A0A077Z6I6_TRITR Loading...

Methionine synthase

Catalyzes the transfer of a methyl group from methyl-cobalamin to homocysteine, yielding enzyme-bound cob(I)alamin and methionine. Subsequently, remethylates the cofactor using methyltetrahydrofolate.

AlphaFold DB , UniProt , Accession A0A077Z6I6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,267 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
1M46.8Very low75.8Confident168 Ų16875.4 Ų75.483%0.82840%0.403SS*.  0135.80-80.5174.1179.600107.6Q5M1-Q5 HydrophobicContact CB-CB 4.23Å; M1-Q5 HydrophobicContact CG-CB 4.38Å
2S60.7Low77.3Confident63 Ų6380.6 Ų80.644%0.44141%0.413SS..  trans-64.1158.616763.20000109.8A4 Q5 S6S2-A4 PolarHBondContact O-N 2.77Å; S2-Q5 PolarHBondContact O-N 3.28Å; S2-Q5 WeakPolarHBondContact OG-CG 3.34Å; S2-Q5 PolarHBondContact OG-N 3.47Å; S2-S6 PolarHBondContact O-N 3.05Å
3V62.6Low78.7Confident114 Ų11479.9 Ų79.969%0.69141%0.407SS*.Hα-helixtrans-54.1-39174.9175.40000111S6 R7V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 3.45Å; V3-R7 PolarHBondContact O-N 3.16Å
4A60.5Low79.9Confident48 Ų4875.8 Ų75.840%0.39739%0.387SS..Hα-helixtrans-60.6-47.8176.700000113.1S2 S6 R7 E8S2-A4 PolarHBondContact O-N 2.77Å; A4-S6 PolarHBondContact O-N 3.15Å; A4-R7 PolarHBondContact O-N 2.98Å; A4-R7 VanDerWaalsContact O-N 3.16Å; A4-E8 PolarHBondContact O-N 3.25Å
5Q66.8Low81Confident107 Ų10770.7 Ų70.750%0.536%0.362SS..Hα-helixtrans-62.4-32.8177-75.1173.5-19.600112.5M1 S2 R9M1-Q5 HydrophobicContact CB-CB 4.23Å; M1-Q5 HydrophobicContact CG-CB 4.38Å; S2-Q5 PolarHBondContact O-N 3.28Å; S2-Q5 WeakPolarHBondContact OG-CG 3.34Å; S2-Q5 PolarHBondContact OG-N 3.47Å; Q5-R9 WeakPolarHBondContact O-CB 3.37Å; Q5-R9 PolarHBondContact O-N 2.87Å
6S80.1Confident81.8Confident59 Ų5969.4 Ų69.441%0.41336%0.361SS..Hα-helixtrans-68.8-41.3175.3-177.10000111.9S2 V3 A4 S10S2-S6 PolarHBondContact O-N 3.05Å; V3-S6 WeakPolarHBondContact O-CB 3.29Å; V3-S6 PolarHBondContact O-N 3.45Å; A4-S6 PolarHBondContact O-N 3.15Å; S6-S10 WeakPolarHBondContact O-CB 3.29Å; S6-S10 PolarHBondContact O-N 2.87Å
7R88Confident82.6Confident27 Ų2774.2 Ų74.210%0.10238%0.381CS..Hα-helixtrans-70-43.7177.7-74.6-169.6171.1-92.70.9112.3V3 A4 R9 S10 L11 D119 E122 K129 F130 D178V3-R7 PolarHBondContact O-N 3.16Å; A4-R7 PolarHBondContact O-N 2.98Å; A4-R7 VanDerWaalsContact O-N 3.16Å; R7-R9 PolarHBondContact O-N 3.44Å; R7-S10 WeakPolarHBondContact O-CB 3.26Å; R7-S10 PolarHBondContact O-N 2.73Å; R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 PolarHBondContact O-N 3.3Å; R7-D119 IonicContact NH2-OD1 2.7Å; R7-E122 IonicContact CZ-OE2 3.98Å; R7-E122 IonicContact NH1-OE2 3.2Å; R7-E122 IonicContact NH2-OE2 3.5Å; R7-E122 PolarHBondContact NH2-OE2 3.36Å; R7-K129 PolarHBondContact NH1-O 3.42Å; R7-F130 HydrophobicContact CB-CE1 4.39Å; R7-F130 WeakPolarHBondContact O-CE1 3.41Å; R7-D178 WeakPolarHBondContact CD-OD1 3.32Å; R7-D178 IonicContact NE-OD1 2.95Å; R7-D178 IonicContact NH1-OD2 3.58Å
8E89.8Confident83.3Confident79 Ų7975.2 Ų75.237%0.36938%0.379SS..Hα-helixtrans-56.2-48.5175173.2177.2-174.900112A4 S10 L11 W12 P210 M243A4-E8 PolarHBondContact O-N 3.25Å; E8-S10 VanDerWaalsContact C-N 3.34Å; E8-S10 PolarHBondContact O-N 2.93Å; E8-L11 WeakPolarHBondContact O-CB 3.05Å; E8-L11 PolarHBondContact O-N 2.93Å; E8-W12 PolarHBondContact O-N 3.08Å; E8-P210 HydrophobicContact CB-CG 4.21Å; E8-P210 HydrophobicContact CG-CG 3.75Å; E8-M243 HydrophobicContact CG-CE 4.23Å
9R90.7Very high84.1Confident141 Ų14171.6 Ų71.653%0.53236%0.361SS..Hα-helixtrans-60.9-44.9176.7-179176175.3166.33.6111.7Q5 R7 L11 W12 E13Q5-R9 WeakPolarHBondContact O-CB 3.37Å; Q5-R9 PolarHBondContact O-N 2.87Å; R7-R9 PolarHBondContact O-N 3.44Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.13Å; R9-W12 PolarHBondContact O-N 3.28Å; R9-E13 HydrophobicContact CG-CG 4.39Å; R9-E13 WeakPolarHBondContact CG-OE1 3.46Å; R9-E13 IonicContact CZ-OE1 3.76Å; R9-E13 IonicContact NE-OE1 2.77Å; R9-E13 PolarHBondContact NE-OE1 3.29Å; R9-E13 IonicContact NH2-OE1 3.59Å; R9-E13 PolarHBondContact NH2-OE1 3.31Å; R9-E13 WeakPolarHBondContact O-CB 3.42Å; R9-E13 WeakPolarHBondContact O-CG 3.06Å; R9-E13 PolarHBondContact O-N 3.01Å
10S92.7Very high84.8Confident22 Ų2268 Ų6815%0.15434%0.343CS..Hα-helixtrans-61.1-36.9177.4-169.90000112.2S6 R7 E8 T14 K128S6-S10 WeakPolarHBondContact O-CB 3.29Å; S6-S10 PolarHBondContact O-N 2.87Å; R7-S10 WeakPolarHBondContact O-CB 3.26Å; R7-S10 PolarHBondContact O-N 2.73Å; E8-S10 VanDerWaalsContact C-N 3.34Å; E8-S10 PolarHBondContact O-N 2.93Å; S10-T14 WeakPolarHBondContact O-CB 3.49Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 3.07Å; S10-K128 PolarHBondContact OG-NZ 3.14Å
11L95.2Very high85.5Confident1 Ų165 Ų651%0.00533%0.328CS..Hα-helixtrans-64.8-50.2176.1179.163000110.6R7 E8 R9 E13 T14 L15 M20 I81 F130 V179 F212 M243R7-L11 WeakPolarHBondContact O-CB 3.49Å; R7-L11 PolarHBondContact O-N 3.3Å; E8-L11 WeakPolarHBondContact O-CB 3.05Å; E8-L11 PolarHBondContact O-N 2.93Å; R9-L11 VanDerWaalsContact C-N 3.28Å; R9-L11 PolarHBondContact O-N 3.13Å; L11-E13 PolarHBondContact O-N 2.68Å; L11-T14 PolarHBondContact O-N 3.48Å; L11-L15 HydrophobicContact CD1-CD1 4.25Å; L11-L15 HydrophobicContact CD1-CG 4.4Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.39Å; L11-M20 HydrophobicContact CD1-CE 3.81Å; L11-M20 HydrophobicContact CD1-SD 3.89Å; L11-I81 HydrophobicContact CD1-CD1 4.46Å; L11-F130 HydrophobicContact CB-CD1 4.33Å; L11-F130 HydrophobicContact CB-CE1 3.84Å; L11-F130 HydrophobicContact CB-CZ 4.08Å; L11-F130 HydrophobicContact CD1-CD1 4.37Å; L11-F130 HydrophobicContact CD1-CD2 4.19Å; L11-F130 HydrophobicContact CD1-CE1 4.43Å; L11-F130 HydrophobicContact CD1-CE2 4.26Å; L11-F130 HydrophobicContact CD1-CG 4.24Å; L11-F130 HydrophobicContact CD1-CZ 4.37Å; L11-V179 HydrophobicContact CD2-CG2 3.45Å; L11-V179 VanDerWaalsContact CD2-CG2 3.45Å; L11-F212 HydrophobicContact CD2-CE1 4.4Å; L11-F212 HydrophobicContact CD2-CZ 4.07Å; L11-M243 HydrophobicContact CD2-SD 3.94Å; L11-M243 HydrophobicContact CG-SD 4.27Å
12W94.1Very high87.9Confident138 Ų13857 Ų5752%0.52329%0.289SS..Hα-helixtrans-60.6-44.2178.7-170.499.9000112.7E8 R9 T14 L15 S16 F270E8-W12 PolarHBondContact O-N 3.08Å; R9-W12 PolarHBondContact O-N 3.28Å; W12-T14 VanDerWaalsContact C-N 3.35Å; W12-L15 PolarHBondContact O-N 2.82Å; W12-S16 WeakPolarHBondContact CZ3-OG 3.22Å; W12-S16 PolarHBondContact O-N 3.19Å; W12-S16 PolarHBondContact O-OG 2.94Å; W12-F270 AromaticContact CD1-CE2 3.67Å; W12-F270 HydrophobicContact CD2-CZ 4.49Å; W12-F270 HydrophobicContact CG-CE2 4.28Å; W12-F270 HydrophobicContact CZ2-CZ 4.45Å; W12-F270 AromaticContact NE1-CE2 3.65Å; W12-F270 AromaticContact NE1-CZ 3.85Å
13E95Very high89.7Confident72 Ų7254 Ų5434%0.33627%0.268SS..Hα-helixtrans-61-44.7176.7-73.8170.9173.400110.4R9 L11 S16 E17R9-E13 HydrophobicContact CG-CG 4.39Å; R9-E13 WeakPolarHBondContact CG-OE1 3.46Å; R9-E13 IonicContact CZ-OE1 3.76Å; R9-E13 IonicContact NE-OE1 2.77Å; R9-E13 PolarHBondContact NE-OE1 3.29Å; R9-E13 IonicContact NH2-OE1 3.59Å; R9-E13 PolarHBondContact NH2-OE1 3.31Å; R9-E13 WeakPolarHBondContact O-CB 3.42Å; R9-E13 WeakPolarHBondContact O-CG 3.06Å; R9-E13 PolarHBondContact O-N 3.01Å; L11-E13 PolarHBondContact O-N 2.68Å; E13-S16 PolarHBondContact O-N 3.12Å; E13-E17 WeakPolarHBondContact O-CG 3.45Å; E13-E17 PolarHBondContact O-N 2.81Å; E13-E17 VanDerWaalsContact O-N 3.14Å
14T95.2Very high91.3Very high22 Ų2248.6 Ų48.614%0.13524%0.235CC..Hα-helixtrans-65.5-43.1179.8-51.40000112.3S10 L11 W12 S16 E17 R18 M20S10-T14 WeakPolarHBondContact O-CB 3.49Å; S10-T14 PolarHBondContact O-N 3.27Å; S10-T14 PolarHBondContact O-OG1 3.07Å; L11-T14 PolarHBondContact O-N 3.48Å; W12-T14 VanDerWaalsContact C-N 3.35Å; T14-S16 PolarHBondContact O-N 3.02Å; T14-E17 PolarHBondContact O-N 2.94Å; T14-E17 VanDerWaalsContact O-N 3.12Å; T14-R18 HydrophobicContact CG2-CG 4.07Å; T14-R18 PolarHBondContact O-N 2.77Å; T14-R18 VanDerWaalsContact O-O 3.12Å; T14-M20 HydrophobicContact CG2-CE 4.07Å; T14-M20 HydrophobicContact CG2-CG 3.68Å; T14-M20 HydrophobicContact CG2-SD 3.56Å; T14-M20 VanDerWaalsContact CG2-SD 3.56Å
15L96.3Very high92.8Very high0 Ų046.9 Ų46.90%022%0.222CC..Hα-helixtrans-61.7-26.2177.6-72.6170.5000113.5L11 W12 M20 F212 M243 F270 N307 I308L11-L15 HydrophobicContact CD1-CD1 4.25Å; L11-L15 HydrophobicContact CD1-CG 4.4Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.39Å; W12-L15 PolarHBondContact O-N 2.82Å; L15-M20 HydrophobicContact CD2-CB 4.27Å; L15-M20 HydrophobicContact CD2-CG 4.04Å; L15-M20 HydrophobicContact CD2-SD 3.56Å; L15-M20 VanDerWaalsContact CD2-SD 3.56Å; L15-M20 HydrophobicContact CG-SD 3.7Å; L15-F212 HydrophobicContact CD1-CZ 4.5Å; L15-M243 HydrophobicContact CD1-SD 4.19Å; L15-F270 HydrophobicContact CB-CD1 4.34Å; L15-F270 HydrophobicContact CB-CD2 4.2Å; L15-F270 HydrophobicContact CB-CE1 4.21Å; L15-F270 HydrophobicContact CB-CE2 4.08Å; L15-F270 HydrophobicContact CB-CG 4.32Å; L15-F270 HydrophobicContact CB-CZ 4.07Å; L15-F270 HydrophobicContact CD1-CD2 3.75Å; L15-F270 HydrophobicContact CD1-CE2 4.1Å; L15-F270 HydrophobicContact CD1-CG 4.29Å; L15-N307 HydrophobicContact CD2-CB 4.28Å; L15-N307 PolarHBondContact O-ND2 3.34Å; L15-I308 HydrophobicContact CD2-CD1 3.58Å; L15-I308 HydrophobicContact CD2-CG1 3.31Å
