-SG 2.92Å; G460-C464 PolarHBondContact O-N 3.28Å; G460-C464 PolarHBondContact O-SG 2.92Å; V461-C464 PolarHBondContact O-N 3.47Å; S462-C464 PolarHBondContact O-N 3.36Å; C464-T466 VanDerWaalsContact C-N 3.27Å; C464-T466 PolarHBondContact O-N 3.31Å; C464-L467 PolarHBondContact O-N 3Å
465S85.8Confident86.2Confident21 Ų2134.1 Ų34.115%0.14719%0.185CC..Hα-helixtrans-68.1-23.5178.778.10000113.5V461 S462 V463 L467 C468V461-S465 VanDerWaalsContact O-CB 3.29Å; V461-S465 WeakPolarHBondContact O-CB 3.41Å; V461-S465 PolarHBondContact O-N 2.95Å; V461-S465 PolarHBondContact O-OG 2.78Å; S462-S465 WeakPolarHBondContact CA-OG 3.48Å; S462-S465 PolarHBondContact O-N 3.46Å; S462-S465 PolarHBondContact O-OG 3.24Å; V463-S465 PolarHBondContact O-N 3.5Å; S465-L467 PolarHBondContact O-N 2.92Å; S465-C468 WeakPolarHBondContact O-CA 3.45Å; S465-C468 WeakPolarHBondContact O-CB 3.42Å; S465-C468 PolarHBondContact O-N 3.4Å
466T89.3Confident87.3Confident32 Ų3230.2 Ų30.220%0.19617%0.168CC..Hα-helixtrans-61.6-35.2173.5-66.70000111L157 S462 V463 C464 C468 D469 V470L157-T466 HydrophobicContact CD1-CG2 3.32Å; S462-T466 PolarHBondContact O-N 3.33Å; S462-T466 PolarHBondContact O-OG1 2.92Å; V463-T466 WeakPolarHBondContact O-CB 3.29Å; V463-T466 PolarHBondContact O-N 3.24Å; C464-T466 VanDerWaalsContact C-N 3.27Å; C464-T466 PolarHBondContact O-N 3.31Å; T466-C468 PolarHBondContact O-N 3.46Å; T466-D469 PolarHBondContact O-N 3.24Å; T466-D469 VanDerWaalsContact O-N 3.1Å; T466-V470 PolarHBondContact O-N 3.37Å
467L92Very high88.1Confident65 Ų6533.3 Ų33.334%0.3418%0.181SC..Hα-helixtrans-69.2-19.5174.6-69.3-145.1000113.3F350 C464 S465 D469 V470 G471F350-L467 WeakPolarHBondContact CA-O 3.39Å; F350-L467 HydrophobicContact CB-CB 4.27Å; C464-L467 PolarHBondContact O-N 3Å; S465-L467 PolarHBondContact O-N 2.92Å; L467-D469 VanDerWaalsContact C-N 3.33Å; L467-V470 HydrophobicContact CD2-CG2 4.29Å; L467-V470 PolarHBondContact O-N 3.39Å; L467-G471 PolarHBondContact O-N 3.3Å
468C92Very high88.8Confident13 Ų1333.4 Ų33.49%0.08818%0.184CC..Hα-helixtrans-60.7-44.6168.3-172.10000110.8W349 A353 F441 S465 T466 G471 G472W349-C468 HydrophobicContact CB-CB 4.38Å; W349-C468 HydrophobicContact CD2-CB 4.33Å; W349-C468 HydrophobicContact CE3-CB 3.55Å; W349-C468 HydrophobicContact CZ3-CB 4.13Å; A353-C468 HydrophobicContact CB-CB 4.38Å; A353-C468 WeakPolarHBondContact CB-O 3.48Å; A353-C468 VanDerWaalsContact CB-SG 3.58Å; F441-C468 VanDerWaalsContact CE2-SG 3.59Å; F441-C468 VanDerWaalsContact CZ-SG 3.59Å; S465-C468 WeakPolarHBondContact O-CA 3.45Å; S465-C468 WeakPolarHBondContact O-CB 3.42Å; S465-C468 PolarHBondContact O-N 3.4Å; T466-C468 PolarHBondContact O-N 3.46Å; C468-G471 PolarHBondContact O-N 3.1Å; C468-G472 PolarHBondContact O-N 3.01Å
469D92.1Very high89.7Confident7 Ų726.9 Ų26.94%0.03715%0.15CC..Hα-helixtrans-68-39.5-179.5-57.7-44.1000111.1L157 K211 T466 L467 G471 G472 I473L157-D469 WeakPolarHBondContact CA-OD2 3.26Å; L157-D469 HydrophobicContact CB-CB 3.8Å; L157-D469 HydrophobicContact CD1-CB 4.28Å; K211-D469 IonicContact NZ-OD1 3.25Å; K211-D469 PolarHBondContact NZ-OD1 2.88Å; K211-D469 IonicContact NZ-OD2 2.76Å; K211-D469 PolarHBondContact NZ-OD2 3Å; T466-D469 PolarHBondContact O-N 3.24Å; T466-D469 VanDerWaalsContact O-N 3.1Å; L467-D469 VanDerWaalsContact C-N 3.33Å; D469-G471 VanDerWaalsContact C-N 3.29Å; D469-G471 PolarHBondContact O-N 3.31Å; D469-G472 CarbonylContact O-C 3.44Å; D469-G472 WeakPolarHBondContact O-CA 3.22Å; D469-G472 PolarHBondContact O-N 3.13Å; D469-G472 VanDerWaalsContact O-N 3.1Å; D469-I473 WeakPolarHBondContact O-CG1 3.2Å; D469-I473 PolarHBondContact O-N 3.29Å
470V94.5Very high90Very high51 Ų5124.9 Ų24.931%0.30914%0.14SC..Hα-helixtrans-59.7-42.2172.4-178.80000110.7F350 T466 L467 G472 I473 V474F350-V470 HydrophobicContact CD2-CG1 4.45Å; F350-V470 HydrophobicContact CE2-CG1 4.24Å; T466-V470 PolarHBondContact O-N 3.37Å; L467-V470 HydrophobicContact CD2-CG2 4.29Å; L467-V470 PolarHBondContact O-N 3.39Å; V470-G472 VanDerWaalsContact C-N 3.33Å; V470-G472 PolarHBondContact O-N 3.38Å; V470-I473 WeakPolarHBondContact O-CB 3.32Å; V470-I473 PolarHBondContact O-N 3.25Å; V470-V474 WeakPolarHBondContact O-CG2 3.23Å; V470-V474 PolarHBondContact O-N 2.6Å; V470-V474 VanDerWaalsContact O-N 3.1Å
471G93.6Very high90.3Very high0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-59.1-43.7172.500000112.3F350 V354 L467 C468 D469 I473 V474 A475F350-G471 VanDerWaalsContact CD2-CA 3.49Å; V354-G471 WeakPolarHBondContact CG2-O 3.5Å; L467-G471 PolarHBondContact O-N 3.3Å; C468-G471 PolarHBondContact O-N 3.1Å; D469-G471 VanDerWaalsContact C-N 3.29Å; D469-G471 PolarHBondContact O-N 3.31Å; G471-I473 VanDerWaalsContact C-N 3.34Å; G471-I473 PolarHBondContact O-N 3.29Å; G471-V474 PolarHBondContact O-N 3.49Å; G471-A475 WeakPolarHBondContact O-CB 3.42Å; G471-A475 PolarHBondContact O-N 3.5Å
472G92.9Very high90.5Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-63.2-34174.900000114.2N153 C468 D469 V470 P476N153-G472 VanDerWaalsContact ND2-C 3.35Å; N153-G472 PolarHBondContact ND2-O 2.97Å; C468-G472 PolarHBondContact O-N 3.01Å; D469-G472 CarbonylContact O-C 3.44Å; D469-G472 WeakPolarHBondContact O-CA 3.22Å; D469-G472 PolarHBondContact O-N 3.13Å; D469-G472 VanDerWaalsContact O-N 3.1Å; V470-G472 VanDerWaalsContact C-N 3.33Å; V470-G472 PolarHBondContact O-N 3.38Å; G472-P476 WeakPolarHBondContact O-CD 3.42Å
473I95.3Very high90.6Very high39 Ų3927.8 Ų27.820%0.215%0.147CC..Hα-helixtrans-65.9-41.3174-68.1166.5000110.7A150 N153 V154 D469 V470 G471 F477A150-I473 HydrophobicContact CB-CG2 4.21Å; N153-I473 HydrophobicContact CB-CG1 3.59Å; V154-I473 HydrophobicContact CB-CD1 4.48Å; V154-I473 HydrophobicContact CG2-CD1 3.58Å; V154-I473 HydrophobicContact CG2-CG1 3.98Å; D469-I473 WeakPolarHBondContact O-CG1 3.2Å; D469-I473 PolarHBondContact O-N 3.29Å; V470-I473 WeakPolarHBondContact O-CB 3.32Å; V470-I473 PolarHBondContact O-N 3.25Å; G471-I473 VanDerWaalsContact C-N 3.34Å; G471-I473 PolarHBondContact O-N 3.29Å; I473-F477 WeakPolarHBondContact O-CD2 3.42Å