16S94.7Very high94.2Very high50 Ų5043 Ų4335%0.3520%0.204SC..Hα-helixtrans-84.9-26.8177.7-56.90000112.5W12 E13 T14W12-S16 WeakPolarHBondContact CZ3-OG 3.22Å; W12-S16 PolarHBondContact O-N 3.19Å; W12-S16 PolarHBondContact O-OG 2.94Å; E13-S16 PolarHBondContact O-N 3.12Å; T14-S16 PolarHBondContact O-N 3.02Å
17E95Very high94.7Very high150 Ų15041.4 Ų41.470%0.70120%0.197SC*.Hα-helixtrans-90.7-39-176.2-73.7177.8-178.100113.4E13 T14E13-E17 WeakPolarHBondContact O-CG 3.45Å; E13-E17 PolarHBondContact O-N 2.81Å; E13-E17 VanDerWaalsContact O-N 3.14Å; T14-E17 PolarHBondContact O-N 2.94Å; T14-E17 VanDerWaalsContact O-N 3.12Å
18R96Very high94.9Very high93 Ų9341.4 Ų41.435%0.35120%0.2SC..SBendtrans-149.7162.4-176.266.6173.7-175.888.5-6.4112.8T14 M20 D80T14-R18 HydrophobicContact CG2-CG 4.07Å; T14-R18 PolarHBondContact O-N 2.77Å; T14-R18 VanDerWaalsContact O-O 3.12Å; R18-M20 PolarHBondContact O-N 3.4Å; R18-D80 IonicContact CZ-OD1 3.11Å; R18-D80 IonicContact CZ-OD2 3.48Å; R18-D80 IonicContact NH1-OD1 2.8Å; R18-D80 IonicContact NH1-OD2 3.29Å; R18-D80 PolarHBondContact NH1-OD2 3.05Å; R18-D80 IonicContact NH2-OD1 3.77Å; R18-D80 PolarHBondContact NH2-OD1 3.5Å; R18-D80 IonicContact NH2-OD2 2.77Å; R18-D80 PolarHBondContact NH2-OD2 2.81Å
19V98Very high95.1Very high6 Ų638.4 Ų38.44%0.03619%0.187CC..  trans-67.2127.3167.3-177.50000109.2A301 N307 V309 V327 P332V19-A301 HydrophobicContact CG2-CB 4.22Å; V19-N307 WeakPolarHBondContact CA-O 3.49Å; V19-V309 HydrophobicContact CG1-CG1 4.31Å; V19-V309 HydrophobicContact CG1-CG2 3.89Å; V19-V327 HydrophobicContact CB-CG2 4.31Å; V19-V327 HydrophobicContact CG1-CB 4.41Å; V19-V327 HydrophobicContact CG1-CG2 4.07Å; V19-P332 HydrophobicContact CG2-CB 4.15Å
20M98.2Very high95.2Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-96.3156.9175.9-67.6-174.87000111.5L11 T14 L15 R18 D80 I81 F130 N307 I308 V309L11-M20 HydrophobicContact CD1-CE 3.81Å; L11-M20 HydrophobicContact CD1-SD 3.89Å; T14-M20 HydrophobicContact CG2-CE 4.07Å; T14-M20 HydrophobicContact CG2-CG 3.68Å; T14-M20 HydrophobicContact CG2-SD 3.56Å; T14-M20 VanDerWaalsContact CG2-SD 3.56Å; L15-M20 HydrophobicContact CD2-CB 4.27Å; L15-M20 HydrophobicContact CD2-CG 4.04Å; L15-M20 HydrophobicContact CD2-SD 3.56Å; L15-M20 VanDerWaalsContact CD2-SD 3.56Å; L15-M20 HydrophobicContact CG-SD 3.7Å; R18-M20 PolarHBondContact O-N 3.4Å; M20-D80 WeakPolarHBondContact CA-OD2 3.48Å; M20-D80 HydrophobicContact CB-CB 4.49Å; M20-D80 HydrophobicContact CE-CB 3.79Å; M20-I81 HydrophobicContact CE-CD1 4.17Å; M20-I81 HydrophobicContact CE-CG1 3.99Å; M20-F130 HydrophobicContact CE-CD2 3.72Å; M20-F130 HydrophobicContact CE-CE2 3.7Å; M20-N307 PolarHBondContact N-O 3Å; M20-I308 HydrophobicContact CB-CG1 4.34Å; M20-I308 WeakPolarHBondContact O-CA 3.36Å; M20-V309 PolarHBondContact O-N 2.85Å
21I98.5Very high95Very high4 Ų437.3 Ų37.32%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-112.4118.2-175.3-48.6-60.1000110.4D80 I81 V309 I320 I323 V324 V327I21-D80 PolarHBondContact N-OD2 3.44Å; I21-D80 WeakPolarHBondContact O-CA 3.41Å; I21-D80 WeakPolarHBondContact O-CB 3.46Å; I21-D80 PolarHBondContact O-N 2.96Å; I21-I81 PolarHBondContact O-N 3.03Å; I21-V309 CarbonylContact C-O 3.59Å; I21-V309 VanDerWaalsContact CA-O 3.32Å; I21-V309 WeakPolarHBondContact CA-O 3.42Å; I21-V309 HydrophobicContact CD1-CG2 3.72Å; I21-I320 HydrophobicContact CG2-CG2 3.83Å; I21-I323 HydrophobicContact CD1-CG2 4.21Å; I21-V324 HydrophobicContact CB-CG2 4.35Å; I21-V324 HydrophobicContact CD1-CG2 4.42Å; I21-V324 HydrophobicContact CG1-CG2 3.83Å; I21-V324 HydrophobicContact CG2-CG2 3.97Å; I21-V327 HydrophobicContact CD1-CG2 3.5Å
22L98.5Very high94.7Very high1 Ų143.7 Ų43.71%0.00521%0.209CC..BIsolated β-bridgetrans-79155.3164.1-171.573.9000109.1I81 E83 I272 Y274 I308 V309L22-I81 HydrophobicContact CD1-CB 3.85Å; L22-I81 HydrophobicContact CD1-CG2 3.7Å; L22-E83 HydrophobicContact CD1-CG 3.86Å; L22-E83 HydrophobicContact CG-CG 4.38Å; L22-I272 HydrophobicContact CD2-CD1 4.19Å; L22-Y274 HydrophobicContact CD2-CD1 3.94Å; L22-Y274 HydrophobicContact CD2-CD2 3.66Å; L22-Y274 HydrophobicContact CD2-CE1 4.2Å; L22-Y274 HydrophobicContact CD2-CE2 3.93Å; L22-Y274 HydrophobicContact CD2-CG 3.67Å; L22-I308 HydrophobicContact CB-CG2 4.09Å; L22-V309 PolarHBondContact N-O 3.24Å
23D98.2Very high94.6Very high0 Ų041.3 Ų41.30%020%0.201CC..  trans-69-170.217462-19.2000112.9Y74 A79 I81 I82 E83 G311D23-Y74 HydrophobicContact CB-CD1 4.14Å; D23-Y74 HydrophobicContact CB-CD2 3.91Å; D23-Y74 HydrophobicContact CB-CG 3.69Å; D23-A79 HydrophobicContact CB-CB 3.99Å; D23-I81 PolarHBondContact N-O 2.93Å; D23-I82 HydrophobicContact CB-CG2 4.24Å; D23-I82 WeakPolarHBondContact OD2-CA 3.16Å; D23-E83 WeakPolarHBondContact OD1-CG 3.5Å; D23-E83 PolarHBondContact OD1-N 3.45Å; D23-E83 VanDerWaalsContact OD1-N 3.16Å; D23-E83 PolarHBondContact OD2-N 2.8Å; D23-E83 VanDerWaalsContact OD2-N 3.09Å; D23-G311 PolarHBondContact O-N 2.91Å; D23-G311 VanDerWaalsContact O-N 3.15Å
24G95.7Very high94.3Very high1 Ų146.8 Ų46.81%0.0122%0.223CC..  trans-110.6-173.5-177.600000112.2M26 Y74 G311 T315G24-M26 PolarHBondContact O-N 3.27Å; G24-Y74 PolarHBondContact O-OH 2.98Å; G24-G311 CarbonylContact C-O 3.42Å; G24-G311 WeakPolarHBondContact CA-O 3.22Å; G24-T315 VanDerWaalsContact CA-OG1 3.25Å; G24-T315 WeakPolarHBondContact CA-OG1 3.4Å
25G93.1Very high94Very high11 Ų1147.1 Ų47.111%0.11322%0.224CC..  trans-60.3109.2-176.200000114.3G27 T28 M29 Y74 C312 T315G25-G27 PolarHBondContact O-N 2.95Å; G25-T28 WeakPolarHBondContact O-CB 3.26Å; G25-T28 PolarHBondContact O-N 3.01Å; G25-M29 PolarHBondContact O-N 3.24Å; G25-Y74 PolarHBondContact N-OH 3.41Å; G25-Y74 PolarHBondContact O-OH 2.72Å; G25-Y74 VanDerWaalsContact O-OH 3.1Å; G25-C312 VanDerWaalsContact CA-O 3.28Å; G25-C312 WeakPolarHBondContact CA-O 3.24Å; G25-C312 PolarHBondContact N-O 3.47Å; G25-C312 VanDerWaalsContact N-O 3.16Å; G25-T315 PolarHBondContact N-OG1 3.29Å; G25-T315 VanDerWaalsContact N-OG1 3.07Å
26M95.8Very high93.6Very high25 Ų2551.1 Ų51.112%0.12325%0.246CC..Hα-helixtrans-56.4-47.9172.2177.358.670.700111.5G24 T28 M29 L30 I70 H71 N85G24-M26 PolarHBondContact O-N 3.27Å; M26-T28 VanDerWaalsContact C-N 3.33Å; M26-T28 PolarHBondContact O-N 2.89Å; M26-M29 PolarHBondContact O-N 2.97Å; M26-M29 VanDerWaalsContact O-N 3.12Å; M26-L30 HydrophobicContact CG-CD1 3.89Å; M26-L30 HydrophobicContact CG-CG 4.44Å; M26-L30 WeakPolarHBondContact O-CG 3.5Å; M26-L30 PolarHBondContact O-N 2.59Å; M26-L30 HydrophobicContact SD-CD1 4.08Å; M26-L30 HydrophobicContact SD-CG 4.12Å; M26-I70 HydrophobicContact CE-CG2 3.95Å; M26-I70 HydrophobicContact SD-CB 4.34Å; M26-I70 HydrophobicContact SD-CD1 4.09Å; M26-I70 HydrophobicContact SD-CG2 3.79Å; M26-H71 WeakPolarHBondContact CE-CE1 3.44Å; M26-N85 HydrophobicContact CE-CB 4.35Å; M26-N85 HydrophobicContact CG-CB 4.17Å; M26-N85 WeakPolarHBondContact CG-OD1 3.31Å; M26-N85 HydrophobicContact SD-CB 4.43Å
27G90.4Very high93.4Very high27 Ų2751 Ų5128%0.27824%0.24SC..Hα-helixtrans-59.4-40.4176.900000113.2G25 M29 L30 Q31G25-G27 PolarHBondContact O-N 2.95Å; G27-M29 VanDerWaalsContact C-N 3.27Å; G27-M29 PolarHBondContact O-N 3.15Å; G27-L30 PolarHBondContact O-N 3.46Å; G27-Q31 WeakPolarHBondContact O-CB 3.29Å; G27-Q31 VanDerWaalsContact O-CG 3.24Å; G27-Q31 WeakPolarHBondContact O-CG 3.46Å; G27-Q31 PolarHBondContact O-N 3.23Å
28T91Very high93.3Very high26 Ų2651.4 Ų51.416%0.1624%0.241CC..Hα-helixtrans-57.2-41.5175.1-51.10000111.3G25 M26 G314 T316G25-T28 WeakPolarHBondContact O-CB 3.26Å; G25-T28 PolarHBondContact O-N 3.01Å; M26-T28 VanDerWaalsContact C-N 3.33Å; M26-T28 PolarHBondContact O-N 2.89Å; T28-G314 PolarHBondContact OG1-N 2.89Å; T28-G314 VanDerWaalsContact OG1-N 3.11Å; T28-T316 HydrophobicContact CG2-CG2 4.44Å
29M95.3Very high93.1Very high17 Ų1748 Ų488%0.08423%0.233CC..Hα-helixtrans-75.2-43-179-71.1-63.3-6900112.4G25 M26 G27 Q31 R32 Y33 I70 Y74 P317G25-M29 PolarHBondContact O-N 3.24Å; M26-M29 PolarHBondContact O-N 2.97Å; M26-M29 VanDerWaalsContact O-N 3.12Å; G27-M29 VanDerWaalsContact C-N 3.27Å; G27-M29 PolarHBondContact O-N 3.15Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; M29-Q31 PolarHBondContact O-N 3.5Å; M29-R32 WeakPolarHBondContact O-CB 3.34Å; M29-R32 PolarHBondContact O-N 3.01Å; M29-Y33 WeakPolarHBondContact O-CD2 3.46Å; M29-I70 HydrophobicContact CB-CD1 3.76Å; M29-I70 HydrophobicContact CB-CG1 3.93Å; M29-I70 HydrophobicContact CB-CG2 3.78Å; M29-I70 HydrophobicContact CG-CG2 4.07Å; M29-Y74 HydrophobicContact CG-CE2 3.92Å; M29-Y74 WeakPolarHBondContact CG-OH 3.4Å; M29-P317 HydrophobicContact CE-CG 4.02Å; M29-P317 VanDerWaalsContact SD-CD 3.59Å; M29-P317 HydrophobicContact SD-CG 4.29Å
30L92.6Very high92.9Very high3 Ų348.5 Ų48.52%0.01623%0.234CC..Hα-helixtrans-60.7-40.8177.2-70.3169.9000112M26 G27 R32 Y33 N56 L59 I66 V67 I70M26-L30 HydrophobicContact CG-CD1 3.89Å; M26-L30 HydrophobicContact CG-CG 4.44Å; M26-L30 WeakPolarHBondContact O-CG 3.5Å; M26-L30 PolarHBondContact O-N 2.59Å; M26-L30 HydrophobicContact SD-CD1 4.08Å; M26-L30 HydrophobicContact SD-CG 4.12Å; G27-L30 PolarHBondContact O-N 3.46Å; L30-R32 PolarHBondContact O-N 3.37Å; L30-R32 VanDerWaalsContact O-N 3.16Å; L30-Y33 PolarHBondContact O-N 3.28Å; L30-Y33 VanDerWaalsContact O-N 3.12Å; L30-N56 HydrophobicContact CD1-CB 3.9Å; L30-L59 HydrophobicContact CD1-CD1 4.19Å; L30-L59 HydrophobicContact CD2-CD1 3.87Å; L30-L59 HydrophobicContact CG-CD1 4.45Å; L30-I66 HydrophobicContact CD2-CG2 3.9Å; L30-V67 HydrophobicContact CD2-CG2 4.43Å; L30-I70 HydrophobicContact CD2-CD1 3.54Å; L30-I70 HydrophobicContact CG-CD1 3.87Å
31Q87.8Confident92.8Very high137 Ų13750.2 Ų50.264%0.6424%0.241SC*.Hα-helixtrans-59.9-26.6178.8-75.3173-0.900113.6G27 M29 Y33 K34G27-Q31 WeakPolarHBondContact O-CB 3.29Å; G27-Q31 VanDerWaalsContact O-CG 3.24Å; G27-Q31 WeakPolarHBondContact O-CG 3.46Å; G27-Q31 PolarHBondContact O-N 3.23Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; M29-Q31 PolarHBondContact O-N 3.5Å; Q31-Y33 PolarHBondContact O-N 3.47Å; Q31-K34 PolarHBondContact O-N 3.48Å
32R89.8Confident92.5Very high135 Ų13551.1 Ų51.151%0.50925%0.251SS..THydrogen-bonded Turntrans-66.8-24.7178.2-68175.8171.6-163.8-9.2113.4M29 L30 K34M29-R32 WeakPolarHBondContact O-CB 3.34Å; M29-R32 PolarHBondContact O-N 3.01Å; L30-R32 PolarHBondContact O-N 3.37Å; L30-R32 VanDerWaalsContact O-N 3.16Å; R32-K34 VanDerWaalsContact C-N 3.26Å; R32-K34 PolarHBondContact O-N 3.28Å
33Y92.4Very high92.2Very high88 Ų8858.1 Ų58.135%0.34528%0.283SS..THydrogen-bonded Turntrans-77.1-12.4177.6-70-96.5000112.9M29 L30 Q31 L35 I66 E69 I70M29-Y33 WeakPolarHBondContact O-CD2 3.46Å; L30-Y33 PolarHBondContact O-N 3.28Å; L30-Y33 VanDerWaalsContact O-N 3.12Å; Q31-Y33 PolarHBondContact O-N 3.47Å; Y33-L35 VanDerWaalsContact C-N 3.25Å; Y33-L35 PolarHBondContact O-N 3.27Å; Y33-I66 HydrophobicContact CD1-CD1 3.87Å; Y33-I66 HydrophobicContact CD1-CG1 4.2Å; Y33-I66 HydrophobicContact CD1-CG2 4.16Å; Y33-I66 HydrophobicContact CD2-CG2 3.81Å; Y33-I66 HydrophobicContact CE1-CD1 4.25Å; Y33-I66 HydrophobicContact CE1-CG1 4.06Å; Y33-I66 HydrophobicContact CE1-CG2 3.98Å; Y33-I66 HydrophobicContact CE2-CG2 3.63Å; Y33-I66 HydrophobicContact CG-CD1 4.27Å; Y33-I66 HydrophobicContact CG-CG2 4.08Å; Y33-E69 PolarHBondContact OH-OE2 3.2Å; Y33-I70 HydrophobicContact CE2-CD1 4.12Å; Y33-I70 HydrophobicContact CE2-CG1 4.27Å
34K88.6Confident92Very high186 Ų18663.9 Ų63.981%0.80931%0.305SS*.  trans5142.1176.5-59.4-178179.5-177.20113.4Q31 R32Q31-K34 PolarHBondContact O-N 3.48Å; R32-K34 VanDerWaalsContact C-N 3.26Å; R32-K34 PolarHBondContact O-N 3.28Å
35L88.9Confident92Very high30 Ų3064.4 Ų64.416%0.15731%0.307CS..  trans-62.3141-178.2-58178.9000111.7Y33 A39 Y40 L59 Q63 I66Y33-L35 VanDerWaalsContact C-N 3.25Å; Y33-L35 PolarHBondContact O-N 3.27Å; L35-A39 HydrophobicContact CB-CB 4.01Å; L35-A39 HydrophobicContact CD2-CB 4.02Å; L35-A39 HydrophobicContact CG-CB 4.48Å; L35-Y40 HydrophobicContact CB-CD2 3.98Å; L35-Y40 HydrophobicContact CB-CE2 3.7Å; L35-L59 HydrophobicContact CD1-CD1 3.75Å; L35-L59 HydrophobicContact CD1-CD2 3.81Å; L35-L59 HydrophobicContact CD1-CG 4.46Å; L35-Q63 HydrophobicContact CD1-CG 4.4Å; L35-I66 HydrophobicContact CD1-CD1 4.23Å; L35-I66 HydrophobicContact CD2-CD1 4.04Å
36D87.8Confident92Very high84 Ų8469.4 Ų69.445%0.44933%0.326SS..  trans-98.617817564.511.5000111.9E38 A39 Y40D36-E38 VanDerWaalsContact C-N 3.27Å; D36-E38 PolarHBondContact O-N 3.27Å; D36-E38 PolarHBondContact OD1-N 3.48Å; D36-A39 PolarHBondContact O-N 2.87Å; D36-A39 WeakPolarHBondContact OD1-CB 3.4Å; D36-A39 PolarHBondContact OD1-N 2.96Å; D36-Y40 WeakPolarHBondContact O-CD2 3.28Å; D36-Y40 PolarHBondContact O-N 3.48Å; D36-Y40 VanDerWaalsContact O-N 3.08Å
37E90.4Very high91.8Very high48 Ų4875.7 Ų75.722%0.22436%0.36CS..Hα-helixtrans-57.5-37.8-178.6-179.568.7-160.500112.8Y40 R41 P51 V52 K53E37-Y40 PolarHBondContact O-N 2.68Å; E37-R41 VanDerWaalsContact O-CG 3.31Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 2.68Å; E37-R41 IonicContact OE1-CZ 3.72Å; E37-R41 IonicContact OE1-NE 3.85Å; E37-R41 PolarHBondContact OE1-NE 3.45Å; E37-R41 IonicContact OE1-NH2 3.75Å; E37-R41 PolarHBondContact OE1-NH2 3.3Å; E37-P51 VanDerWaalsContact OE1-CA 3.29Å; E37-P51 WeakPolarHBondContact OE1-CA 3.39Å; E37-V52 PolarHBondContact OE1-N 2.85Å; E37-V52 PolarHBondContact OE2-N 3.41Å; E37-K53 HydrophobicContact CB-CB 4.45Å; E37-K53 WeakPolarHBondContact OE2-CA 3.17Å; E37-K53 WeakPolarHBondContact OE2-CB 3.35Å; E37-K53 PolarHBondContact OE2-N 2.69Å
38E91.8Very high92Very high158 Ų15876 Ų7674%0.73835%0.354SS*.Hα-helixtrans-64.9-42.2178.2-66.1-171.217600111.2D36 R41 G42D36-E38 VanDerWaalsContact C-N 3.27Å; D36-E38 PolarHBondContact O-N 3.27Å; D36-E38 PolarHBondContact OD1-N 3.48Å; E38-R41 PolarHBondContact O-N 3.27Å; E38-G42 PolarHBondContact O-N 2.91Å
39A92.2Very high92Very high20 Ų2079.4 Ų79.417%0.16538%0.377CS..Hα-helixtrans-65.2-40176.600000113L35 D36 Q63L35-A39 HydrophobicContact CB-CB 4.01Å; L35-A39 HydrophobicContact CD2-CB 4.02Å; L35-A39 HydrophobicContact CG-CB 4.48Å; D36-A39 PolarHBondContact O-N 2.87Å; D36-A39 WeakPolarHBondContact OD1-CB 3.4Å; D36-A39 PolarHBondContact OD1-N 2.96Å; A39-Q63 PolarHBondContact O-NE2 3.11Å
40Y93.5Very high91.5Very high18 Ų1880.2 Ų80.27%0.07138%0.383CS..Hα-helixtrans-64-42.9175.1-87.3-98.6000111.7L35 D36 E37 K53 D55 N56 L58 L59 T62L35-Y40 HydrophobicContact CB-CD2 3.98Å; L35-Y40 HydrophobicContact CB-CE2 3.7Å; D36-Y40 WeakPolarHBondContact O-CD2 3.28Å; D36-Y40 PolarHBondContact O-N 3.48Å; D36-Y40 VanDerWaalsContact O-N 3.08Å; E37-Y40 PolarHBondContact O-N 2.68Å; Y40-K53 HydrophobicContact CD2-CB 4.31Å; Y40-K53 HydrophobicContact CD2-CG 4.11Å; Y40-K53 HydrophobicContact CE2-CG 4.07Å; Y40-D55 WeakPolarHBondContact CD1-O 3.49Å; Y40-D55 WeakPolarHBondContact CE1-O 3.16Å; Y40-N56 PolarHBondContact OH-OD1 2.72Å; Y40-L58 WeakPolarHBondContact O-CD2 3.38Å; Y40-L59 HydrophobicContact CD1-CD1 4.47Å; Y40-L59 HydrophobicContact CD1-CD2 3.73Å; Y40-L59 HydrophobicContact CD1-CG 4.06Å; Y40-L59 HydrophobicContact CD2-CD2 4.43Å; Y40-L59 HydrophobicContact CE1-CD1 3.86Å; Y40-L59 HydrophobicContact CE1-CD2 3.96Å; Y40-L59 HydrophobicContact CE1-CG 3.89Å; Y40-L59 HydrophobicContact CG-CD2 3.97Å; Y40-T62 WeakPolarHBondContact O-CB 3.43Å; Y40-T62 VanDerWaalsContact O-CG2 3.27Å; Y40-T62 WeakPolarHBondContact O-CG2 3.46Å; Y40-T62 PolarHBondContact O-OG1 2.91Å
41R95.7Very high91.2Very high36 Ų3684.7 Ų84.714%0.13641%0.412CS..Hα-helixtrans-66.4-39.9179-73.5175.6-178.2-92.6-13.5113.2E37 E38 F45 K46 H48 V50 V52 T62E37-R41 VanDerWaalsContact O-CG 3.31Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 2.68Å; E37-R41 IonicContact OE1-CZ 3.72Å; E37-R41 IonicContact OE1-NE 3.85Å; E37-R41 PolarHBondContact OE1-NE 3.45Å; E37-R41 IonicContact OE1-NH2 3.75Å; E37-R41 PolarHBondContact OE1-NH2 3.3Å; E38-R41 PolarHBondContact O-N 3.27Å; R41-F45 HydrophobicContact CB-CB 4.34Å; R41-F45 PolarHBondContact NH1-O 2.83Å; R41-F45 WeakPolarHBondContact O-CB 3.47Å; R41-F45 PolarHBondContact O-N 3.06Å; R41-K46 PolarHBondContact NH1-O 2.82Å; R41-H48 PolarHBondContact NH1-O 2.74Å; R41-V50 PolarHBondContact NH2-O 3.27Å; R41-V52 HydrophobicContact CB-CG2 4.48Å; R41-V52 HydrophobicContact CG-CG2 3.49Å; R41-V52 VanDerWaalsContact CG-CG2 3.49Å; R41-T62 WeakPolarHBondContact O-CG2 3.25Å
42G92.4Very high91.3Very high23 Ų2378.1 Ų78.124%0.23738%0.381CS..THydrogen-bonded Turntrans53.1-165.1-163.700000112.1E38 R44E38-G42 PolarHBondContact O-N 2.91Å; G42-R44 VanDerWaalsContact C-N 3.28Å; G42-R44 PolarHBondContact O-N 3.39Å
43E92.9Very high91.1Very high147 Ų14777.6 Ų77.669%0.68738%0.382SS*.THydrogen-bonded Turntrans-71.4-27.4176.6-169.958.7-156.500111.8K46E43-K46 IonicContact OE1-NZ 2.96Å; E43-K46 PolarHBondContact OE1-NZ 2.93Å; E43-K46 IonicContact OE2-NZ 2.85Å; E43-K46 PolarHBondContact OE2-NZ 3.05Å; E43-K46 VanDerWaalsContact OE2-NZ 3.11Å
44R93.8Very high90.7Very high122 Ų12275.1 Ų75.146%0.4638%0.384SS..THydrogen-bonded Turntrans-69.2-40.9-173.7-176175.6175.3174.22.7113.5G42 E105G42-R44 VanDerWaalsContact C-N 3.28Å; G42-R44 PolarHBondContact O-N 3.39Å; R44-E105 IonicContact CZ-OE1 3.63Å; R44-E105 IonicContact CZ-OE2 3.71Å; R44-E105 VanDerWaalsContact NH1-CD 3.32Å; R44-E105 IonicContact NH1-OE1 2.81Å; R44-E105 PolarHBondContact NH1-OE1 3.36Å; R44-E105 IonicContact NH1-OE2 2.75Å; R44-E105 PolarHBondContact NH1-OE2 2.95Å; R44-E105 VanDerWaalsContact NH2-CD 3.33Å; R44-E105 IonicContact NH2-OE1 3.77Å; R44-E105 PolarHBondContact NH2-OE1 2.92Å; R44-E105 IonicContact NH2-OE2 3.25Å; R44-E105 PolarHBondContact NH2-OE2 3.31Å
45F95.5Very high90.9Very high12 Ų1266.3 Ų66.35%0.05335%0.345CS..THydrogen-bonded Turntrans-110.421.8-176-56.2-76.7000112.7R41 N47 H48 L58 L61 T62 M99 H102R41-F45 HydrophobicContact CB-CB 4.34Å; R41-F45 PolarHBondContact NH1-O 2.83Å; R41-F45 WeakPolarHBondContact O-CB 3.47Å; R41-F45 PolarHBondContact O-N 3.06Å; F45-N47 PolarHBondContact O-N 3.36Å; F45-N47 VanDerWaalsContact O-N 3.13Å; F45-H48 HydrophobicContact CB-CB 4.19Å; F45-H48 VanDerWaalsContact O-CB 3.3Å; F45-H48 WeakPolarHBondContact O-CB 3.39Å; F45-H48 PolarHBondContact O-N 3.1Å; F45-L58 HydrophobicContact CD2-CD1 3.82Å; F45-L58 HydrophobicContact CD2-CD2 4.47Å; F45-L58 HydrophobicContact CE2-CD1 3.46Å; F45-L58 VanDerWaalsContact CE2-CD1 3.46Å; F45-L58 HydrophobicContact CZ-CD1 4.02Å; F45-L61 HydrophobicContact CE2-CD1 4.47Å; F45-L61 HydrophobicContact CZ-CD1 4.4Å; F45-T62 HydrophobicContact CD2-CG2 3.74Å; F45-T62 HydrophobicContact CE2-CG2 3.99Å; F45-M99 HydrophobicContact CB-CE 4.41Å; F45-M99 HydrophobicContact CD1-CE 3.84Å; F45-M99 HydrophobicContact CD1-SD 4.24Å; F45-M99 HydrophobicContact CE1-CE 4.22Å; F45-M99 HydrophobicContact CE1-SD 4.08Å; F45-M99 HydrophobicContact CG-CE 4.04Å; F45-H102 AromaticContact CE1-CD2 3.67Å; F45-H102 AromaticContact CE1-NE2 3.61Å