474V94.9Very high90.3Very high50 Ų5032 Ų3230%0.30317%0.172SC..Hα-helixtrans-82.4-29.6-174.1175.30000112.3V470 G471 F477 L478V470-V474 WeakPolarHBondContact O-CG2 3.23Å; V470-V474 PolarHBondContact O-N 2.6Å; V470-V474 VanDerWaalsContact O-N 3.1Å; G471-V474 PolarHBondContact O-N 3.49Å; V474-F477 PolarHBondContact O-N 3.49Å; V474-L478 HydrophobicContact CG1-CD1 3.56Å; V474-L478 HydrophobicContact CG1-CG 3.68Å; V474-L478 PolarHBondContact O-N 3.42Å
475A93.8Very high90.2Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-56.8-46.2-173.800000115.2Q357 G471 F477 L478 L479Q357-A475 HydrophobicContact CB-CB 4.05Å; Q357-A475 HydrophobicContact CG-CB 4.18Å; G471-A475 WeakPolarHBondContact O-CB 3.42Å; G471-A475 PolarHBondContact O-N 3.5Å; A475-F477 PolarHBondContact O-N 2.99Å; A475-L478 PolarHBondContact O-N 3.28Å; A475-L479 WeakPolarHBondContact O-CB 3.35Å; A475-L479 PolarHBondContact O-N 3.05Å
476P92Very high90Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-60.2-45.7179-22.733.2000111.9D146 Q149 M361 G472 L479 Y480D146-P476 HydrophobicContact CB-CB 4.07Å; Q149-P476 HydrophobicContact CB-CB 4.25Å; Q149-P476 HydrophobicContact CB-CG 3.64Å; Q149-P476 HydrophobicContact CG-CG 3.71Å; M361-P476 HydrophobicContact CE-CB 3.97Å; M361-P476 HydrophobicContact CE-CG 4.1Å; M361-P476 HydrophobicContact SD-CB 4.17Å; M361-P476 HydrophobicContact SD-CG 3.93Å; G472-P476 WeakPolarHBondContact O-CD 3.42Å; P476-L479 PolarHBondContact O-N 3.06Å; P476-Y480 HydrophobicContact CB-CD2 4.43Å; P476-Y480 VanDerWaalsContact O-CD2 3.24Å; P476-Y480 WeakPolarHBondContact O-CD2 3.36Å; P476-Y480 PolarHBondContact O-N 3.04Å
477F92.4Very high89.7Confident65 Ų6544 Ų4429%0.28523%0.229SC..Hα-helixtrans-64.6-43.2178.1-68.4-76.1000111.8D146 L147 A150 I473 V474 A475 L479 R481D146-F477 HydrophobicContact CB-CD1 3.62Å; D146-F477 HydrophobicContact CB-CD2 4.42Å; D146-F477 HydrophobicContact CB-CE1 3.57Å; D146-F477 HydrophobicContact CB-CE2 4.38Å; D146-F477 HydrophobicContact CB-CG 4.06Å; D146-F477 HydrophobicContact CB-CZ 3.97Å; L147-F477 HydrophobicContact CB-CZ 4.37Å; A150-F477 HydrophobicContact CB-CD2 4.46Å; A150-F477 HydrophobicContact CB-CE2 3.62Å; A150-F477 HydrophobicContact CB-CZ 4.38Å; I473-F477 WeakPolarHBondContact O-CD2 3.42Å; V474-F477 PolarHBondContact O-N 3.49Å; A475-F477 PolarHBondContact O-N 2.99Å; F477-L479 VanDerWaalsContact C-N 3.27Å; F477-L479 PolarHBondContact O-N 3.04Å; F477-R481 VanDerWaalsContact O-CB 3.23Å; F477-R481 WeakPolarHBondContact O-CB 3.15Å; F477-R481 WeakPolarHBondContact O-CG 3.33Å; F477-R481 PolarHBondContact O-N 3.45Å; F477-R481 VanDerWaalsContact O-N 3.16Å
478L92.4Very high89.6Confident41 Ų4141.5 Ų41.522%0.21522%0.215CC..Hα-helixtrans-61.5-36.2175.3-80.3178.9000112.3V354 V474 A475 L482 F494V354-L478 HydrophobicContact CG1-CD1 3.82Å; V474-L478 HydrophobicContact CG1-CD1 3.56Å; V474-L478 HydrophobicContact CG1-CG 3.68Å; V474-L478 PolarHBondContact O-N 3.42Å; A475-L478 PolarHBondContact O-N 3.28Å; L478-L482 VanDerWaalsContact O-CB 3.32Å; L478-L482 WeakPolarHBondContact O-CB 3.46Å; L478-L482 WeakPolarHBondContact O-CD1 3.4Å; L478-F494 HydrophobicContact CB-CE1 4.48Å
479L90.4Very high89.5Confident0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-74.2-63.7178.9-179.672.2000111.2M361 R362 I365 A475 P476 F477 R481 L482 A483 P490 F494M361-L479 VanDerWaalsContact C-CD2 3.42Å; M361-L479 HydrophobicContact CB-CD2 3.34Å; R362-L479 HydrophobicContact CB-CD1 3.98Å; R362-L479 HydrophobicContact CB-CD2 4.39Å; R362-L479 HydrophobicContact CG-CD1 4.46Å; I365-L479 HydrophobicContact CD1-CD1 4.37Å; I365-L479 HydrophobicContact CD1-CG 4.47Å; A475-L479 WeakPolarHBondContact O-CB 3.35Å; A475-L479 PolarHBondContact O-N 3.05Å; P476-L479 PolarHBondContact O-N 3.06Å; F477-L479 VanDerWaalsContact C-N 3.27Å; F477-L479 PolarHBondContact O-N 3.04Å; L479-R481 PolarHBondContact O-N 2.84Å; L479-L482 PolarHBondContact O-N 2.88Å; L479-A483 VanDerWaalsContact O-CB 3.26Å; L479-A483 WeakPolarHBondContact O-CB 3.1Å; L479-A483 PolarHBondContact O-N 3.22Å; L479-P490 HydrophobicContact CD1-CB 3.77Å; L479-P490 HydrophobicContact CD1-CG 4Å; L479-P490 WeakPolarHBondContact O-CG 3.43Å; L479-F494 HydrophobicContact CB-CZ 4.4Å; L479-F494 HydrophobicContact CD1-CE2 4.14Å; L479-F494 HydrophobicContact CD1-CZ 4.26Å
480Y85.9Confident89.5Confident31 Ų3143.1 Ų43.112%0.12222%0.223CC..Hα-helixtrans-69.6-39.4-167.3-69-67.3000112.5D146 M361 I365 P476 L482 A483 V484D146-Y480 WeakPolarHBondContact OD1-CB 3.46Å; D146-Y480 WeakPolarHBondContact OD1-CD2 3.12Å; M361-Y480 HydrophobicContact CE-CE2 3.58Å; I365-Y480 HydrophobicContact CG2-CD1 3.88Å; I365-Y480 HydrophobicContact CG2-CE1 3.41Å; I365-Y480 VanDerWaalsContact CG2-CE1 3.41Å; P476-Y480 HydrophobicContact CB-CD2 4.43Å; P476-Y480 VanDerWaalsContact O-CD2 3.24Å; P476-Y480 WeakPolarHBondContact O-CD2 3.36Å; P476-Y480 PolarHBondContact O-N 3.04Å; Y480-L482 PolarHBondContact O-N 2.79Å; Y480-A483 PolarHBondContact O-N 3.27Å; Y480-V484 WeakPolarHBondContact O-CG2 3.32Å; Y480-V484 PolarHBondContact O-N 3.32Å
481R88.2Confident89.4Confident87 Ų8740.8 Ų40.833%0.32821%0.208SC..Hα-helixtrans-69.3-35.4-179.4-59.4-60.1116.8-156.4-8.3112.3G142 W143 D146 F477 L479G142-R481 PolarHBondContact O-NH2 3.43Å; W143-R481 VanDerWaalsContact CA-NH2 3.27Å; W143-R481 VanDerWaalsContact N-NH2 3.17Å; D146-R481 IonicContact OD1-NH2 2.74Å; D146-R481 PolarHBondContact OD1-NH2 3.08Å; D146-R481 IonicContact OD2-CZ 2.7Å; D146-R481 VanDerWaalsContact OD2-CZ 3.25Å; D146-R481 IonicContact OD2-NE 2.66Å; D146-R481 PolarHBondContact OD2-NE 3.35Å; D146-R481 IonicContact OD2-NH2 2.73Å; D146-R481 PolarHBondContact OD2-NH2 2.97Å; F477-R481 VanDerWaalsContact O-CB 3.23Å; F477-R481 WeakPolarHBondContact O-CB 3.15Å; F477-R481 WeakPolarHBondContact O-CG 3.33Å; F477-R481 PolarHBondContact O-N 3.45Å; F477-R481 VanDerWaalsContact O-N 3.16Å; L479-R481 PolarHBondContact O-N 2.84Å
482L86.8Confident89.5Confident33 Ų3342.7 Ų42.717%0.17322%0.218CC..Hα-helixtrans-78.5-33.7178.4-81.761.2000111.6L478 L479 Y480 V484 V485 W486 L489 P490 I493L478-L482 VanDerWaalsContact O-CB 3.32Å; L478-L482 WeakPolarHBondContact O-CB 3.46Å; L478-L482 WeakPolarHBondContact O-CD1 3.4Å; L479-L482 PolarHBondContact O-N 2.88Å; Y480-L482 PolarHBondContact O-N 2.79Å; L482-V484 PolarHBondContact O-N 3.43Å; L482-V485 PolarHBondContact O-N 2.99Å; L482-W486 PolarHBondContact O-N 2.96Å; L482-W486 VanDerWaalsContact O-O 3.06Å; L482-L489 HydrophobicContact CB-CB 4.39Å; L482-L489 HydrophobicContact CB-CD2 4.05Å; L482-L489 HydrophobicContact CB-CG 4.36Å; L482-L489 HydrophobicContact CD2-CD2 4.19Å; L482-L489 HydrophobicContact CD2-CG 4.2Å; L482-L489 HydrophobicContact CG-CD2 3.94Å; L482-L489 HydrophobicContact CG-CG 4.41Å; L482-P490 HydrophobicContact CB-CG 3.81Å; L482-I493 HydrophobicContact CD2-CD1 3.22Å; L482-I493 HydrophobicContact CD2-CG1 4.1Å
483A84Confident89.5Confident19 Ų1945.5 Ų45.516%0.15723%0.233CC..Hα-helixtrans-60.1-30.5175.200000112.6I365 L479 Y480 V485 W486 L487 P490I365-A483 HydrophobicContact CD1-CB 4Å; L479-A483 VanDerWaalsContact O-CB 3.26Å; L479-A483 WeakPolarHBondContact O-CB 3.1Å; L479-A483 PolarHBondContact O-N 3.22Å; Y480-A483 PolarHBondContact O-N 3.27Å; A483-V485 VanDerWaalsContact C-N 3.34Å; A483-W486 CarbonylContact O-C 3.57Å; A483-L487 HydrophobicContact CB-CD1 4.28Å; A483-L487 PolarHBondContact O-N 2.96Å; A483-P490 HydrophobicContact CB-CG 4.34Å
484V81.1Confident89.5Confident117 Ų11743.7 Ų43.771%0.70922%0.223SC*.Hα-helixtrans-65.3-35.9173.5173.50000112.1Y480 L482Y480-V484 WeakPolarHBondContact O-CG2 3.32Å; Y480-V484 PolarHBondContact O-N 3.32Å; L482-V484 PolarHBondContact O-N 3.43Å
485V84.3Confident89.6Confident118 Ų11841.3 Ų41.372%0.71521%0.209SC*.Hα-helixtrans-76.1-51.1177.7-179.80000110.1L482 A483 L489L482-V485 PolarHBondContact O-N 2.99Å; A483-V485 VanDerWaalsContact C-N 3.34Å; V485-L489 HydrophobicContact CB-CD2 4.49Å
486W82.8Confident89.7Confident115 Ų11544.2 Ų44.244%0.43623%0.228SC..  trans-156.1125172.8178.645.9000109.4L482 A483 E488 L489 I492L482-W486 PolarHBondContact O-N 2.96Å; L482-W486 VanDerWaalsContact O-O 3.06Å; A483-W486 CarbonylContact O-C 3.57Å; W486-E488 HydrophobicContact CD2-CB 4.23Å; W486-E488 HydrophobicContact CH2-CB 4.06Å; W486-E488 HydrophobicContact CZ2-CB 3.75Å; W486-E488 HydrophobicContact CZ2-CG 4.31Å; W486-E488 HydrophobicContact CZ3-CB 4.44Å; W486-E488 PolarHBondContact O-N 3.03Å; W486-L489 HydrophobicContact CB-CB 4.18Å; W486-L489 HydrophobicContact CE3-CB 3.95Å; W486-L489 HydrophobicContact CE3-CD1 4.27Å; W486-L489 VanDerWaalsContact O-CB 3.26Å; W486-L489 WeakPolarHBondContact O-CB 3.37Å; W486-L489 PolarHBondContact O-N 3.28Å; W486-I492 HydrophobicContact CE3-CD1 4.48Å; W486-I492 HydrophobicContact CH2-CD1 4.06Å; W486-I492 HydrophobicContact CZ3-CD1 3.47Å; W486-I492 VanDerWaalsContact CZ3-CD1 3.47Å
487L82.9Confident89.9Confident74 Ų7445.8 Ų45.839%0.38724%0.237SC..THydrogen-bonded Turntrans-51.6-33.4-172.3-17463.1000113.9I365 A483 P490I365-L487 HydrophobicContact CD1-CD1 3.83Å; I365-L487 HydrophobicContact CG1-CD1 4.41Å; A483-L487 HydrophobicContact CB-CD1 4.28Å; A483-L487 PolarHBondContact O-N 2.96Å; L487-P490 WeakPolarHBondContact O-CD 3.33Å
488E88.6Confident90.1Very high12 Ų1242.7 Ų42.76%0.05622%0.223CC..THydrogen-bonded Turntrans-95.2-7.1-176.4-56.8-62.7175.200114.3R362 A416 K426 W486 P490 L491R362-E488 IonicContact CZ-OE2 3.86Å; R362-E488 IonicContact NE-OE2 2.98Å; R362-E488 VanDerWaalsContact NH2-CD 3.34Å; R362-E488 IonicContact NH2-OE1 2.66Å; R362-E488 PolarHBondContact NH2-OE1 2.88Å; R362-E488 IonicContact NH2-OE2 2.72Å; R362-E488 PolarHBondContact NH2-OE2 3.47Å; A416-E488 HydrophobicContact CB-CB 4.07Å; K426-E488 WeakPolarHBondContact CE-OE1 3.23Å; K426-E488 IonicContact NZ-OE1 3.12Å; K426-E488 PolarHBondContact NZ-OE1 3.12Å; W486-E488 HydrophobicContact CD2-CB 4.23Å; W486-E488 HydrophobicContact CH2-CB 4.06Å; W486-E488 HydrophobicContact CZ2-CB 3.75Å; W486-E488 HydrophobicContact CZ2-CG 4.31Å; W486-E488 HydrophobicContact CZ3-CB 4.44Å; W486-E488 PolarHBondContact O-N 3.03Å; E488-P490 VanDerWaalsContact C-CD 3.43Å; E488-L491 WeakPolarHBondContact O-CB 3.42Å; E488-L491 PolarHBondContact O-N 3.28Å; E488-L491 VanDerWaalsContact O-N 3.13Å; E488-L491 VanDerWaalsContact OE2-CD1 3.23Å; E488-L491 WeakPolarHBondContact OE2-CD1 3.36Å
489L90Very high90.3Very high53 Ų5344.4 Ų44.428%0.27723%0.229SC..Hα-helixtrans-57.6-40.4178.8-171.567.2000114L482 V485 W486 L491 I492 I493L482-L489 HydrophobicContact CB-CB 4.39Å; L482-L489 HydrophobicContact CB-CD2 4.05Å; L482-L489 HydrophobicContact CB-CG 4.36Å; L482-L489 HydrophobicContact CD2-CD2 4.19Å; L482-L489 HydrophobicContact CD2-CG 4.2Å; L482-L489 HydrophobicContact CG-CD2 3.94Å; L482-L489 HydrophobicContact CG-CG 4.41Å; V485-L489 HydrophobicContact CB-CD2 4.49Å; W486-L489 HydrophobicContact CB-CB 4.18Å; W486-L489 HydrophobicContact CE3-CB 3.95Å; W486-L489 HydrophobicContact CE3-CD1 4.27Å; W486-L489 VanDerWaalsContact O-CB 3.26Å; W486-L489 WeakPolarHBondContact O-CB 3.37Å; W486-L489 PolarHBondContact O-N 3.28Å; L489-L491 PolarHBondContact O-N 3.31Å; L489-I492 PolarHBondContact O-N 2.69Å; L489-I492 VanDerWaalsContact O-N 3.12Å; L489-I493 PolarHBondContact O-N 3.48Å
490P92.4Very high90.6Very high1 Ų148.1 Ų48.11%0.00625%0.252CS..Hα-helixtrans-56.2-38175.6-23.532.1000113L479 L482 A483 L487 E488 I492 I493 F494L479-P490 HydrophobicContact CD1-CB 3.77Å; L479-P490 HydrophobicContact CD1-CG 4Å; L479-P490 WeakPolarHBondContact O-CG 3.43Å; L482-P490 HydrophobicContact CB-CG 3.81Å; A483-P490 HydrophobicContact CB-CG 4.34Å; L487-P490 WeakPolarHBondContact O-CD 3.33Å; E488-P490 VanDerWaalsContact C-CD 3.43Å; P490-I492 VanDerWaalsContact C-N 3.31Å; P490-I492 PolarHBondContact O-N 3.33Å; P490-I493 PolarHBondContact O-N 3.16Å; P490-F494 HydrophobicContact CB-CE2 4.01Å; P490-F494 HydrophobicContact CB-CZ 4.04Å; P490-F494 WeakPolarHBondContact O-CB 3.46Å; P490-F494 WeakPolarHBondContact O-CD1 3.23Å; P490-F494 WeakPolarHBondContact O-CD2 3.34Å; P490-F494 WeakPolarHBondContact O-CG 3.43Å; P490-F494 PolarHBondContact O-N 2.97Å