46K92.9Very high91.2Very high116 Ų11666.5 Ų66.550%0.50435%0.347SS..THydrogen-bonded Turntrans-50.1-40.7-179.8-169174.8-166.3160.20113.2R41 E43R41-K46 PolarHBondContact NH1-O 2.82Å; E43-K46 IonicContact OE1-NZ 2.96Å; E43-K46 PolarHBondContact OE1-NZ 2.93Å; E43-K46 IonicContact OE2-NZ 2.85Å; E43-K46 PolarHBondContact OE2-NZ 3.05Å; E43-K46 VanDerWaalsContact OE2-NZ 3.11Å
47N93.1Very high91.7Very high157 Ų15762.9 Ų62.984%0.8433%0.327SS*.THydrogen-bonded Turntrans-100.316.5-178.9-59.5-35.5000114.2F45F45-N47 PolarHBondContact O-N 3.36Å; F45-N47 VanDerWaalsContact O-N 3.13Å
48H93.3Very high92Very high32 Ų3260.6 Ų60.615%0.14832%0.317CS..  trans-60135.5179.4-162.165000111.3R41 F45 V50 V52 Y97 Q98R41-H48 PolarHBondContact NH1-O 2.74Å; F45-H48 HydrophobicContact CB-CB 4.19Å; F45-H48 VanDerWaalsContact O-CB 3.3Å; F45-H48 WeakPolarHBondContact O-CB 3.39Å; F45-H48 PolarHBondContact O-N 3.1Å; H48-V50 VanDerWaalsContact C-N 3.29Å; H48-V50 PolarHBondContact CD2-O 3.43Å; H48-V50 PolarHBondContact O-N 2.79Å; H48-V52 WeakPolarHBondContact CD2-CG1 3.42Å; H48-Y97 PolarHBondContact NE2-O 3.38Å; H48-Q98 PolarHBondContact CE1-O 2.93Å; H48-Q98 VanDerWaalsContact CE1-O 3.3Å
49P90.6Very high92.3Very high99 Ų9953 Ų5364%0.64328%0.281SS*.SBendtrans-70.9-18.2-166.727.8-37.1000114.9
50V86.4Confident92.5Very high34 Ų3452.2 Ų52.221%0.20628%0.275CS..SBendtrans-123.1156.7179.5-62.30000111.1R41 H48 Y97 Q98R41-V50 PolarHBondContact NH2-O 3.27Å; H48-V50 VanDerWaalsContact C-N 3.29Å; H48-V50 PolarHBondContact CD2-O 3.43Å; H48-V50 PolarHBondContact O-N 2.79Å; V50-Y97 VanDerWaalsContact CG2-O 3.3Å; V50-Y97 WeakPolarHBondContact CG2-O 3.42Å; V50-Q98 HydrophobicContact CG1-CG 4.44Å; V50-Q98 HydrophobicContact CG2-CB 4.24Å; V50-Q98 HydrophobicContact CG2-CG 4.14Å
51P86.2Confident92.7Very high96 Ų9652.9 Ų52.962%0.62328%0.279SS*.  trans-57.6140.7170.1-23.534.8000112.2E37E37-P51 VanDerWaalsContact OE1-CA 3.29Å; E37-P51 WeakPolarHBondContact OE1-CA 3.39Å
52V89.4Confident92.8Very high0 Ų052.2 Ų52.20%028%0.279CS..  trans-120.8-3.9-178.7-61.20000113.3E37 R41 H48 G54 D55 L58 M99E37-V52 PolarHBondContact OE1-N 2.85Å; E37-V52 PolarHBondContact OE2-N 3.41Å; R41-V52 HydrophobicContact CB-CG2 4.48Å; R41-V52 HydrophobicContact CG-CG2 3.49Å; R41-V52 VanDerWaalsContact CG-CG2 3.49Å; H48-V52 WeakPolarHBondContact CD2-CG1 3.42Å; V52-G54 PolarHBondContact O-N 3.34Å; V52-D55 VanDerWaalsContact O-CB 3.31Å; V52-D55 WeakPolarHBondContact O-CB 3.26Å; V52-D55 PolarHBondContact O-N 2.88Å; V52-D55 VanDerWaalsContact O-N 3.07Å; V52-L58 HydrophobicContact CB-CD2 4.03Å; V52-L58 HydrophobicContact CG2-CD2 4Å; V52-M99 HydrophobicContact CB-CE 4.42Å; V52-M99 HydrophobicContact CG1-CE 3.53Å
53K85.2Confident93.1Very high123 Ų12353.7 Ų53.754%0.53528%0.28SS..THydrogen-bonded Turntrans-58.1125.9173.2-179.3178.6-177-178.40110.5E37 Y40E37-K53 HydrophobicContact CB-CB 4.45Å; E37-K53 WeakPolarHBondContact OE2-CA 3.17Å; E37-K53 WeakPolarHBondContact OE2-CB 3.35Å; E37-K53 PolarHBondContact OE2-N 2.69Å; Y40-K53 HydrophobicContact CD2-CB 4.31Å; Y40-K53 HydrophobicContact CD2-CG 4.11Å; Y40-K53 HydrophobicContact CE2-CG 4.07Å
54G84Confident93.3Very high36 Ų3648.8 Ų48.837%0.37126%0.261SS..THydrogen-bonded Turntrans107.6-19.4-175.500000113.6V52 N56V52-G54 PolarHBondContact O-N 3.34Å; G54-N56 VanDerWaalsContact C-N 3.28Å; G54-N56 PolarHBondContact O-N 3.1Å
55D93Very high93.5Very high1 Ų148.8 Ų48.81%0.00527%0.27CS..  trans-75.779.6171.5-173.59.6000109.9Y40 V52 D57 L58 Q94 Y97Y40-D55 WeakPolarHBondContact CD1-O 3.49Å; Y40-D55 WeakPolarHBondContact CE1-O 3.16Å; V52-D55 VanDerWaalsContact O-CB 3.31Å; V52-D55 WeakPolarHBondContact O-CB 3.26Å; V52-D55 PolarHBondContact O-N 2.88Å; V52-D55 VanDerWaalsContact O-N 3.07Å; D55-D57 PolarHBondContact O-N 2.82Å; D55-L58 HydrophobicContact CB-CB 4.27Å; D55-L58 VanDerWaalsContact O-CB 3.28Å; D55-L58 WeakPolarHBondContact O-CB 3.47Å; D55-L58 PolarHBondContact O-N 3.34Å; D55-Q94 PolarHBondContact OD1-NE2 2.86Å; D55-Q94 PolarHBondContact OD2-OE1 2.64Å; D55-Y97 HydrophobicContact CB-CD1 4.03Å; D55-Y97 HydrophobicContact CB-CD2 3.78Å; D55-Y97 HydrophobicContact CB-CE1 4.03Å; D55-Y97 HydrophobicContact CB-CE2 3.8Å; D55-Y97 HydrophobicContact CB-CG 3.9Å
56N95.6Very high93.6Very high35 Ų3549.2 Ų49.219%0.18727%0.272CS..G310 helixtrans-63.8-32.1-174.4-71.5-33.3000112.5L30 Y40 G54 L58 L59 N85L30-N56 HydrophobicContact CD1-CB 3.9Å; Y40-N56 PolarHBondContact OH-OD1 2.72Å; G54-N56 VanDerWaalsContact C-N 3.28Å; G54-N56 PolarHBondContact O-N 3.1Å; N56-L58 PolarHBondContact O-N 2.98Å; N56-L59 VanDerWaalsContact O-CB 3.28Å; N56-L59 WeakPolarHBondContact O-CB 3.17Å; N56-L59 WeakPolarHBondContact O-CG 3.39Å; N56-L59 PolarHBondContact O-N 2.84Å; N56-L59 VanDerWaalsContact O-N 3.12Å; N56-N85 PolarHBondContact O-ND2 3.43Å
57D96.9Very high93.9Very high7 Ų743.7 Ų43.74%0.03725%0.248CC..G310 helixtrans-58.9-35.3177.8-62.6-122.9000111.8D55 L59 S60 T86 F87 S88 S89 M106D55-D57 PolarHBondContact O-N 2.82Å; D57-L59 PolarHBondContact O-N 2.99Å; D57-S60 PolarHBondContact O-N 3.44Å; D57-T86 WeakPolarHBondContact OD1-CA 3.36Å; D57-F87 PolarHBondContact OD1-N 3.17Å; D57-S88 PolarHBondContact OD1-N 3.2Å; D57-S88 PolarHBondContact OD1-OG 3.12Å; D57-S88 PolarHBondContact OD2-OG 2.89Å; D57-S89 VanDerWaalsContact CB-OG 3.3Å; D57-S89 WeakPolarHBondContact CB-OG 3.41Å; D57-S89 WeakPolarHBondContact OD1-CB 3.45Å; D57-S89 PolarHBondContact OD1-N 3.12Å; D57-S89 PolarHBondContact OD1-OG 3.31Å; D57-M106 HydrophobicContact CB-CE 3.46Å; D57-M106 VanDerWaalsContact CB-CE 3.46Å
58L97.4Very high94.1Very high0 Ų039 Ų390%022%0.219CC..G310 helixtrans-59.1-29.2176.9-177.762.7000113.1Y40 F45 V52 D55 N56 S60 L61 T62 M99 M106Y40-L58 WeakPolarHBondContact O-CD2 3.38Å; F45-L58 HydrophobicContact CD2-CD1 3.82Å; F45-L58 HydrophobicContact CD2-CD2 4.47Å; F45-L58 HydrophobicContact CE2-CD1 3.46Å; F45-L58 VanDerWaalsContact CE2-CD1 3.46Å; F45-L58 HydrophobicContact CZ-CD1 4.02Å; V52-L58 HydrophobicContact CB-CD2 4.03Å; V52-L58 HydrophobicContact CG2-CD2 4Å; D55-L58 HydrophobicContact CB-CB 4.27Å; D55-L58 VanDerWaalsContact O-CB 3.28Å; D55-L58 WeakPolarHBondContact O-CB 3.47Å; D55-L58 PolarHBondContact O-N 3.34Å; N56-L58 PolarHBondContact O-N 2.98Å; L58-S60 PolarHBondContact O-N 3.06Å; L58-S60 VanDerWaalsContact O-N 3.13Å; L58-L61 HydrophobicContact CD1-CD1 4.48Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.2Å; L58-T62 HydrophobicContact CD1-CG2 4.3Å; L58-T62 HydrophobicContact CG-CG2 4.1Å; L58-T62 PolarHBondContact O-N 3.27Å; L58-T62 PolarHBondContact O-OG1 2.93Å; L58-M99 HydrophobicContact CD1-CE 4.2Å; L58-M99 HydrophobicContact CD2-CE 3.98Å; L58-M106 HydrophobicContact CB-CE 4.41Å
59L97.7Very high94.3Very high0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-63.9-20.1-175.7-62.3177.2000112.7L30 L35 Y40 N56 D57 L61 T62 Q63 V67L30-L59 HydrophobicContact CD1-CD1 4.19Å; L30-L59 HydrophobicContact CD2-CD1 3.87Å; L30-L59 HydrophobicContact CG-CD1 4.45Å; L35-L59 HydrophobicContact CD1-CD1 3.75Å; L35-L59 HydrophobicContact CD1-CD2 3.81Å; L35-L59 HydrophobicContact CD1-CG 4.46Å; Y40-L59 HydrophobicContact CD1-CD1 4.47Å; Y40-L59 HydrophobicContact CD1-CD2 3.73Å; Y40-L59 HydrophobicContact CD1-CG 4.06Å; Y40-L59 HydrophobicContact CD2-CD2 4.43Å; Y40-L59 HydrophobicContact CE1-CD1 3.86Å; Y40-L59 HydrophobicContact CE1-CD2 3.96Å; Y40-L59 HydrophobicContact CE1-CG 3.89Å; Y40-L59 HydrophobicContact CG-CD2 3.97Å; N56-L59 VanDerWaalsContact O-CB 3.28Å; N56-L59 WeakPolarHBondContact O-CB 3.17Å; N56-L59 WeakPolarHBondContact O-CG 3.39Å; N56-L59 PolarHBondContact O-N 2.84Å; N56-L59 VanDerWaalsContact O-N 3.12Å; D57-L59 PolarHBondContact O-N 2.99Å; L59-L61 PolarHBondContact O-N 3.45Å; L59-T62 PolarHBondContact O-N 3.41Å; L59-Q63 HydrophobicContact CB-CB 4.35Å; L59-Q63 HydrophobicContact CD2-CB 4.24Å; L59-Q63 HydrophobicContact CD2-CG 3.85Å; L59-Q63 CarbonylContact O-C 3.53Å; L59-Q63 VanDerWaalsContact O-CA 3.25Å; L59-Q63 WeakPolarHBondContact O-CA 3.26Å; L59-Q63 PolarHBondContact O-N 3.2Å; L59-V67 HydrophobicContact CB-CG2 4.31Å
60S97.9Very high94.7Very high3 Ų337.9 Ų37.92%0.02121%0.205CC..Hα-helixtrans-63.7-24.9170.2-59.80000112.9D57 L58 N85 S110 L113D57-S60 PolarHBondContact O-N 3.44Å; L58-S60 PolarHBondContact O-N 3.06Å; L58-S60 VanDerWaalsContact O-N 3.13Å; S60-N85 PolarHBondContact OG-ND2 3.12Å; S60-N85 VanDerWaalsContact OG-ND2 3.16Å; S60-S110 WeakPolarHBondContact CB-OG 3.39Å; S60-S110 PolarHBondContact OG-OG 2.97Å; S60-L113 VanDerWaalsContact O-CD1 3.31Å; S60-L113 WeakPolarHBondContact O-CD1 3.38Å