491L92.8Very high91.1Very high1 Ų146.7 Ų46.71%0.00525%0.246CC..Hα-helixtrans-64.5-35.9178.9-68.2-170.7000112.6L359 R362 C412 T415 A416 E488 L489 I493 F494 G495L359-L491 HydrophobicContact CD2-CD2 3.72Å; R362-L491 VanDerWaalsContact CZ-CD1 3.47Å; C412-L491 HydrophobicContact CB-CB 4.4Å; C412-L491 WeakPolarHBondContact CB-O 2.99Å; T415-L491 HydrophobicContact CG2-CD1 3.6Å; A416-L491 HydrophobicContact CB-CB 4.15Å; A416-L491 HydrophobicContact CB-CD1 4.18Å; E488-L491 WeakPolarHBondContact O-CB 3.42Å; E488-L491 PolarHBondContact O-N 3.28Å; E488-L491 VanDerWaalsContact O-N 3.13Å; E488-L491 VanDerWaalsContact OE2-CD1 3.23Å; E488-L491 WeakPolarHBondContact OE2-CD1 3.36Å; L489-L491 PolarHBondContact O-N 3.31Å; L491-I493 VanDerWaalsContact C-N 3.34Å; L491-F494 HydrophobicContact CD2-CD2 4.36Å; L491-F494 PolarHBondContact O-N 2.9Å; L491-G495 PolarHBondContact O-N 3.42Å
492I94.6Very high91.4Very high41 Ų4142.5 Ų42.521%0.2123%0.23CC..Hα-helixtrans-64.5-44177-62.2-175.3000109.6F413 A416 W486 L489 P490 G495 C496F413-I492 HydrophobicContact CD1-CG2 4.36Å; F413-I492 HydrophobicContact CE1-CB 4.4Å; F413-I492 HydrophobicContact CE1-CG2 3.89Å; F413-I492 VanDerWaalsContact CE1-O 3.23Å; F413-I492 WeakPolarHBondContact CE1-O 3.24Å; A416-I492 HydrophobicContact CB-CG1 4.06Å; W486-I492 HydrophobicContact CE3-CD1 4.48Å; W486-I492 HydrophobicContact CH2-CD1 4.06Å; W486-I492 HydrophobicContact CZ3-CD1 3.47Å; W486-I492 VanDerWaalsContact CZ3-CD1 3.47Å; L489-I492 PolarHBondContact O-N 2.69Å; L489-I492 VanDerWaalsContact O-N 3.12Å; P490-I492 VanDerWaalsContact C-N 3.31Å; P490-I492 PolarHBondContact O-N 3.33Å; I492-G495 PolarHBondContact O-N 3.09Å; I492-C496 PolarHBondContact O-N 2.92Å; I492-C496 PolarHBondContact O-SG 3.45Å
493I94.8Very high91.9Very high59 Ų5942.7 Ų42.730%0.30324%0.24SC..Hα-helixtrans-66.6-44.7177.7-61.1-164.9000111.2L482 L489 P490 L491 G495 C496 L497L482-I493 HydrophobicContact CD2-CD1 3.22Å; L482-I493 HydrophobicContact CD2-CG1 4.1Å; L489-I493 PolarHBondContact O-N 3.48Å; P490-I493 PolarHBondContact O-N 3.16Å; L491-I493 VanDerWaalsContact C-N 3.34Å; I493-G495 PolarHBondContact O-N 3.3Å; I493-C496 PolarHBondContact O-N 3.2Å; I493-L497 HydrophobicContact CG2-CD1 4.04Å; I493-L497 HydrophobicContact CG2-CG 4.32Å; I493-L497 WeakPolarHBondContact O-CG 3.1Å; I493-L497 PolarHBondContact O-N 2.99Å
494F95.4Very high92.4Very high1 Ų144.3 Ų44.30%0.00425%0.245CC..Hα-helixtrans-57.8-41174.2-63.1-14.9000111.3V354 V355 L359 L478 L479 P490 L491 L497 A498V354-F494 HydrophobicContact CG1-CD1 3.91Å; V354-F494 HydrophobicContact CG1-CE1 3.73Å; V355-F494 HydrophobicContact CG1-CB 4.24Å; V355-F494 HydrophobicContact CG2-CB 3.9Å; V355-F494 HydrophobicContact CG2-CD1 4.45Å; V355-F494 HydrophobicContact CG2-CG 4.31Å; L359-F494 HydrophobicContact CD2-CD2 4.46Å; L478-F494 HydrophobicContact CB-CE1 4.48Å; L479-F494 HydrophobicContact CB-CZ 4.4Å; L479-F494 HydrophobicContact CD1-CE2 4.14Å; L479-F494 HydrophobicContact CD1-CZ 4.26Å; P490-F494 HydrophobicContact CB-CE2 4.01Å; P490-F494 HydrophobicContact CB-CZ 4.04Å; P490-F494 WeakPolarHBondContact O-CB 3.46Å; P490-F494 WeakPolarHBondContact O-CD1 3.23Å; P490-F494 WeakPolarHBondContact O-CD2 3.34Å; P490-F494 WeakPolarHBondContact O-CG 3.43Å; P490-F494 PolarHBondContact O-N 2.97Å; L491-F494 HydrophobicContact CD2-CD2 4.36Å; L491-F494 PolarHBondContact O-N 2.9Å; F494-L497 PolarHBondContact O-N 2.78Å; F494-A498 VanDerWaalsContact O-CB 3.28Å; F494-A498 WeakPolarHBondContact O-CB 3.44Å; F494-A498 PolarHBondContact O-N 2.94Å
495G95.7Very high93Very high0 Ų038.7 Ų38.70%021%0.212CC..Hα-helixtrans-57.2-53.9173.500000112.6L491 I492 I493 L497 A498 F499L491-G495 PolarHBondContact O-N 3.42Å; I492-G495 PolarHBondContact O-N 3.09Å; I493-G495 PolarHBondContact O-N 3.3Å; G495-L497 PolarHBondContact O-N 3.42Å; G495-A498 PolarHBondContact O-N 2.76Å; G495-F499 WeakPolarHBondContact O-CB 3.29Å; G495-F499 WeakPolarHBondContact O-CD2 3.35Å; G495-F499 PolarHBondContact O-N 3Å
496C96.4Very high93.5Very high60 Ų6036.3 Ų36.341%0.40519%0.194SC..Hα-helixtrans-57.9-48.9177.7-71.30000112F413 I492 I493 F499 V500F413-C496 HydrophobicContact CZ-CB 4.4Å; F413-C496 VanDerWaalsContact CZ-SG 3.59Å; I492-C496 PolarHBondContact O-N 2.92Å; I492-C496 PolarHBondContact O-SG 3.45Å; I493-C496 PolarHBondContact O-N 3.2Å; C496-F499 PolarHBondContact O-N 3.39Å; C496-V500 VanDerWaalsContact O-CG2 3.31Å; C496-V500 WeakPolarHBondContact O-CG2 3.3Å; C496-V500 PolarHBondContact O-N 2.82Å
497L96.6Very high93.9Very high34 Ų3435.2 Ų35.218%0.17820%0.197CC..Hα-helixtrans-60.6-47.9179.9-69.3174.2000111.1F347 T351 V354 I493 F494 G495 F499 V500 A501F347-L497 HydrophobicContact CE2-CD2 4.38Å; F347-L497 HydrophobicContact CZ-CD2 4.09Å; T351-L497 HydrophobicContact CG2-CB 3.84Å; V354-L497 HydrophobicContact CG1-CD1 4.09Å; I493-L497 HydrophobicContact CG2-CD1 4.04Å; I493-L497 HydrophobicContact CG2-CG 4.32Å; I493-L497 WeakPolarHBondContact O-CG 3.1Å; I493-L497 PolarHBondContact O-N 2.99Å; F494-L497 PolarHBondContact O-N 2.78Å; G495-L497 PolarHBondContact O-N 3.42Å; L497-F499 PolarHBondContact O-N 3.29Å; L497-V500 PolarHBondContact O-N 2.88Å; L497-A501 VanDerWaalsContact O-CB 3.28Å; L497-A501 WeakPolarHBondContact O-CB 3.38Å; L497-A501 PolarHBondContact O-N 2.98Å
498A96.8Very high94.3Very high0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-63.9-39.9179.400000112.6F494 G495 A501 G502F494-A498 VanDerWaalsContact O-CB 3.28Å; F494-A498 WeakPolarHBondContact O-CB 3.44Å; F494-A498 PolarHBondContact O-N 2.94Å; G495-A498 PolarHBondContact O-N 2.76Å; A498-A501 PolarHBondContact O-N 2.74Å; A498-G502 PolarHBondContact O-N 3.33Å
499F95.6Very high94.2Very high76 Ų7634.1 Ų34.133%0.33320%0.195SC..Hα-helixtrans-63-47.6175.1-102.4-79.8000112.5I406 G409 A410 F413 G495 C496 L497 A501 G502 G503I406-F499 HydrophobicContact CG1-CD1 4.45Å; I406-F499 HydrophobicContact CG2-CD1 4.31Å; I406-F499 HydrophobicContact CG2-CE1 3.71Å; I406-F499 HydrophobicContact CG2-CZ 4.15Å; G409-F499 VanDerWaalsContact C-CE2 3.44Å; A410-F499 HydrophobicContact CB-CE2 3.92Å; A410-F499 HydrophobicContact CB-CZ 3.88Å; F413-F499 AromaticContact CD2-CD2 3.87Å; F413-F499 HydrophobicContact CD2-CD2 3.87Å; F413-F499 AromaticContact CD2-CE2 3.55Å; F413-F499 HydrophobicContact CD2-CE2 3.55Å; F413-F499 AromaticContact CE2-CD2 3.35Å; F413-F499 HydrophobicContact CE2-CD2 3.35Å; F413-F499 AromaticContact CE2-CE2 3.51Å; F413-F499 HydrophobicContact CE2-CE2 3.51Å; F413-F499 HydrophobicContact CE2-CG 4.35Å; F413-F499 HydrophobicContact CZ-CD2 4.35Å; G495-F499 WeakPolarHBondContact O-CB 3.29Å; G495-F499 WeakPolarHBondContact O-CD2 3.35Å; G495-F499 PolarHBondContact O-N 3Å; C496-F499 PolarHBondContact O-N 3.39Å; L497-F499 PolarHBondContact O-N 3.29Å; F499-A501 VanDerWaalsContact C-N 3.31Å; F499-A501 PolarHBondContact O-N 2.87Å; F499-G502 PolarHBondContact O-N 2.69Å; F499-G503 PolarHBondContact O-N 3.1Å
500V97.1Very high94.1Very high79 Ų7934.6 Ų34.648%0.47920%0.196SC..Hα-helixtrans-62.2-43.2177.1173.80000109.8F347 C496 L497 G502 G503 L504F347-V500 HydrophobicContact CE1-CB 4.22Å; F347-V500 HydrophobicContact CE1-CG1 3.82Å; F347-V500 HydrophobicContact CZ-CB 4.43Å; F347-V500 HydrophobicContact CZ-CG1 4.07Å; C496-V500 VanDerWaalsContact O-CG2 3.31Å; C496-V500 WeakPolarHBondContact O-CG2 3.3Å; C496-V500 PolarHBondContact O-N 2.82Å; L497-V500 PolarHBondContact O-N 2.88Å; V500-G502 PolarHBondContact O-N 3.02Å; V500-G503 PolarHBondContact O-N 3.06Å; V500-L504 HydrophobicContact CG1-CD1 4.01Å; V500-L504 HydrophobicContact CG1-CG 4.36Å; V500-L504 WeakPolarHBondContact O-CB 3.42Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 2.97Å; V500-L504 PolarHBondContact O-N 2.95Å
501A96.2Very high93.6Very high0 Ų035.6 Ų35.60%020%0.201CC..Hα-helixtrans-59.8-47.9177.700000111.4F347 T351 L497 A498 F499 G503 L504 V505F347-A501 HydrophobicContact CD1-CB 4.09Å; F347-A501 HydrophobicContact CE1-CB 3.84Å; T351-A501 HydrophobicContact CG2-CB 3.85Å; L497-A501 VanDerWaalsContact O-CB 3.28Å; L497-A501 WeakPolarHBondContact O-CB 3.38Å; L497-A501 PolarHBondContact O-N 2.98Å; A498-A501 PolarHBondContact O-N 2.74Å; F499-A501 VanDerWaalsContact C-N 3.31Å; F499-A501 PolarHBondContact O-N 2.87Å; A501-G503 PolarHBondContact O-N 3.35Å; A501-L504 PolarHBondContact O-N 2.93Å; A501-V505 WeakPolarHBondContact O-CG2 3.45Å; A501-V505 PolarHBondContact O-N 3.35Å
502G95.6Very high92.9Very high0 Ų040.7 Ų40.70%022%0.221CC..Hα-helixtrans-61.6-41.9176.300000113.4N405 A498 F499 V500 L504 V505 L506N405-G502 VanDerWaalsContact CB-CA 3.48Å; A498-G502 PolarHBondContact O-N 3.33Å; F499-G502 PolarHBondContact O-N 2.69Å; V500-G502 PolarHBondContact O-N 3.02Å; G502-L504 PolarHBondContact O-N 3.46Å; G502-V505 PolarHBondContact O-N 3.05Å; G502-L506 PolarHBondContact O-N 2.95Å
503G95.5Very high91.6Very high36 Ų3642.6 Ų42.637%0.37125%0.25SS..Hα-helixtrans-62.1-40.4174.100000112.8F499 V500 A501 L506F499-G503 PolarHBondContact O-N 3.1Å; V500-G503 PolarHBondContact O-N 3.06Å; A501-G503 PolarHBondContact O-N 3.35Å; G503-L506 WeakPolarHBondContact O-CB 3.2Å; G503-L506 PolarHBondContact O-N 3.13Å
504L95.6Very high90.6Very high53 Ų5343.8 Ų43.828%0.27726%0.26SS..Hα-helixtrans-68.2-35175.6-70.4174.7000112.5I344 F347 V500 A501 G502 L506 L507I344-L504 HydrophobicContact CG1-CB 4.3Å; I344-L504 HydrophobicContact CG2-CB 4.01Å; F347-L504 HydrophobicContact CD1-CD1 3.68Å; F347-L504 HydrophobicContact CE1-CD1 4.1Å; F347-L504 HydrophobicContact CG-CD1 4.35Å; V500-L504 HydrophobicContact CG1-CD1 4.01Å; V500-L504 HydrophobicContact CG1-CG 4.36Å; V500-L504 WeakPolarHBondContact O-CB 3.42Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 2.97Å; V500-L504 PolarHBondContact O-N 2.95Å; A501-L504 PolarHBondContact O-N 2.93Å; G502-L504 PolarHBondContact O-N 3.46Å; L504-L506 PolarHBondContact O-N 3.43Å; L504-L507 HydrophobicContact CD2-CD1 4.02Å; L504-L507 VanDerWaalsContact O-CB 3.29Å; L504-L507 WeakPolarHBondContact O-CB 3.03Å; L504-L507 PolarHBondContact O-N 2.84Å
505V94.4Very high89.3Confident0 Ų047.3 Ų47.30%028%0.283CS..Hα-helixtrans-60.7-33.8174.3171.20000111.5N348 F401 A402 A501 G502 L507 L508N348-V505 WeakPolarHBondContact ND2-CG2 3.4Å; N348-V505 VanDerWaalsContact OD1-CG2 3.29Å; N348-V505 WeakPolarHBondContact OD1-CG2 3.45Å; F401-V505 HydrophobicContact CB-CG1 4.06Å; F401-V505 HydrophobicContact CD1-CB 4.24Å; F401-V505 HydrophobicContact CD1-CG1 3.32Å; F401-V505 HydrophobicContact CD1-CG2 3.78Å; F401-V505 HydrophobicContact CD2-CG2 4.31Å; F401-V505 HydrophobicContact CE1-CB 4.25Å; F401-V505 HydrophobicContact CE1-CG1 3.77Å; F401-V505 HydrophobicContact CE1-CG2 3.36Å; F401-V505 HydrophobicContact CE2-CG2 3.89Å; F401-V505 HydrophobicContact CG-CG1 3.74Å; F401-V505 HydrophobicContact CG-CG2 4.21Å; F401-V505 HydrophobicContact CZ-CG1 4.48Å; F401-V505 HydrophobicContact CZ-CG2 3.39Å; A402-V505 HydrophobicContact CB-CB 4.15Å; A402-V505 HydrophobicContact CB-CG1 3.89Å; A501-V505 WeakPolarHBondContact O-CG2 3.45Å; A501-V505 PolarHBondContact O-N 3.35Å; G502-V505 PolarHBondContact O-N 3.05Å; V505-L507 PolarHBondContact O-N 3.18Å; V505-L508 HydrophobicContact CG1-CD1 4.45Å; V505-L508 WeakPolarHBondContact O-CB 3.11Å; V505-L508 PolarHBondContact O-N 2.64Å
506L93.1Very high88.3Confident67 Ų6751.4 Ų51.435%0.35130%0.304SS..THydrogen-bonded Turntrans-62.4-14.7173.8-63.5174.9000112.8R398 L399 A402 G502 G503 L504R398-L506 PolarHBondContact NE-O 3.01Å; R398-L506 VanDerWaalsContact NE-O 3.12Å; R398-L506 PolarHBondContact NH2-O 3.06Å; L399-L506 HydrophobicContact CD2-CD2 4.42Å; A402-L506 HydrophobicContact CB-CD2 3.44Å; A402-L506 VanDerWaalsContact CB-CD2 3.44Å; A402-L506 HydrophobicContact CB-CG 3.81Å; G502-L506 PolarHBondContact O-N 2.95Å; G503-L506 WeakPolarHBondContact O-CB 3.2Å; G503-L506 PolarHBondContact O-N 3.13Å; L504-L506 PolarHBondContact O-N 3.43Å
507L92.3Very high87.2Confident93 Ų9349.5 Ų49.549%0.48729%0.292SS..THydrogen-bonded Turntrans-88-4.8175.4-58.8175000113.6K340 I344 L504 V505K340-L507 PolarHBondContact NZ-O 2.93Å; I344-L507 HydrophobicContact CD1-CB 4.08Å; L504-L507 HydrophobicContact CD2-CD1 4.02Å; L504-L507 VanDerWaalsContact O-CB 3.29Å; L504-L507 WeakPolarHBondContact O-CB 3.03Å; L504-L507 PolarHBondContact O-N 2.84Å; V505-L507 PolarHBondContact O-N 3.18Å