61L97.8Very high95.3Very high32 Ų3236.2 Ų36.217%0.16820%0.196CC..Hα-helixtrans-93.2-39.5175.2-59.1-176.5000112.4F45 L58 L59 E105 M106 E109F45-L61 HydrophobicContact CE2-CD1 4.47Å; F45-L61 HydrophobicContact CZ-CD1 4.4Å; L58-L61 HydrophobicContact CD1-CD1 4.48Å; L58-L61 WeakPolarHBondContact O-CB 3.46Å; L58-L61 PolarHBondContact O-N 3.2Å; L59-L61 PolarHBondContact O-N 3.45Å; L61-E105 HydrophobicContact CD2-CG 4.19Å; L61-M106 HydrophobicContact CD1-CG 3.59Å; L61-M106 HydrophobicContact CG-CG 4.18Å; L61-E109 HydrophobicContact CD2-CB 3.71Å; L61-E109 HydrophobicContact CD2-CG 3.81Å
62T97.6Very high95.9Very high22 Ų2232.6 Ų32.614%0.13517%0.17CC..Hα-helixtrans-97.1-28.3-170.559.40000113.7Y40 R41 F45 L58 L59 P64Y40-T62 WeakPolarHBondContact O-CB 3.43Å; Y40-T62 VanDerWaalsContact O-CG2 3.27Å; Y40-T62 WeakPolarHBondContact O-CG2 3.46Å; Y40-T62 PolarHBondContact O-OG1 2.91Å; R41-T62 WeakPolarHBondContact O-CG2 3.25Å; F45-T62 HydrophobicContact CD2-CG2 3.74Å; F45-T62 HydrophobicContact CE2-CG2 3.99Å; L58-T62 HydrophobicContact CD1-CG2 4.3Å; L58-T62 HydrophobicContact CG-CG2 4.1Å; L58-T62 PolarHBondContact O-N 3.27Å; L58-T62 PolarHBondContact O-OG1 2.93Å; L59-T62 PolarHBondContact O-N 3.41Å; T62-P64 VanDerWaalsContact C-CD 3.43Å
63Q97.3Very high96.3Very high53 Ų5334 Ų3425%0.24818%0.182CC..  trans-131.850.6179.1-57.9-60.4-24.500112.3L35 A39 L59 N65 I66 V67L35-Q63 HydrophobicContact CD1-CG 4.4Å; A39-Q63 PolarHBondContact O-NE2 3.11Å; L59-Q63 HydrophobicContact CB-CB 4.35Å; L59-Q63 HydrophobicContact CD2-CB 4.24Å; L59-Q63 HydrophobicContact CD2-CG 3.85Å; L59-Q63 CarbonylContact O-C 3.53Å; L59-Q63 VanDerWaalsContact O-CA 3.25Å; L59-Q63 WeakPolarHBondContact O-CA 3.26Å; L59-Q63 PolarHBondContact O-N 3.2Å; Q63-N65 PolarHBondContact O-N 2.99Å; Q63-N65 VanDerWaalsContact O-N 3.07Å; Q63-I66 HydrophobicContact CB-CB 4.36Å; Q63-I66 HydrophobicContact CB-CD1 4.06Å; Q63-I66 HydrophobicContact CB-CG1 4.35Å; Q63-I66 HydrophobicContact CG-CD1 4.38Å; Q63-I66 PolarHBondContact O-N 3.36Å; Q63-V67 PolarHBondContact O-N 2.91Å
64P97.6Very high96.9Very high45 Ų4528.2 Ų28.229%0.29216%0.157SC..Hα-helixtrans-58.8-29.7-17224.1-35.7000113.8T62 V67 Y68 L113T62-P64 VanDerWaalsContact C-CD 3.43Å; P64-V67 PolarHBondContact O-N 3.08Å; P64-Y68 WeakPolarHBondContact O-CB 3.46Å; P64-Y68 PolarHBondContact O-N 3Å; P64-L113 HydrophobicContact CB-CD1 3.72Å; P64-L113 HydrophobicContact CB-CD2 4.1Å
65N97.7Very high97.6Very high122 Ų12226.6 Ų26.665%0.65214%0.14SC*.Hα-helixtrans-64.9-39.5177.8-66.1-22.7000112.1Q63 Y68 E69Q63-N65 PolarHBondContact O-N 2.99Å; Q63-N65 VanDerWaalsContact O-N 3.07Å; N65-Y68 PolarHBondContact O-N 2.98Å; N65-E69 WeakPolarHBondContact O-CB 3.04Å; N65-E69 VanDerWaalsContact O-CG 3.28Å; N65-E69 WeakPolarHBondContact O-CG 3.34Å; N65-E69 PolarHBondContact O-N 2.77Å
66I98Very high97.8Very high20 Ų2033.7 Ų33.710%0.10317%0.171CC..Hα-helixtrans-65-47.3178.8-66.7179.6000109.8L30 Y33 L35 Q63 Y68 E69 I70L30-I66 HydrophobicContact CD2-CG2 3.9Å; Y33-I66 HydrophobicContact CD1-CD1 3.87Å; Y33-I66 HydrophobicContact CD1-CG1 4.2Å; Y33-I66 HydrophobicContact CD1-CG2 4.16Å; Y33-I66 HydrophobicContact CD2-CG2 3.81Å; Y33-I66 HydrophobicContact CE1-CD1 4.25Å; Y33-I66 HydrophobicContact CE1-CG1 4.06Å; Y33-I66 HydrophobicContact CE1-CG2 3.98Å; Y33-I66 HydrophobicContact CE2-CG2 3.63Å; Y33-I66 HydrophobicContact CG-CD1 4.27Å; Y33-I66 HydrophobicContact CG-CG2 4.08Å; L35-I66 HydrophobicContact CD1-CD1 4.23Å; L35-I66 HydrophobicContact CD2-CD1 4.04Å; Q63-I66 HydrophobicContact CB-CB 4.36Å; Q63-I66 HydrophobicContact CB-CD1 4.06Å; Q63-I66 HydrophobicContact CB-CG1 4.35Å; Q63-I66 HydrophobicContact CG-CD1 4.38Å; Q63-I66 PolarHBondContact O-N 3.36Å; I66-Y68 PolarHBondContact O-N 3.39Å; I66-E69 PolarHBondContact O-N 2.92Å; I66-I70 HydrophobicContact CG2-CD1 3.99Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 2.8Å
67V98.2Very high97.9Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-61.6-45178.5179.60000110.8L30 L59 Q63 P64 E69 I70 H71 N85L30-V67 HydrophobicContact CD2-CG2 4.43Å; L59-V67 HydrophobicContact CB-CG2 4.31Å; Q63-V67 PolarHBondContact O-N 2.91Å; P64-V67 PolarHBondContact O-N 3.08Å; V67-E69 PolarHBondContact O-N 3.05Å; V67-I70 PolarHBondContact O-N 2.88Å; V67-H71 PolarHBondContact O-CD2 3.36Å; V67-H71 VanDerWaalsContact O-CD2 3.25Å; V67-H71 PolarHBondContact O-N 3.23Å; V67-H71 VanDerWaalsContact O-N 3.13Å; V67-N85 HydrophobicContact CG1-CB 4.02Å
68Y98.5Very high98Very high59 Ų5933.3 Ų33.323%0.23118%0.175CC..Hα-helixtrans-59.1-44.5175179.6-86000112.4P64 N65 I66 I70 H71 Q72 Q116 A117 D120P64-Y68 WeakPolarHBondContact O-CB 3.46Å; P64-Y68 PolarHBondContact O-N 3Å; N65-Y68 PolarHBondContact O-N 2.98Å; I66-Y68 PolarHBondContact O-N 3.39Å; Y68-I70 VanDerWaalsContact C-N 3.34Å; Y68-I70 PolarHBondContact O-N 3.11Å; Y68-H71 PolarHBondContact O-N 2.81Å; Y68-Q72 HydrophobicContact CD1-CG 4.01Å; Y68-Q72 HydrophobicContact CE1-CG 3.6Å; Y68-Q72 WeakPolarHBondContact O-CG 3.44Å; Y68-Q72 PolarHBondContact O-N 3.18Å; Y68-Q116 HydrophobicContact CE2-CG 4.22Å; Y68-A117 HydrophobicContact CD2-CB 3.79Å; Y68-A117 HydrophobicContact CE2-CB 3.73Å; Y68-D120 PolarHBondContact OH-OD2 3.45Å
69E98.1Very high98Very high106 Ų10633.3 Ų33.350%0.49518%0.175SC..Hα-helixtrans-61.3-40177.1-79175.4-172.300112.6Y33 N65 I66 V67 Q72 A73Y33-E69 PolarHBondContact OH-OE2 3.2Å; N65-E69 WeakPolarHBondContact O-CB 3.04Å; N65-E69 VanDerWaalsContact O-CG 3.28Å; N65-E69 WeakPolarHBondContact O-CG 3.34Å; N65-E69 PolarHBondContact O-N 2.77Å; I66-E69 PolarHBondContact O-N 2.92Å; V67-E69 PolarHBondContact O-N 3.05Å; E69-Q72 WeakPolarHBondContact O-CB 3.25Å; E69-Q72 PolarHBondContact O-N 3.37Å; E69-A73 WeakPolarHBondContact O-CB 3.32Å; E69-A73 PolarHBondContact O-N 2.85Å
70I98.4Very high98Very high1 Ų133.9 Ų33.91%0.00518%0.178CC..Hα-helixtrans-64.1-46.3177.4-67.6167000110.7M26 M29 L30 Y33 I66 V67 Y68 Q72 A73 Y74M26-I70 HydrophobicContact CE-CG2 3.95Å; M26-I70 HydrophobicContact SD-CB 4.34Å; M26-I70 HydrophobicContact SD-CD1 4.09Å; M26-I70 HydrophobicContact SD-CG2 3.79Å; M29-I70 HydrophobicContact CB-CD1 3.76Å; M29-I70 HydrophobicContact CB-CG1 3.93Å; M29-I70 HydrophobicContact CB-CG2 3.78Å; M29-I70 HydrophobicContact CG-CG2 4.07Å; L30-I70 HydrophobicContact CD2-CD1 3.54Å; L30-I70 HydrophobicContact CG-CD1 3.87Å; Y33-I70 HydrophobicContact CE2-CD1 4.12Å; Y33-I70 HydrophobicContact CE2-CG1 4.27Å; I66-I70 HydrophobicContact CG2-CD1 3.99Å; I66-I70 WeakPolarHBondContact O-CG1 3.32Å; I66-I70 PolarHBondContact O-N 2.8Å; V67-I70 PolarHBondContact O-N 2.88Å; Y68-I70 VanDerWaalsContact C-N 3.34Å; Y68-I70 PolarHBondContact O-N 3.11Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.71Å; I70-A73 WeakPolarHBondContact O-CB 3.32Å; I70-A73 PolarHBondContact O-N 3.38Å; I70-A73 VanDerWaalsContact O-N 3.11Å; I70-Y74 HydrophobicContact CG2-CD2 3.88Å; I70-Y74 HydrophobicContact CG2-CE2 3.7Å; I70-Y74 PolarHBondContact O-N 3.05Å; I70-Y74 VanDerWaalsContact O-N 3.09Å
71H98.6Very high98Very high0 Ų033.7 Ų33.70%018%0.177CC..Hα-helixtrans-57.7-45.5174.5-65.9-45000111.5M26 V67 Y68 A73 Y74 M75 I82 E83 A117M26-H71 WeakPolarHBondContact CE-CE1 3.44Å; V67-H71 PolarHBondContact O-CD2 3.36Å; V67-H71 VanDerWaalsContact O-CD2 3.25Å; V67-H71 PolarHBondContact O-N 3.23Å; V67-H71 VanDerWaalsContact O-N 3.13Å; Y68-H71 PolarHBondContact O-N 2.81Å; H71-A73 VanDerWaalsContact C-N 3.3Å; H71-A73 PolarHBondContact O-N 3.15Å; H71-Y74 PolarHBondContact O-N 3.17Å; H71-M75 HydrophobicContact CB-CE 4.32Å; H71-M75 WeakPolarHBondContact O-CE 3.47Å; H71-M75 PolarHBondContact O-N 3.45Å; H71-I82 HydrophobicContact CB-CD1 3.98Å; H71-E83 PolarHBondContact CE1-O 2.92Å; H71-A117 HydrophobicContact CB-CB 3.88Å
72Q98.2Very high98.1Very high19 Ų1932.2 Ų32.29%0.08917%0.169CC..Hα-helixtrans-60-39.1175.9-72.8-65.4-38.700112.2Y68 E69 I70 K76 A117Y68-Q72 HydrophobicContact CD1-CG 4.01Å; Y68-Q72 HydrophobicContact CE1-CG 3.6Å; Y68-Q72 WeakPolarHBondContact O-CG 3.44Å; Y68-Q72 PolarHBondContact O-N 3.18Å; E69-Q72 WeakPolarHBondContact O-CB 3.25Å; E69-Q72 PolarHBondContact O-N 3.37Å; I70-Q72 VanDerWaalsContact C-N 3.31Å; I70-Q72 PolarHBondContact O-N 2.71Å; Q72-K76 WeakPolarHBondContact O-CB 3.28Å; Q72-K76 WeakPolarHBondContact O-CD 3.31Å; Q72-K76 WeakPolarHBondContact O-CG 3.21Å; Q72-K76 PolarHBondContact O-N 2.93Å; Q72-A117 PolarHBondContact NE2-O 3.41Å
73A98.1Very high98.1Very high31 Ų3132.1 Ų32.126%0.25617%0.167SC..Hα-helixtrans-63.8-45.2178.600000112.1E69 I70 H71 K76 A77 P317E69-A73 WeakPolarHBondContact O-CB 3.32Å; E69-A73 PolarHBondContact O-N 2.85Å; I70-A73 WeakPolarHBondContact O-CB 3.32Å; I70-A73 PolarHBondContact O-N 3.38Å; I70-A73 VanDerWaalsContact O-N 3.11Å; H71-A73 VanDerWaalsContact C-N 3.3Å; H71-A73 PolarHBondContact O-N 3.15Å; A73-K76 PolarHBondContact O-N 3.28Å; A73-A77 PolarHBondContact O-N 3.01Å; A73-P317 HydrophobicContact CB-CG 4.01Å
74Y98.6Very high98.2Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-67.3-39.8177.4-76.1-56.8000113.1D23 G24 G25 M29 I70 H71 K76 A77 G78 A79 T315 P317 I320D23-Y74 HydrophobicContact CB-CD1 4.14Å; D23-Y74 HydrophobicContact CB-CD2 3.91Å; D23-Y74 HydrophobicContact CB-CG 3.69Å; G24-Y74 PolarHBondContact O-OH 2.98Å; G25-Y74 PolarHBondContact N-OH 3.41Å; G25-Y74 PolarHBondContact O-OH 2.72Å; G25-Y74 VanDerWaalsContact O-OH 3.1Å; M29-Y74 HydrophobicContact CG-CE2 3.92Å; M29-Y74 WeakPolarHBondContact CG-OH 3.4Å; I70-Y74 HydrophobicContact CG2-CD2 3.88Å; I70-Y74 HydrophobicContact CG2-CE2 3.7Å; I70-Y74 PolarHBondContact O-N 3.05Å; I70-Y74 VanDerWaalsContact O-N 3.09Å; H71-Y74 PolarHBondContact O-N 3.17Å; Y74-K76 PolarHBondContact O-N 3.21Å; Y74-A77 WeakPolarHBondContact O-CB 3.27Å; Y74-A77 PolarHBondContact O-N 3.06Å; Y74-A77 VanDerWaalsContact O-N 3.17Å; Y74-G78 PolarHBondContact O-N 3.2Å; Y74-G78 VanDerWaalsContact O-N 3.12Å; Y74-A79 WeakPolarHBondContact O-CB 3.11Å; Y74-A79 PolarHBondContact O-N 2.76Å; Y74-T315 PolarHBondContact OH-O 3.45Å; Y74-P317 HydrophobicContact CD1-CB 4.47Å; Y74-P317 HydrophobicContact CD1-CG 3.99Å; Y74-P317 HydrophobicContact CE1-CG 3.95Å; Y74-I320 HydrophobicContact CD1-CG1 3.82Å; Y74-I320 HydrophobicContact CE1-CG1 3.95Å