508L90.7Very high85.9Confident5 Ų552.9 Ų52.93%0.02631%0.31CS..SBendtrans-82.1152.4176.4-64176.1000111.5H341 I344 L345 R398 F401 V447 L451 V505H341-L508 HydrophobicContact CB-CD2 4.46Å; I344-L508 HydrophobicContact CB-CD2 4.13Å; I344-L508 HydrophobicContact CD1-CD2 3.9Å; I344-L508 HydrophobicContact CD1-CG 4.38Å; I344-L508 HydrophobicContact CG2-CD1 3.87Å; I344-L508 HydrophobicContact CG2-CD2 3.99Å; I344-L508 HydrophobicContact CG2-CG 3.91Å; L345-L508 HydrophobicContact CD2-CD1 4.25Å; R398-L508 WeakPolarHBondContact CD-O 3.38Å; R398-L508 PolarHBondContact NE-O 2.93Å; R398-L508 VanDerWaalsContact NE-O 3.12Å; F401-L508 HydrophobicContact CE1-CD1 4.44Å; V447-L508 HydrophobicContact CG1-CD1 4.37Å; L451-L508 HydrophobicContact CD1-CD1 4.15Å; L451-L508 HydrophobicContact CD1-CD2 4.09Å; V505-L508 HydrophobicContact CG1-CD1 4.45Å; V505-L508 WeakPolarHBondContact O-CB 3.11Å; V505-L508 PolarHBondContact O-N 2.64Å
509P87.4Confident85Confident58 Ų5855.9 Ų55.938%0.37733%0.328SS..PPolyproline II helixtrans-72.7156.8172.630.7-33.4000111.4H341 L451H341-P509 VanDerWaalsContact NE2-CD 3.31Å; H341-P509 WeakPolarHBondContact NE2-CD 3.08Å; L451-P509 HydrophobicContact CD2-CG 3.64Å
510E86.7Confident84.2Confident63 Ų6353.5 Ų53.529%0.29432%0.318SS..PPolyproline II helixtrans-80.4134.1171.6179.956.8-110.500109.8R397 R398 R512R397-E510 PolarHBondContact N-OE1 3.3Å; R397-E510 PolarHBondContact N-OE2 3Å; R398-E510 VanDerWaalsContact CB-OE2 3.26Å; R398-E510 WeakPolarHBondContact CB-OE2 3.36Å; R398-E510 PolarHBondContact N-OE2 3.36Å; R398-E510 VanDerWaalsContact N-OE2 3.09Å; E510-R512 HydrophobicContact CG-CB 4.17Å; E510-R512 WeakPolarHBondContact OE1-CB 3.37Å; E510-R512 PolarHBondContact OE1-N 3.14Å; E510-R512 VanDerWaalsContact OE1-N 3.08Å
511T82.4Confident83.2Confident21 Ų2154.7 Ų54.713%0.12932%0.322CS..  trans-102.2-10.1-176.357.20000113E450 L451 G513 V514E450-T511 HydrophobicContact CB-CG2 4.03Å; E450-T511 VanDerWaalsContact OE2-CB 3.27Å; E450-T511 WeakPolarHBondContact OE2-CB 3.31Å; E450-T511 PolarHBondContact OE2-OG1 2.82Å; L451-T511 HydrophobicContact CD2-CG2 3.79Å; L451-T511 HydrophobicContact CG-CG2 4.2Å; T511-G513 PolarHBondContact O-N 2.9Å; T511-V514 PolarHBondContact O-N 3.43Å
512R79.1Confident82.2Confident109 Ų10956.3 Ų56.341%0.41133%0.331SS..THydrogen-bonded Turntrans-61.8121.3-179.6178.9173.3174.2-1577.2112.4E393 R394 E510 V514E393-R512 PolarHBondContact O-NE 3.24Å; E393-R512 VanDerWaalsContact O-NE 3.07Å; E393-R512 PolarHBondContact O-NH2 3.38Å; R394-R512 VanDerWaalsContact O-CZ 3.3Å; R394-R512 PolarHBondContact O-NH1 2.89Å; R394-R512 PolarHBondContact O-NH2 3.48Å; E510-R512 HydrophobicContact CG-CB 4.17Å; E510-R512 WeakPolarHBondContact OE1-CB 3.37Å; E510-R512 PolarHBondContact OE1-N 3.14Å; E510-R512 VanDerWaalsContact OE1-N 3.08Å; R512-V514 PolarHBondContact O-N 3.18Å
513G66.6Low81.5Confident80 Ų8057.1 Ų57.183%0.82534%0.335SS*.THydrogen-bonded Turntrans72.49.4174.700000114.1T511T511-G513 PolarHBondContact O-N 2.9Å
514V73.6Confident80.8Confident85 Ų8556.3 Ų56.352%0.51532%0.322SS..PPolyproline II helixtrans-96.7133.4174.7-174.20000107.8T511 R512T511-V514 PolarHBondContact O-N 3.43Å; R512-V514 PolarHBondContact O-N 3.18Å
515P68.9Low80.1Confident75 Ų7558.5 Ų58.549%0.48733%0.329SS..PPolyproline II helixtrans-59.4147.4173.326-33.9000110.1
516L73.8Confident79Confident85 Ų8561.3 Ų61.345%0.44535%0.347SS..PPolyproline II helixtrans-61139177.3-71.1165.9000109.6E450 D518E450-L516 HydrophobicContact CB-CD2 4.28Å; E450-L516 HydrophobicContact CG-CD2 4.36Å; L516-D518 PolarHBondContact O-N 3.26Å
517P72.6Confident78Confident21 Ų2165.4 Ų65.414%0.13637%0.365CS..PPolyproline II helixtrans-65.6137.6176.725.3-30.2000109.7P453 T454 D522 I523P453-P517 WeakPolarHBondContact CA-O 3.47Å; P453-P517 HydrophobicContact CB-CB 4.35Å; T454-P517 PolarHBondContact N-O 3.48Å; T454-P517 VanDerWaalsContact N-O 3.17Å; T454-P517 PolarHBondContact OG1-O 3.18Å; P517-D522 HydrophobicContact CB-CB 4.24Å; P517-I523 HydrophobicContact CB-CD1 3.94Å; P517-I523 HydrophobicContact CB-CG1 3.7Å; P517-I523 HydrophobicContact CG-CD1 3.92Å; P517-I523 HydrophobicContact CG-CG1 4.04Å
518D70.4Confident76.7Confident105 Ų10568.6 Ų68.656%0.56137%0.37SS*.  trans-99.3-32.4175.4-72.2-38.3000110.8T454 F455 L516 D522T454-D518 PolarHBondContact OG1-OD1 2.05Å; F455-D518 WeakPolarHBondContact CD1-O 3.14Å; L516-D518 PolarHBondContact O-N 3.26Å; D518-D522 PolarHBondContact N-OD2 2.02Å
519T77.4Confident75.5Confident62 Ų6269.8 Ų69.838%0.3838%0.377SS..SBendtrans-123.4161.9-179.567.80000112.7D521 D522T519-D521 PolarHBondContact O-N 2.82Å; T519-D522 PolarHBondContact N-OD2 2.95Å; T519-D522 WeakPolarHBondContact O-CB 3.06Å; T519-D522 PolarHBondContact O-N 2.98Å; T519-D522 PolarHBondContact OG1-N 3.24Å; T519-D522 PolarHBondContact OG1-OD1 3.21Å; T519-D522 PolarHBondContact OG1-OD2 2.01Å
520I79.2Confident74.4Confident26 Ų2674.1 Ų74.113%0.13339%0.39CS..Hα-helixtrans-64.7-33.5173-69168.8000110.9D331 T335 M338 P453 F455 D522 I523 E524D331-I520 HydrophobicContact CB-CD1 4.02Å; T335-I520 HydrophobicContact CG2-CG2 3.85Å; M338-I520 HydrophobicContact CG-CG2 3.92Å; P453-I520 HydrophobicContact CG-CG1 4.01Å; F455-I520 HydrophobicContact CE1-CG1 4.18Å; F455-I520 HydrophobicContact CZ-CD1 3.7Å; F455-I520 HydrophobicContact CZ-CG1 3.77Å; I520-D522 VanDerWaalsContact C-N 3.25Å; I520-D522 PolarHBondContact O-N 3.11Å; I520-I523 WeakPolarHBondContact O-CB 3.41Å; I520-I523 PolarHBondContact O-N 3.13Å; I520-E524 HydrophobicContact CG2-CG 4.3Å; I520-E524 PolarHBondContact O-N 3.24Å; I520-E524 VanDerWaalsContact O-N 3.08Å
521D76Confident73.4Confident104 Ų10477.2 Ų77.256%0.55641%0.405SS*.Hα-helixtrans-63.9-31.4178.8-71.2-24.8000112.4T519 I523 E524 F525T519-D521 PolarHBondContact O-N 2.82Å; D521-I523 PolarHBondContact O-N 3.05Å; D521-E524 PolarHBondContact O-N 3.49Å; D521-F525 PolarHBondContact O-N 3.22Å