75M98.4Very high98.2Very high3 Ų328 Ų282%0.01515%0.145CC..Hα-helixtrans-65.1-38.7174.9-71.7-176.1-71.600112.4H71 A77 G78 I82 A117 A118 F121 K129H71-M75 HydrophobicContact CB-CE 4.32Å; H71-M75 WeakPolarHBondContact O-CE 3.47Å; H71-M75 PolarHBondContact O-N 3.45Å; M75-A77 VanDerWaalsContact C-N 3.29Å; M75-A77 PolarHBondContact O-N 2.97Å; M75-G78 PolarHBondContact O-N 3.28Å; M75-G78 VanDerWaalsContact O-N 3.12Å; M75-I82 HydrophobicContact CE-CD1 4.26Å; M75-I82 HydrophobicContact CG-CG2 3.76Å; M75-I82 HydrophobicContact SD-CD1 4.19Å; M75-I82 HydrophobicContact SD-CG2 4.49Å; M75-A117 HydrophobicContact CE-CB 3.81Å; M75-A117 WeakPolarHBondContact CE-O 3.39Å; M75-A118 HydrophobicContact SD-CB 4.41Å; M75-F121 HydrophobicContact CB-CD1 4.33Å; M75-F121 HydrophobicContact CB-CD2 3.77Å; M75-F121 HydrophobicContact CB-CE1 4.37Å; M75-F121 HydrophobicContact CB-CE2 3.81Å; M75-F121 HydrophobicContact CB-CG 4.04Å; M75-F121 HydrophobicContact CB-CZ 4.12Å; M75-F121 HydrophobicContact CE-CB 4.02Å; M75-F121 HydrophobicContact CE-CG 4.43Å; M75-F121 WeakPolarHBondContact O-CZ 3.43Å; M75-F121 HydrophobicContact SD-CB 3.84Å; M75-F121 HydrophobicContact SD-CD1 4.44Å; M75-F121 HydrophobicContact SD-CG 4.03Å; M75-K129 HydrophobicContact CG-CD 4.38Å; M75-K129 HydrophobicContact CG-CG 4.32Å; M75-K129 HydrophobicContact SD-CB 4.07Å; M75-K129 HydrophobicContact SD-CG 3.83Å
76K97.6Very high98.2Very high150 Ų15022.2 Ų22.265%0.65211%0.114SC*.Hα-helixtrans-64-33.1172.6-74169.3-173.3171.40112.4Q72 A73 Y74 G78 F121Q72-K76 WeakPolarHBondContact O-CB 3.28Å; Q72-K76 WeakPolarHBondContact O-CD 3.31Å; Q72-K76 WeakPolarHBondContact O-CG 3.21Å; Q72-K76 PolarHBondContact O-N 2.93Å; A73-K76 PolarHBondContact O-N 3.28Å; Y74-K76 PolarHBondContact O-N 3.21Å; K76-G78 VanDerWaalsContact C-N 3.26Å; K76-G78 PolarHBondContact O-N 2.76Å; K76-F121 HydrophobicContact CG-CE2 3.95Å
77A97.9Very high98.2Very high14 Ų1425.2 Ų25.212%0.11613%0.126CC..Hα-helixtrans-71.3-20.6173.800000113.5A73 Y74 M75 P317 I320 S321A73-A77 PolarHBondContact O-N 3.01Å; Y74-A77 WeakPolarHBondContact O-CB 3.27Å; Y74-A77 PolarHBondContact O-N 3.06Å; Y74-A77 VanDerWaalsContact O-N 3.17Å; M75-A77 VanDerWaalsContact C-N 3.29Å; M75-A77 PolarHBondContact O-N 2.97Å; A77-P317 HydrophobicContact CB-CB 3.91Å; A77-P317 WeakPolarHBondContact CB-O 3.15Å; A77-I320 HydrophobicContact CB-CB 4.14Å; A77-I320 HydrophobicContact CB-CG2 4.1Å; A77-S321 WeakPolarHBondContact O-CA 3.28Å
78G97.3Very high98.1Very high19 Ų1926.6 Ų26.620%0.19614%0.136CC..THydrogen-bonded Turntrans120.46173.700000115.2Y74 M75 K76 D80Y74-G78 PolarHBondContact O-N 3.2Å; Y74-G78 VanDerWaalsContact O-N 3.12Å; M75-G78 PolarHBondContact O-N 3.28Å; M75-G78 VanDerWaalsContact O-N 3.12Å; K76-G78 VanDerWaalsContact C-N 3.26Å; K76-G78 PolarHBondContact O-N 2.76Å; G78-D80 PolarHBondContact O-N 2.75Å
79A98.3Very high98Very high0 Ų023.8 Ų23.80%013%0.125CC..  trans-56.4134.4174.800000111.3D23 Y74 K129 I320D23-A79 HydrophobicContact CB-CB 3.99Å; Y74-A79 WeakPolarHBondContact O-CB 3.11Å; Y74-A79 PolarHBondContact O-N 2.76Å; A79-K129 VanDerWaalsContact O-CD 3.3Å; A79-K129 WeakPolarHBondContact O-CD 3.33Å; A79-K129 WeakPolarHBondContact O-CE 3.38Å; A79-K129 PolarHBondContact O-NZ 2.64Å; A79-I320 HydrophobicContact CB-CG2 4.22Å
80D98.1Very high98Very high12 Ų1218.9 Ų18.96%0.06410%0.102CC..SBendtrans-90.6-33175.2-65.4-57.5000112.2R18 M20 I21 G78 K129 F130R18-D80 IonicContact CZ-OD1 3.11Å; R18-D80 IonicContact CZ-OD2 3.48Å; R18-D80 IonicContact NH1-OD1 2.8Å; R18-D80 IonicContact NH1-OD2 3.29Å; R18-D80 PolarHBondContact NH1-OD2 3.05Å; R18-D80 IonicContact NH2-OD1 3.77Å; R18-D80 PolarHBondContact NH2-OD1 3.5Å; R18-D80 IonicContact NH2-OD2 2.77Å; R18-D80 PolarHBondContact NH2-OD2 2.81Å; M20-D80 WeakPolarHBondContact CA-OD2 3.48Å; M20-D80 HydrophobicContact CB-CB 4.49Å; M20-D80 HydrophobicContact CE-CB 3.79Å; I21-D80 PolarHBondContact N-OD2 3.44Å; I21-D80 WeakPolarHBondContact O-CA 3.41Å; I21-D80 WeakPolarHBondContact O-CB 3.46Å; I21-D80 PolarHBondContact O-N 2.96Å; G78-D80 PolarHBondContact O-N 2.75Å; D80-K129 IonicContact OD1-NZ 3.51Å; D80-F130 PolarHBondContact O-N 3.41Å
81I98.5Very high97.9Very high0 Ų024.9 Ų24.90%013%0.125CC..EExtended strand (participates in β ladder)trans-120.4130.4180-48.9175.7000107L11 M20 I21 L22 D23 F130 A132 F212 I308L11-I81 HydrophobicContact CD1-CD1 4.46Å; M20-I81 HydrophobicContact CE-CD1 4.17Å; M20-I81 HydrophobicContact CE-CG1 3.99Å; I21-I81 PolarHBondContact O-N 3.03Å; L22-I81 HydrophobicContact CD1-CB 3.85Å; L22-I81 HydrophobicContact CD1-CG2 3.7Å; D23-I81 PolarHBondContact N-O 2.93Å; I81-F130 WeakPolarHBondContact CA-O 3.49Å; I81-F130 HydrophobicContact CG1-CB 4.26Å; I81-F130 HydrophobicContact CG2-CB 4.49Å; I81-A132 HydrophobicContact CG2-CB 3.82Å; I81-F212 HydrophobicContact CD1-CE2 4.18Å; I81-I308 HydrophobicContact CD1-CD1 4.03Å; I81-I308 HydrophobicContact CD1-CG2 4.46Å
82I98.4Very high97.7Very high1 Ų125.9 Ų25.91%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-113.6140.2171.555.5170.9000110.3D23 H71 M75 A114 A118 F130 V131 A132D23-I82 HydrophobicContact CB-CG2 4.24Å; D23-I82 WeakPolarHBondContact OD2-CA 3.16Å; H71-I82 HydrophobicContact CB-CD1 3.98Å; M75-I82 HydrophobicContact CE-CD1 4.26Å; M75-I82 HydrophobicContact CG-CG2 3.76Å; M75-I82 HydrophobicContact SD-CD1 4.19Å; M75-I82 HydrophobicContact SD-CG2 4.49Å; I82-A114 HydrophobicContact CD1-CB 4.23Å; I82-A118 HydrophobicContact CD1-CB 4.4Å; I82-F130 PolarHBondContact N-O 3Å; I82-V131 HydrophobicContact CD1-CG2 4.4Å; I82-V131 HydrophobicContact CG1-CG2 4.25Å; I82-A132 PolarHBondContact O-N 3.16Å
83E98.5Very high97.5Very high20 Ų2025.5 Ų25.59%0.09313%0.13CC..EExtended strand (participates in β ladder)trans-87.4141.4176.7-65-175.8-100.900111.2L22 D23 H71 A132 L181L22-E83 HydrophobicContact CD1-CG 3.86Å; L22-E83 HydrophobicContact CG-CG 4.38Å; D23-E83 WeakPolarHBondContact OD1-CG 3.5Å; D23-E83 PolarHBondContact OD1-N 3.45Å; D23-E83 VanDerWaalsContact OD1-N 3.16Å; D23-E83 PolarHBondContact OD2-N 2.8Å; D23-E83 VanDerWaalsContact OD2-N 3.09Å; H71-E83 PolarHBondContact CE1-O 2.92Å; E83-A132 CarbonylContact C-O 3.59Å; E83-A132 WeakPolarHBondContact CA-O 3.37Å; E83-A132 HydrophobicContact CG-CB 4.46Å; E83-L181 HydrophobicContact CG-CD2 4.16Å; E83-L181 WeakPolarHBondContact OE2-CD2 3.07Å
84T98.7Very high97.4Very high4 Ų424 Ų243%0.02512%0.118CC..  trans-69.6149.6170.951.60000111.1T86 A111 A114 V131 A132 G133 S134 L172 V177T84-T86 PolarHBondContact O-N 3.26Å; T84-T86 PolarHBondContact OG1-OG1 2.62Å; T84-A111 HydrophobicContact CG2-CB 4.16Å; T84-A114 HydrophobicContact CG2-CB 3.95Å; T84-V131 HydrophobicContact CG2-CG1 3.75Å; T84-A132 PolarHBondContact N-O 2.87Å; T84-A132 PolarHBondContact OG1-O 3.29Å; T84-G133 WeakPolarHBondContact OG1-CA 3.15Å; T84-S134 WeakPolarHBondContact O-CB 3.21Å; T84-S134 PolarHBondContact OG1-N 2.74Å; T84-L172 HydrophobicContact CG2-CD2 4.46Å; T84-V177 HydrophobicContact CG2-CG1 4.05Å
85N98.4Very high97.1Very high8 Ų825.1 Ų25.14%0.04313%0.128CC..SBendtrans-76.864172.5-176.945.2000111.3M26 N56 S60 V67 S110M26-N85 HydrophobicContact CE-CB 4.35Å; M26-N85 HydrophobicContact CG-CB 4.17Å; M26-N85 WeakPolarHBondContact CG-OD1 3.31Å; M26-N85 HydrophobicContact SD-CB 4.43Å; N56-N85 PolarHBondContact O-ND2 3.43Å; S60-N85 PolarHBondContact OG-ND2 3.12Å; S60-N85 VanDerWaalsContact OG-ND2 3.16Å; V67-N85 HydrophobicContact CG1-CB 4.02Å; N85-S110 PolarHBondContact O-OG 2.94Å
86T98.5Very high96.6Very high0 Ų030 Ų300%016%0.155CC..  trans-135.214.1-171.755.30000114.1D57 T84 S88 S89 N107 S134 Q168 L172D57-T86 WeakPolarHBondContact OD1-CA 3.36Å; T84-T86 PolarHBondContact O-N 3.26Å; T84-T86 PolarHBondContact OG1-OG1 2.62Å; T86-S88 PolarHBondContact O-N 2.88Å; T86-S89 WeakPolarHBondContact CA-OG 3.49Å; T86-S89 WeakPolarHBondContact O-CB 3.16Å; T86-S89 PolarHBondContact O-N 2.66Å; T86-N107 WeakPolarHBondContact CB-OD1 3.39Å; T86-S134 CarbonylContact C-O 3.59Å; T86-S134 PolarHBondContact OG1-O 3.38Å; T86-Q168 PolarHBondContact O-NE2 2.89Å; T86-L172 HydrophobicContact CG2-CD2 3.91Å
87F96.9Very high96.4Very high83 Ų8325.8 Ų25.836%0.36414%0.135SC..THydrogen-bonded Turntrans-48.8-39.7-174.3-176-94.8000113.3D57 G136 P137 E183 T184D57-F87 PolarHBondContact OD1-N 3.17Å; F87-G136 WeakPolarHBondContact O-CA 3.25Å; F87-G136 PolarHBondContact O-N 2.86Å; F87-P137 HydrophobicContact CZ-CG 4.34Å; F87-E183 HydrophobicContact CD2-CG 4.35Å; F87-E183 WeakPolarHBondContact CD2-OE1 3.36Å; F87-E183 HydrophobicContact CE2-CG 4.15Å; F87-T184 WeakPolarHBondContact CE2-OG1 3.33Å; F87-T184 HydrophobicContact CZ-CG2 4.26Å