522D75.5Confident72.5Confident34 Ų3482.5 Ų82.518%0.18243%0.426CS..Hα-helixtrans-62.5-30.6175.1-62.5-38.2000111.9P517 D518 T519 I520 V529P517-D522 HydrophobicContact CB-CB 4.24Å; D518-D522 PolarHBondContact N-OD2 2.02Å; T519-D522 PolarHBondContact N-OD2 2.95Å; T519-D522 WeakPolarHBondContact O-CB 3.06Å; T519-D522 PolarHBondContact O-N 2.98Å; T519-D522 PolarHBondContact OG1-N 3.24Å; T519-D522 PolarHBondContact OG1-OD1 3.21Å; T519-D522 PolarHBondContact OG1-OD2 2.01Å; I520-D522 VanDerWaalsContact C-N 3.25Å; I520-D522 PolarHBondContact O-N 3.11Å; D522-V529 HydrophobicContact CB-CG2 3.64Å; D522-V529 WeakPolarHBondContact OD1-CG2 3.44Å
523I80.6Confident71.7Confident17 Ų1779.6 Ų79.69%0.08742%0.421CS..Hα-helixtrans-82.6-40.5179.4-61.5170.3000110.4K337 M338 L451 P453 P517 I520 D521K337-I523 HydrophobicContact CB-CG2 4.32Å; K337-I523 VanDerWaalsContact CD-O 3.31Å; K337-I523 WeakPolarHBondContact CD-O 3.13Å; M338-I523 HydrophobicContact CE-CD1 4.39Å; M338-I523 HydrophobicContact CG-CG2 4.31Å; M338-I523 HydrophobicContact SD-CB 4.16Å; M338-I523 HydrophobicContact SD-CD1 3.29Å; M338-I523 WeakPolarHBondContact SD-CD1 3.19Å; M338-I523 HydrophobicContact SD-CG1 4.3Å; M338-I523 HydrophobicContact SD-CG2 3.85Å; L451-I523 WeakPolarHBondContact O-CD1 2.97Å; P453-I523 HydrophobicContact CB-CD1 4.36Å; P453-I523 VanDerWaalsContact CD-CD1 3.48Å; P453-I523 HydrophobicContact CG-CD1 3.83Å; P517-I523 HydrophobicContact CB-CD1 3.94Å; P517-I523 HydrophobicContact CB-CG1 3.7Å; P517-I523 HydrophobicContact CG-CD1 3.92Å; P517-I523 HydrophobicContact CG-CG1 4.04Å; I520-I523 WeakPolarHBondContact O-CB 3.41Å; I520-I523 PolarHBondContact O-N 3.13Å; D521-I523 PolarHBondContact O-N 3.05Å
524E81.4Confident71.7Confident20 Ų2083 Ų839%0.09341%0.413CS..Hα-helixtrans-71.1-34.7178.3-66.3-59.6156.300112.5T335 K337 M338 I520 D521 P526T335-E524 WeakPolarHBondContact CB-OE1 3.42Å; T335-E524 HydrophobicContact CG2-CG 4.29Å; T335-E524 PolarHBondContact OG1-OE1 3.45Å; K337-E524 WeakPolarHBondContact CA-OE1 2.94Å; K337-E524 WeakPolarHBondContact CB-OE1 3.25Å; K337-E524 WeakPolarHBondContact CB-OE2 3.33Å; K337-E524 WeakPolarHBondContact CG-OE2 3.24Å; K337-E524 PolarHBondContact N-OE1 2.8Å; K337-E524 PolarHBondContact N-OE2 3.36Å; K337-E524 PolarHBondContact NZ-O 2.93Å; M338-E524 PolarHBondContact N-OE1 2.99Å; M338-E524 VanDerWaalsContact N-OE1 3.12Å; I520-E524 HydrophobicContact CG2-CG 4.3Å; I520-E524 PolarHBondContact O-N 3.24Å; I520-E524 VanDerWaalsContact O-N 3.08Å; D521-E524 PolarHBondContact O-N 3.49Å; E524-P526 VanDerWaalsContact C-CD 3.5Å; E524-P526 WeakPolarHBondContact O-CD 3.32Å
525F80.6Confident71.4Confident99 Ų9983.6 Ų83.643%0.43441%0.412SS..  trans-125.168.2-176.9-55-76000113D521 E527 R528D521-F525 PolarHBondContact O-N 3.22Å; F525-E527 PolarHBondContact O-N 3.43Å; F525-E527 VanDerWaalsContact O-N 3.1Å; F525-R528 HydrophobicContact CB-CG 4.26Å; F525-R528 PolarHBondContact O-N 3.04Å; F525-R528 VanDerWaalsContact O-N 3.14Å
526P71.7Confident71.3Confident58 Ų5886 Ų8638%0.37742%0.417SS..Hα-helixtrans-64.7-20.5-173.725.1-34.3000114.2K337 E524 V529 K530K337-P526 VanDerWaalsContact NZ-CD 3.33Å; E524-P526 VanDerWaalsContact C-CD 3.5Å; E524-P526 WeakPolarHBondContact O-CD 3.32Å; P526-V529 PolarHBondContact O-N 3.45Å; P526-K530 PolarHBondContact O-N 3.37Å
527E70.4Confident71Confident154 Ų15486.1 Ų86.172%0.7242%0.421SS*.Hα-helixtrans-69.1-37176.5-61.9-162.2166.600112.5F525 V529 K530 E531F525-E527 PolarHBondContact O-N 3.43Å; F525-E527 VanDerWaalsContact O-N 3.1Å; E527-V529 VanDerWaalsContact C-N 3.28Å; E527-V529 PolarHBondContact O-N 3.41Å; E527-K530 PolarHBondContact O-N 2.89Å; E527-E531 PolarHBondContact O-N 3.29Å
528R66.1Low70.7Confident160 Ų16091 Ų9160%0.60444%0.442SS*.Hα-helixtrans-65.6-33.2177.1-67.1-178.4178.1176.3-1.2111.9F525 K532F525-R528 HydrophobicContact CB-CG 4.26Å; F525-R528 PolarHBondContact O-N 3.04Å; F525-R528 VanDerWaalsContact O-N 3.14Å; R528-K532 WeakPolarHBondContact O-CG 3.23Å; R528-K532 PolarHBondContact O-N 3.08Å
529V64.8Low70.5Confident29 Ų2991.4 Ų91.418%0.17644%0.441CS..Hα-helixtrans-68.3-46.4175.1-176.20000110.4D522 P526 E527 E531 K532 T533D522-V529 HydrophobicContact CB-CG2 3.64Å; D522-V529 WeakPolarHBondContact OD1-CG2 3.44Å; P526-V529 PolarHBondContact O-N 3.45Å; E527-V529 VanDerWaalsContact C-N 3.28Å; E527-V529 PolarHBondContact O-N 3.41Å; V529-E531 VanDerWaalsContact C-N 3.27Å; V529-E531 PolarHBondContact O-N 2.97Å; V529-K532 PolarHBondContact O-N 3.01Å; V529-K532 VanDerWaalsContact O-N 3.14Å; V529-T533 PolarHBondContact O-N 3.23Å; V529-T533 PolarHBondContact O-OG1 2.62Å
530K63.9Low70Confident150 Ų15094 Ų9465%0.65245%0.452SS*.Hα-helixtrans-59.1-37.9176.6-73.8179.6179.7178.40112.3P526 E527 K534P526-K530 PolarHBondContact O-N 3.37Å; E527-K530 PolarHBondContact O-N 2.89Å; K530-K534 WeakPolarHBondContact O-CB 3.45Å; K530-K534 VanDerWaalsContact O-CG 3.32Å; K530-K534 WeakPolarHBondContact O-CG 3.45Å; K530-K534 PolarHBondContact O-N 2.8Å
531E65.7Low69.4Low127 Ų12795.7 Ų95.759%0.59347%0.47SS*.Hα-helixtrans-65.9-46.8173.5-74.3-178.2159.800112.2E527 V529 T533 K534 L535E527-E531 PolarHBondContact O-N 3.29Å; V529-E531 VanDerWaalsContact C-N 3.27Å; V529-E531 PolarHBondContact O-N 2.97Å; E531-T533 PolarHBondContact O-N 3Å; E531-K534 PolarHBondContact O-N 2.9Å; E531-L535 WeakPolarHBondContact O-CB 3.43Å; E531-L535 PolarHBondContact O-N 2.96Å
532K63.7Low69Low132 Ų13297.3 Ų97.357%0.57448%0.478SS*.Hα-helixtrans-58.6-44.9175.4-78.8-179.2179.1178.60112.5R528 V529 L535 Q536R528-K532 WeakPolarHBondContact O-CG 3.23Å; R528-K532 PolarHBondContact O-N 3.08Å; V529-K532 PolarHBondContact O-N 3.01Å; V529-K532 VanDerWaalsContact O-N 3.14Å; K532-L535 PolarHBondContact O-N 3.06Å; K532-Q536 PolarHBondContact O-N 3.41Å
533T63.9Low68.3Low49 Ų49102.2 Ų102.230%0.30150%0.504SS..Hα-helixtrans-66.1-39.9178.6-49.80000111.5V529 E531 Q536 T537V529-T533 PolarHBondContact O-N 3.23Å; V529-T533 PolarHBondContact O-OG1 2.62Å; E531-T533 PolarHBondContact O-N 3Å; T533-Q536 PolarHBondContact O-N 3.04Å; T533-T537 WeakPolarHBondContact O-CB 3.23Å; T533-T537 PolarHBondContact O-N 2.81Å; T533-T537 PolarHBondContact O-OG1 2.77Å