88S95.4Very high96.2Very high29 Ų2929.8 Ų29.820%0.20315%0.152CC..THydrogen-bonded Turntrans-113.412.8-178.579.30000113.7D57 T86 T90 A93 Q94D57-S88 PolarHBondContact OD1-N 3.2Å; D57-S88 PolarHBondContact OD1-OG 3.12Å; D57-S88 PolarHBondContact OD2-OG 2.89Å; T86-S88 PolarHBondContact O-N 2.88Å; S88-T90 PolarHBondContact O-N 2.67Å; S88-A93 WeakPolarHBondContact O-CB 3.33Å; S88-Q94 PolarHBondContact O-NE2 2.95Å; S88-Q94 PolarHBondContact OG-NE2 3.01Å
89S97.3Very high96.2Very high0 Ų028.9 Ų28.90%014%0.142CC..  trans-76.249.2-176.4-66.30000113.2D57 T86 V103 N107 Q168D57-S89 VanDerWaalsContact CB-OG 3.3Å; D57-S89 WeakPolarHBondContact CB-OG 3.41Å; D57-S89 WeakPolarHBondContact OD1-CB 3.45Å; D57-S89 PolarHBondContact OD1-N 3.12Å; D57-S89 PolarHBondContact OD1-OG 3.31Å; T86-S89 WeakPolarHBondContact CA-OG 3.49Å; T86-S89 WeakPolarHBondContact O-CB 3.16Å; T86-S89 PolarHBondContact O-N 2.66Å; S89-V103 WeakPolarHBondContact O-CG1 3.47Å; S89-N107 VanDerWaalsContact CB-ND2 3.35Å; S89-N107 WeakPolarHBondContact CB-ND2 3.48Å; S89-N107 WeakPolarHBondContact CB-OD1 3.49Å; S89-N107 PolarHBondContact O-ND2 2.83Å; S89-Q168 WeakPolarHBondContact O-CG 3.45Å
90T97.5Very high96.1Very high2 Ų232.4 Ų32.41%0.01216%0.158CC..SBendtrans-107.5151.4169.162.10000109.4S88 I92 A93 Q94 T138 Y165S88-T90 PolarHBondContact O-N 2.67Å; T90-I92 PolarHBondContact O-N 3.28Å; T90-I92 VanDerWaalsContact O-N 3.07Å; T90-A93 PolarHBondContact O-N 2.74Å; T90-A93 PolarHBondContact OG1-N 2.78Å; T90-Q94 WeakPolarHBondContact O-CB 3.43Å; T90-Q94 VanDerWaalsContact O-CG 3.22Å; T90-Q94 WeakPolarHBondContact O-CG 3.16Å; T90-Q94 PolarHBondContact O-N 3.27Å; T90-T138 HydrophobicContact CG2-CG2 4.22Å; T90-Y165 HydrophobicContact CG2-CD1 4.36Å; T90-Y165 HydrophobicContact CG2-CE1 4.35Å
91R97Very high96Very high128 Ų12836.8 Ų36.848%0.48319%0.188SC..Hα-helixtrans-53.6-30.8172.8-166.9179.5-61.6178.8-4.2113.7G95 E100 V103 E167R91-G95 PolarHBondContact O-N 3.27Å; R91-E100 HydrophobicContact CG-CB 3.69Å; R91-E100 HydrophobicContact CG-CG 3.57Å; R91-E100 WeakPolarHBondContact O-CG 3.21Å; R91-V103 HydrophobicContact CB-CG2 4.32Å; R91-E167 IonicContact CZ-OE1 2.91Å; R91-E167 IonicContact CZ-OE2 3.37Å; R91-E167 IonicContact NE-OE1 3.54Å; R91-E167 IonicContact NE-OE2 2.93Å; R91-E167 PolarHBondContact NE-OE2 2.97Å; R91-E167 VanDerWaalsContact NE-OE2 3.17Å; R91-E167 IonicContact NH2-OE1 2.68Å; R91-E167 PolarHBondContact NH2-OE1 2.66Å; R91-E167 IonicContact NH2-OE2 2.88Å; R91-E167 PolarHBondContact NH2-OE2 3.32Å; R91-E167 VanDerWaalsContact NH2-OE2 3.17Å
92I95.2Very high96Very high21 Ų2139 Ų3911%0.10820%0.198CC..Hα-helixtrans-72.1-50.7-177.5-62.3156.5000110.8T90 T138 N139 R140 I156 L161 A164T90-I92 PolarHBondContact O-N 3.28Å; T90-I92 VanDerWaalsContact O-N 3.07Å; I92-T138 HydrophobicContact CB-CG2 4.19Å; I92-T138 HydrophobicContact CD1-CG2 4.07Å; I92-T138 HydrophobicContact CG2-CG2 4.33Å; I92-N139 WeakPolarHBondContact CG2-OD1 3.25Å; I92-R140 HydrophobicContact CG2-CB 4.35Å; I92-R140 HydrophobicContact CG2-CG 4.1Å; I92-I156 HydrophobicContact CB-CD1 4.44Å; I92-I156 HydrophobicContact CD1-CD1 3.33Å; I92-I156 HydrophobicContact CG1-CD1 3.67Å; I92-I156 HydrophobicContact CG2-CD1 3.89Å; I92-L161 HydrophobicContact CD1-CD2 3.5Å; I92-L161 HydrophobicContact CD1-CG 4.06Å; I92-A164 HydrophobicContact CD1-CB 3.43Å; I92-A164 VanDerWaalsContact CD1-CB 3.43Å; I92-A164 HydrophobicContact CG1-CB 4Å
93A93.3Very high96Very high11 Ų1138.9 Ų38.99%0.09120%0.198CC..Hα-helixtrans-73.7-39.2179.200000112S88 T90 G95 D96S88-A93 WeakPolarHBondContact O-CB 3.33Å; T90-A93 PolarHBondContact O-N 2.74Å; T90-A93 PolarHBondContact OG1-N 2.78Å; A93-G95 PolarHBondContact O-N 2.84Å; A93-D96 PolarHBondContact O-N 2.99Å; A93-D96 VanDerWaalsContact O-N 3.16Å
94Q96.5Very high95.9Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-67.1-15177.1-67.4-65.7-47.300113.2D55 S88 T90 D96 Y97 Q98 M99 V103D55-Q94 PolarHBondContact OD1-NE2 2.86Å; D55-Q94 PolarHBondContact OD2-OE1 2.64Å; S88-Q94 PolarHBondContact O-NE2 2.95Å; S88-Q94 PolarHBondContact OG-NE2 3.01Å; T90-Q94 WeakPolarHBondContact O-CB 3.43Å; T90-Q94 VanDerWaalsContact O-CG 3.22Å; T90-Q94 WeakPolarHBondContact O-CG 3.16Å; T90-Q94 PolarHBondContact O-N 3.27Å; Q94-D96 PolarHBondContact O-N 3.31Å; Q94-Y97 CarbonylContact O-C 3.55Å; Q94-Y97 PolarHBondContact O-N 2.84Å; Q94-Y97 VanDerWaalsContact O-N 3.16Å; Q94-Q98 PolarHBondContact O-N 3.28Å; Q94-M99 HydrophobicContact CB-CB 4.1Å; Q94-M99 PolarHBondContact O-N 2.9Å; Q94-M99 VanDerWaalsContact OE1-CB 3.27Å; Q94-V103 HydrophobicContact CB-CG2 3.86Å; Q94-V103 HydrophobicContact CG-CG2 3.97Å
95G91.7Very high95.9Very high22 Ų2244.2 Ų44.223%0.22722%0.224CC..G310 helixtrans-63.5-26.7171.400000114.2R91 A93 Y97 Q98 E100R91-G95 PolarHBondContact O-N 3.27Å; A93-G95 PolarHBondContact O-N 2.84Å; G95-Y97 PolarHBondContact O-N 3.09Å; G95-Q98 PolarHBondContact O-N 3.23Å; G95-E100 VanDerWaalsContact CA-CD 3.47Å; G95-E100 WeakPolarHBondContact CA-OE1 3.5Å
96D88.8Confident95.9Very high107 Ų10743.8 Ų43.857%0.57222%0.222SC*.G310 helixtrans-64.7-23.7175.1-71.1-7.6000111.9A93 Q94 N139A93-D96 PolarHBondContact O-N 2.99Å; A93-D96 VanDerWaalsContact O-N 3.16Å; Q94-D96 PolarHBondContact O-N 3.31Å; D96-N139 PolarHBondContact OD1-ND2 3.35Å; D96-N139 PolarHBondContact OD2-ND2 2.83Å
97Y92.2Very high95.9Very high61 Ų6143.8 Ų43.824%0.23922%0.222CC..G310 helixtrans-107.63.7177.7-60-74.5000113.4H48 V50 D55 Q94 G95 M99H48-Y97 PolarHBondContact NE2-O 3.38Å; V50-Y97 VanDerWaalsContact CG2-O 3.3Å; V50-Y97 WeakPolarHBondContact CG2-O 3.42Å; D55-Y97 HydrophobicContact CB-CD1 4.03Å; D55-Y97 HydrophobicContact CB-CD2 3.78Å; D55-Y97 HydrophobicContact CB-CE1 4.03Å; D55-Y97 HydrophobicContact CB-CE2 3.8Å; D55-Y97 HydrophobicContact CB-CG 3.9Å; Q94-Y97 CarbonylContact O-C 3.55Å; Q94-Y97 PolarHBondContact O-N 2.84Å; Q94-Y97 VanDerWaalsContact O-N 3.16Å; G95-Y97 PolarHBondContact O-N 3.09Å; Y97-M99 PolarHBondContact O-N 3.07Å
98Q94.4Very high96Very high98 Ų9844.6 Ų44.646%0.45822%0.222SC..THydrogen-bonded Turntrans55.136.9-172.1-56.4-17810.300113.5H48 V50 Q94 G95 E100H48-Q98 PolarHBondContact CE1-O 2.93Å; H48-Q98 VanDerWaalsContact CE1-O 3.3Å; V50-Q98 HydrophobicContact CG1-CG 4.44Å; V50-Q98 HydrophobicContact CG2-CB 4.24Å; V50-Q98 HydrophobicContact CG2-CG 4.14Å; Q94-Q98 PolarHBondContact O-N 3.28Å; G95-Q98 PolarHBondContact O-N 3.23Å; Q98-E100 WeakPolarHBondContact CA-OE2 3.4Å
99M96.1Very high96.2Very high0 Ų045.1 Ų45.10%022%0.221CC..  trans-104.211.4-176.9-73.8-62.2-175.500113.6F45 V52 L58 Q94 Y97 P101 H102F45-M99 HydrophobicContact CB-CE 4.41Å; F45-M99 HydrophobicContact CD1-CE 3.84Å; F45-M99 HydrophobicContact CD1-SD 4.24Å; F45-M99 HydrophobicContact CE1-CE 4.22Å; F45-M99 HydrophobicContact CE1-SD 4.08Å; F45-M99 HydrophobicContact CG-CE 4.04Å; V52-M99 HydrophobicContact CB-CE 4.42Å; V52-M99 HydrophobicContact CG1-CE 3.53Å; L58-M99 HydrophobicContact CD1-CE 4.2Å; L58-M99 HydrophobicContact CD2-CE 3.98Å; Q94-M99 HydrophobicContact CB-CB 4.1Å; Q94-M99 PolarHBondContact O-N 2.9Å; Q94-M99 VanDerWaalsContact OE1-CB 3.27Å; Y97-M99 PolarHBondContact O-N 3.07Å; M99-P101 VanDerWaalsContact C-N 3.33Å; M99-P101 VanDerWaalsContact O-N 3.17Å; M99-H102 PolarHBondContact O-N 2.91Å
100E96.7Very high96.2Very high73 Ų7345.1 Ų45.134%0.34122%0.221SC..G310 helixtrans-48.7-42.6-179.6-60.498138.700114.5R91 G95 Q98 H102 V103R91-E100 HydrophobicContact CG-CB 3.69Å; R91-E100 HydrophobicContact CG-CG 3.57Å; R91-E100 WeakPolarHBondContact O-CG 3.21Å; G95-E100 VanDerWaalsContact CA-CD 3.47Å; G95-E100 WeakPolarHBondContact CA-OE1 3.5Å; Q98-E100 WeakPolarHBondContact CA-OE2 3.4Å; E100-H102 PolarHBondContact O-N 3.23Å; E100-H102 VanDerWaalsContact O-N 3.14Å; E100-V103 WeakPolarHBondContact O-CG2 3.21Å; E100-V103 PolarHBondContact O-N 3.09Å
101P96.8Very high96.3Very high105 Ų10545 Ų4568%0.68222%0.221SC*.G310 helixtrans-65.8-14.9179.9-21.835.5000114.4M99M99-P101 VanDerWaalsContact C-N 3.33Å; M99-P101 VanDerWaalsContact O-N 3.17Å
102H97.3Very high96.4Very high45 Ų4543.8 Ų43.821%0.20822%0.216CC..G310 helixtrans-103.8-5.8-174.7-61.9-59.3000113.7F45 M99 E100 I104 E105 M106F45-H102 AromaticContact CE1-CD2 3.67Å; F45-H102 AromaticContact CE1-NE2 3.61Å; M99-H102 PolarHBondContact O-N 2.91Å; E100-H102 PolarHBondContact O-N 3.23Å; E100-H102 VanDerWaalsContact O-N 3.14Å; H102-I104 PolarHBondContact O-N 3.42Å; H102-E105 IonicContact ND1-OE2 3.84Å; H102-E105 PolarHBondContact O-N 3.2Å; H102-M106 HydrophobicContact CB-CG 4.3Å; H102-M106 HydrophobicContact CB-SD 4.13Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.26Å
103V97.9Very high96.5Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-52.1-48.9-176.7169.60000113.1S89 R91 Q94 E100 E105 M106 N107 E167S89-V103 WeakPolarHBondContact O-CG1 3.47Å; R91-V103 HydrophobicContact CB-CG2 4.32Å; Q94-V103 HydrophobicContact CB-CG2 3.86Å; Q94-V103 HydrophobicContact CG-CG2 3.97Å; E100-V103 WeakPolarHBondContact O-CG2 3.21Å; E100-V103 PolarHBondContact O-N 3.09Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.31Å; V103-M106 PolarHBondContact O-N 2.82Å; V103-N107 PolarHBondContact O-N 3.42Å; V103-N107 VanDerWaalsContact O-N 3.09Å; V103-N107 PolarHBondContact O-ND2 2.79Å; V103-E167 HydrophobicContact CG1-CG 4.49Å