534K66.4Low66.9Low152 Ų152107.1 Ų107.166%0.66153%0.53SS*.Hα-helixtrans-61.8-44.1173.7-79.7-179.6179.9-176.80111.9K530 E531 T537 Q538K530-K534 WeakPolarHBondContact O-CB 3.45Å; K530-K534 VanDerWaalsContact O-CG 3.32Å; K530-K534 WeakPolarHBondContact O-CG 3.45Å; K530-K534 PolarHBondContact O-N 2.8Å; E531-K534 PolarHBondContact O-N 2.9Å; K534-T537 PolarHBondContact O-N 3.14Å; K534-Q538 WeakPolarHBondContact O-CB 3.1Å; K534-Q538 PolarHBondContact O-N 3.4Å
535L67.4Low65.2Low96 Ų96111.5 Ų111.550%0.50356%0.56SS.*Hα-helixtrans-61.5-46175.8-82.6156.8000111.8E531 K532 Q538 Q539E531-L535 WeakPolarHBondContact O-CB 3.43Å; E531-L535 PolarHBondContact O-N 2.96Å; K532-L535 PolarHBondContact O-N 3.06Å; L535-Q538 PolarHBondContact O-N 3.18Å; L535-Q539 WeakPolarHBondContact O-CB 3.05Å; L535-Q539 VanDerWaalsContact O-CG 3.3Å; L535-Q539 WeakPolarHBondContact O-CG 3.33Å; L535-Q539 PolarHBondContact O-N 3.26Å
536Q66.1Low63.5Low127 Ų127114.1 Ų114.159%0.59358%0.578SS**Hα-helixtrans-63.2-41.1175.8-80.2178.4-28.500112.4K532 T533 Q539 L540K532-Q536 PolarHBondContact O-N 3.41Å; T533-Q536 PolarHBondContact O-N 3.04Å; Q536-Q539 PolarHBondContact O-N 3.38Å; Q536-L540 WeakPolarHBondContact O-CB 3.49Å; Q536-L540 PolarHBondContact O-N 2.68Å
537T67.3Low61.9Low87 Ų87116.7 Ų116.753%0.53460%0.598SS.*Hα-helixtrans-66.9-38.8178.1-48.30000111T533 K534 L540 A541T533-T537 WeakPolarHBondContact O-CB 3.23Å; T533-T537 PolarHBondContact O-N 2.81Å; T533-T537 PolarHBondContact O-OG1 2.77Å; K534-T537 PolarHBondContact O-N 3.14Å; T537-L540 PolarHBondContact O-N 3.17Å; T537-A541 VanDerWaalsContact O-CB 3.29Å; T537-A541 WeakPolarHBondContact O-CB 3.48Å; T537-A541 PolarHBondContact O-N 3.05Å
538Q66Low60.1Low122 Ų122115.8 Ų115.857%0.5760%0.598SS**Hα-helixtrans-65.4-41.7172.2-85.4179.1-34.100112.3K534 L535 A541 N542K534-Q538 WeakPolarHBondContact O-CB 3.1Å; K534-Q538 PolarHBondContact O-N 3.4Å; L535-Q538 PolarHBondContact O-N 3.18Å; Q538-A541 PolarHBondContact O-N 3.18Å; Q538-N542 WeakPolarHBondContact O-CB 3.21Å; Q538-N542 PolarHBondContact O-N 3.15Å; Q538-N542 PolarHBondContact O-ND2 2.95Å
539Q67Low58.7Low115 Ų115115.6 Ų115.654%0.53761%0.614SS.*Hα-helixtrans-64.6-41.3175.5-75.6174-17.500111.7L535 Q536 N542 L543L535-Q539 WeakPolarHBondContact O-CB 3.05Å; L535-Q539 VanDerWaalsContact O-CG 3.3Å; L535-Q539 WeakPolarHBondContact O-CG 3.33Å; L535-Q539 PolarHBondContact O-N 3.26Å; Q536-Q539 PolarHBondContact O-N 3.38Å; Q539-N542 PolarHBondContact O-N 3.21Å; Q539-L543 WeakPolarHBondContact O-CB 3.37Å; Q539-L543 WeakPolarHBondContact O-CD1 3.35Å; Q539-L543 VanDerWaalsContact O-CG 3.26Å; Q539-L543 WeakPolarHBondContact O-CG 3.32Å; Q539-L543 PolarHBondContact O-N 3.45Å
540L66.9Low57.4Low115 Ų115118.7 Ų118.760%0.60264%0.637SS**Hα-helixtrans-65.7-40.1176-154.587.8000111.6Q536 T537 N542 L543 L544Q536-L540 WeakPolarHBondContact O-CB 3.49Å; Q536-L540 PolarHBondContact O-N 2.68Å; T537-L540 PolarHBondContact O-N 3.17Å; L540-N542 VanDerWaalsContact C-N 3.31Å; L540-N542 PolarHBondContact O-N 2.99Å; L540-L543 PolarHBondContact O-N 2.84Å; L540-L544 PolarHBondContact O-N 3.42Å
541A67Low55.9Low62 Ų62116.9 Ų116.951%0.51264%0.643SS.*Hα-helixtrans-64.8-34.2174.300000112.4T537 Q538T537-A541 VanDerWaalsContact O-CB 3.29Å; T537-A541 WeakPolarHBondContact O-CB 3.48Å; T537-A541 PolarHBondContact O-N 3.05Å; Q538-A541 PolarHBondContact O-N 3.18Å
542N66.9Low54.2Low138 Ų138116.8 Ų116.874%0.73866%0.655SS**Hα-helixtrans-76.8-20.7175.4-69.2-18000113.4Q538 Q539 L540Q538-N542 WeakPolarHBondContact O-CB 3.21Å; Q538-N542 PolarHBondContact O-N 3.15Å; Q538-N542 PolarHBondContact O-ND2 2.95Å; Q539-N542 PolarHBondContact O-N 3.21Å; L540-N542 VanDerWaalsContact C-N 3.31Å; L540-N542 PolarHBondContact O-N 2.99Å
543L61.3Low52.8Low137 Ų137120.5 Ų120.572%0.71767%0.671SS**Hα-helixtrans-87.7-17.7178.1-76.3165.2000113.4Q539 L540 P545Q539-L543 WeakPolarHBondContact O-CB 3.37Å; Q539-L543 WeakPolarHBondContact O-CD1 3.35Å; Q539-L543 VanDerWaalsContact O-CG 3.26Å; Q539-L543 WeakPolarHBondContact O-CG 3.32Å; Q539-L543 PolarHBondContact O-N 3.45Å; L540-L543 PolarHBondContact O-N 2.84Å; L543-P545 WeakPolarHBondContact O-CD 3.45Å
544L49.6Very low51.5Low121 Ų121131 Ų13163%0.63472%0.717SS**SBendtrans-78.3113.7167.1-72167.1000107.7L540 N546L540-L544 PolarHBondContact O-N 3.42Å; L544-N546 PolarHBondContact O-N 3.26Å
545P46.6Very low50.7Low111 Ų111130 Ų13072%0.72172%0.72SS**  trans-59.2135.9174.4-11.724.7000107.9L543 S547L543-P545 WeakPolarHBondContact O-CD 3.45Å; P545-S547 VanDerWaalsContact C-N 3.26Å; P545-S547 PolarHBondContact O-N 3.28Å
546N44.1Very low49.8Very low154 Ų154131.7 Ų131.782%0.82473%0.731SS**  trans-51.394.4164.2-78.6-29.3000108.6L544 N548L544-N546 PolarHBondContact O-N 3.26Å; N546-N548 VanDerWaalsContact C-N 3.28Å; N546-N548 PolarHBondContact O-N 3.49Å
547S37.9Very low48.9Very low112 Ų112132 Ų13278%0.78374%0.739SS**  trans-68.8100.1160.745.60000105.4P545 V549P545-S547 VanDerWaalsContact C-N 3.26Å; P545-S547 PolarHBondContact O-N 3.28Å; S547-V549 PolarHBondContact O-N 3.24Å; S547-V549 VanDerWaalsContact O-N 3.07Å
548N34.2Very low47.9Very low136 Ų136134.6 Ų134.673%0.72775%0.751SS**  trans-38.7116.3174.2-74.1-32.4000110.5N546 S550N546-N548 VanDerWaalsContact C-N 3.28Å; N546-N548 PolarHBondContact O-N 3.49Å; N548-S550 PolarHBondContact O-N 3.26Å
549V37.1Very low46.7Very low156 Ų156135.4 Ų135.495%0.94576%0.762SS**  trans-66.586.3158178.40000106.2S547S547-V549 PolarHBondContact O-N 3.24Å; S547-V549 VanDerWaalsContact O-N 3.07Å
550S35.5Very low45.4Very low93 Ų93136.8 Ų136.865%0.6578%0.777SS**  trans-136.5125.1163.3580000109.4N548N548-S550 PolarHBondContact O-N 3.26Å
551S32.6Very low43.8Very low113 Ų113138.4 Ų138.479%0.7979%0.79SS**  trans84.499.4171.4-166.70000117.6
552C30.8Very low42.1Very low125 Ų125144.2 Ų144.285%0.84581%0.811SS**  -175.284.2109.9-92.70000109.6
553K34.4Very low40Very low210 Ų210144.8 Ų144.891%0.91382%0.817SS**  trans-100.9108.4144.2-88.8-174176.1-178.40105.2
554E35.8Very low38Very low269 Ų269145.5 Ų145.5100%1.25783%0.826SS**  trans-163.30139.7-106175-166.600108.2

Retrieved 554 of 554 residues in 2626.2 ms (Link to these results)

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