104I98.3Very high96.7Very high79 Ų7942.7 Ų42.741%0.40521%0.209SC..Hα-helixtrans-60.8-44.4179.5-66.6175.7000110.5H102 R108 E167 A171H102-I104 PolarHBondContact O-N 3.42Å; I104-R108 VanDerWaalsContact O-CB 3.29Å; I104-R108 WeakPolarHBondContact O-CB 3.3Å; I104-R108 PolarHBondContact O-N 3.13Å; I104-E167 HydrophobicContact CD1-CG 4.28Å; I104-E167 WeakPolarHBondContact CD1-OE1 3.45Å; I104-E167 HydrophobicContact CG1-CG 3.76Å; I104-A171 HydrophobicContact CG2-CB 4.15Å; I104-A171 WeakPolarHBondContact O-CB 3.29Å
105E98.1Very high96.8Very high56 Ų5644.1 Ų44.126%0.26221%0.214SC..Hα-helixtrans-69.3-43.5-178.6-172.5-176.9-178.700112R44 L61 H102 V103 N107 R108 E109R44-E105 IonicContact CZ-OE1 3.63Å; R44-E105 IonicContact CZ-OE2 3.71Å; R44-E105 VanDerWaalsContact NH1-CD 3.32Å; R44-E105 IonicContact NH1-OE1 2.81Å; R44-E105 PolarHBondContact NH1-OE1 3.36Å; R44-E105 IonicContact NH1-OE2 2.75Å; R44-E105 PolarHBondContact NH1-OE2 2.95Å; R44-E105 VanDerWaalsContact NH2-CD 3.33Å; R44-E105 IonicContact NH2-OE1 3.77Å; R44-E105 PolarHBondContact NH2-OE1 2.92Å; R44-E105 IonicContact NH2-OE2 3.25Å; R44-E105 PolarHBondContact NH2-OE2 3.31Å; L61-E105 HydrophobicContact CD2-CG 4.19Å; H102-E105 IonicContact ND1-OE2 3.84Å; H102-E105 PolarHBondContact O-N 3.2Å; V103-E105 VanDerWaalsContact C-N 3.32Å; V103-E105 PolarHBondContact O-N 3.31Å; E105-N107 VanDerWaalsContact C-N 3.35Å; E105-N107 PolarHBondContact O-N 2.98Å; E105-R108 PolarHBondContact O-N 3.01Å; E105-E109 HydrophobicContact CG-CG 4.14Å; E105-E109 WeakPolarHBondContact O-CB 3.28Å; E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.94Å
106M98.4Very high97.1Very high0 Ų046.7 Ų46.70%022%0.221CC..Hα-helixtrans-56.6-48.3176.8-72.3171.864.400111.1D57 L58 L61 H102 V103 S110D57-M106 HydrophobicContact CB-CE 3.46Å; D57-M106 VanDerWaalsContact CB-CE 3.46Å; L58-M106 HydrophobicContact CB-CE 4.41Å; L61-M106 HydrophobicContact CD1-CG 3.59Å; L61-M106 HydrophobicContact CG-CG 4.18Å; H102-M106 HydrophobicContact CB-CG 4.3Å; H102-M106 HydrophobicContact CB-SD 4.13Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.26Å; V103-M106 PolarHBondContact O-N 2.82Å; M106-S110 WeakPolarHBondContact O-CB 3.17Å; M106-S110 PolarHBondContact O-N 2.89Å; M106-S110 PolarHBondContact O-OG 2.8Å
107N98.8Very high97.6Very high0 Ų041.6 Ų41.60%019%0.193CC..Hα-helixtrans-64-48.2177.1-78.1-73.3000112.3T86 S89 V103 E105 S110 A111 Q168 A171 L172T86-N107 WeakPolarHBondContact CB-OD1 3.39Å; S89-N107 VanDerWaalsContact CB-ND2 3.35Å; S89-N107 WeakPolarHBondContact CB-ND2 3.48Å; S89-N107 WeakPolarHBondContact CB-OD1 3.49Å; S89-N107 PolarHBondContact O-ND2 2.83Å; V103-N107 PolarHBondContact O-N 3.42Å; V103-N107 VanDerWaalsContact O-N 3.09Å; V103-N107 PolarHBondContact O-ND2 2.79Å; E105-N107 VanDerWaalsContact C-N 3.35Å; E105-N107 PolarHBondContact O-N 2.98Å; N107-S110 PolarHBondContact O-N 2.74Å; N107-A111 WeakPolarHBondContact O-CB 3.44Å; N107-A111 PolarHBondContact O-N 3.36Å; N107-Q168 WeakPolarHBondContact OD1-CG 3.38Å; N107-Q168 PolarHBondContact OD1-NE2 3.18Å; N107-A171 HydrophobicContact CB-CB 3.56Å; N107-L172 HydrophobicContact CB-CD2 4.3Å; N107-L172 HydrophobicContact CB-CG 4.26Å
108R98.6Very high97.8Very high99 Ų9938.7 Ų38.737%0.37418%0.182SC..Hα-helixtrans-63.5-45.4-176.9-170.6-176.670.2-162.8-3.1111.9I104 E105 R112 E174I104-R108 VanDerWaalsContact O-CB 3.29Å; I104-R108 WeakPolarHBondContact O-CB 3.3Å; I104-R108 PolarHBondContact O-N 3.13Å; E105-R108 PolarHBondContact O-N 3.01Å; R108-R112 WeakPolarHBondContact O-CB 3.4Å; R108-R112 PolarHBondContact O-N 3.15Å; R108-E174 HydrophobicContact CG-CB 4.44Å
109E98.4Very high98Very high40 Ų4036.9 Ų36.919%0.18718%0.175CC..Hα-helixtrans-72-37.1180-67.6-52.9130.900112.3L61 E105 R112 L113L61-E109 HydrophobicContact CD2-CB 3.71Å; L61-E109 HydrophobicContact CD2-CG 3.81Å; E105-E109 HydrophobicContact CG-CG 4.14Å; E105-E109 WeakPolarHBondContact O-CB 3.28Å; E105-E109 WeakPolarHBondContact O-CG 3.28Å; E105-E109 PolarHBondContact O-N 2.94Å; E109-R112 PolarHBondContact O-N 3.16Å; E109-R112 IonicContact OE2-CZ 3.35Å; E109-R112 IonicContact OE2-NE 2.72Å; E109-R112 PolarHBondContact OE2-NE 3.01Å; E109-R112 IonicContact OE2-NH2 3.12Å; E109-R112 PolarHBondContact OE2-NH2 3.25Å; E109-L113 WeakPolarHBondContact O-CB 3.23Å; E109-L113 VanDerWaalsContact O-CG 3.3Å; E109-L113 WeakPolarHBondContact O-CG 3.49Å; E109-L113 PolarHBondContact O-N 2.85Å
110S98.7Very high98.1Very high0 Ų040.2 Ų40.20%019%0.193CC..Hα-helixtrans-61.1-46173.3-610000111.7S60 N85 M106 N107 L113 A114S60-S110 WeakPolarHBondContact CB-OG 3.39Å; S60-S110 PolarHBondContact OG-OG 2.97Å; N85-S110 PolarHBondContact O-OG 2.94Å; M106-S110 WeakPolarHBondContact O-CB 3.17Å; M106-S110 PolarHBondContact O-N 2.89Å; M106-S110 PolarHBondContact O-OG 2.8Å; N107-S110 PolarHBondContact O-N 2.74Å; S110-L113 PolarHBondContact O-N 3.18Å; S110-A114 PolarHBondContact O-N 2.98Å
111A98.7Very high98.1Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-63.5-42175.100000112.2T84 N107 L113 A114 R115 L172 G175 V177T84-A111 HydrophobicContact CG2-CB 4.16Å; N107-A111 WeakPolarHBondContact O-CB 3.44Å; N107-A111 PolarHBondContact O-N 3.36Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-A114 PolarHBondContact O-N 2.93Å; A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.39Å; A111-R115 PolarHBondContact O-N 2.94Å; A111-L172 HydrophobicContact CB-CD2 4.17Å; A111-G175 CarbonylContact C-O 3.54Å; A111-V177 HydrophobicContact CB-CG1 3.7Å
112R98.5Very high98Very high103 Ų10335.1 Ų35.139%0.38916%0.16SC..Hα-helixtrans-61.9-41.4176-168.2-166.864.165.64111.9R108 E109 R115 Q116 G175R108-R112 WeakPolarHBondContact O-CB 3.4Å; R108-R112 PolarHBondContact O-N 3.15Å; E109-R112 PolarHBondContact O-N 3.16Å; E109-R112 IonicContact OE2-CZ 3.35Å; E109-R112 IonicContact OE2-NE 2.72Å; E109-R112 PolarHBondContact OE2-NE 3.01Å; E109-R112 IonicContact OE2-NH2 3.12Å; E109-R112 PolarHBondContact OE2-NH2 3.25Å; R112-R115 PolarHBondContact O-N 2.96Å; R112-Q116 VanDerWaalsContact O-CB 3.32Å; R112-Q116 WeakPolarHBondContact O-CB 3.48Å; R112-Q116 PolarHBondContact O-N 3.12Å; R112-G175 PolarHBondContact N-O 2.88Å
113L98.3Very high98Very high9 Ų938.9 Ų38.95%0.04719%0.186CC..Hα-helixtrans-66.4-45.6177.9-76.2169.5000112.1S60 P64 E109 S110 A111 R115 Q116 A117S60-L113 VanDerWaalsContact O-CD1 3.31Å; S60-L113 WeakPolarHBondContact O-CD1 3.38Å; P64-L113 HydrophobicContact CB-CD1 3.72Å; P64-L113 HydrophobicContact CB-CD2 4.1Å; E109-L113 WeakPolarHBondContact O-CB 3.23Å; E109-L113 VanDerWaalsContact O-CG 3.3Å; E109-L113 WeakPolarHBondContact O-CG 3.49Å; E109-L113 PolarHBondContact O-N 2.85Å; S110-L113 PolarHBondContact O-N 3.18Å; A111-L113 PolarHBondContact O-N 3.43Å; L113-R115 VanDerWaalsContact C-N 3.34Å; L113-Q116 PolarHBondContact O-N 2.87Å; L113-A117 PolarHBondContact O-N 3.23Å
114A98.5Very high97.8Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-62.3-42.3175.100000111.4I82 T84 S110 A111 A117 A118 V131I82-A114 HydrophobicContact CD1-CB 4.23Å; T84-A114 HydrophobicContact CG2-CB 3.95Å; S110-A114 PolarHBondContact O-N 2.98Å; A111-A114 PolarHBondContact O-N 2.93Å; A114-A117 PolarHBondContact O-N 2.94Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.25Å; A114-V131 HydrophobicContact CB-CG1 3.68Å; A114-V131 HydrophobicContact CB-CG2 4.38Å
115R98.1Very high97.7Very high29 Ų2944.8 Ų44.811%0.10922%0.22CC..Hα-helixtrans-59.1-48.6173.2176.254.857.8-159.4-2.5111.8A111 R112 L113 A117 A118 D119 G176 D178A111-R115 VanDerWaalsContact O-CB 3.29Å; A111-R115 WeakPolarHBondContact O-CB 3.39Å; A111-R115 PolarHBondContact O-N 2.94Å; R112-R115 PolarHBondContact O-N 2.96Å; L113-R115 VanDerWaalsContact C-N 3.34Å; R115-A117 VanDerWaalsContact C-N 3.33Å; R115-A117 PolarHBondContact O-N 3.25Å; R115-A118 PolarHBondContact O-N 3.1Å; R115-D119 WeakPolarHBondContact CD-OD1 3.43Å; R115-D119 WeakPolarHBondContact CD-OD2 3.13Å; R115-D119 IonicContact NH1-OD1 2.73Å; R115-D119 WeakPolarHBondContact O-CB 3.45Å; R115-D119 VanDerWaalsContact O-CG 3.27Å; R115-D119 PolarHBondContact O-N 3.05Å; R115-G176 VanDerWaalsContact CZ-O 3.25Å; R115-G176 PolarHBondContact NE-O 3.18Å; R115-G176 PolarHBondContact NH2-O 3.46Å; R115-D178 IonicContact CZ-OD1 2.67Å; R115-D178 IonicContact CZ-OD2 2.71Å; R115-D178 IonicContact NH1-OD1 3.19Å; R115-D178 IonicContact NH1-OD2 3.96Å; R115-D178 PolarHBondContact NH1-OD2 3.07Å; R115-D178 IonicContact NH2-OD1 3.54Å; R115-D178 PolarHBondContact NH2-OD1 3.37Å; R115-D178 IonicContact NH2-OD2 3.75Å; R115-D178 PolarHBondContact NH2-OD2 3.1Å
116Q98.2Very high97.3Very high77 Ų7745.2 Ų45.236%0.3624%0.239SC..Hα-helixtrans-57.8-46.8177.4-176.9-176.5-14.700111Y68 R112 L113 A118 D119 D120Y68-Q116 HydrophobicContact CE2-CG 4.22Å; R112-Q116 VanDerWaalsContact O-CB 3.32Å; R112-Q116 WeakPolarHBondContact O-CB 3.48Å; R112-Q116 PolarHBondContact O-N 3.12Å; L113-Q116 PolarHBondContact O-N 2.87Å; Q116-A118 PolarHBondContact O-N 3.46Å; Q116-D119 PolarHBondContact O-N 3.27Å; Q116-D120 WeakPolarHBondContact O-CB 3.15Å; Q116-D120 PolarHBondContact O-N 3.47Å
117A98.1Very high97Very high0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-60-45.3177.400000111.9Y68 H71 Q72 M75 L113 A114 R115 F121Y68-A117 HydrophobicContact CD2-CB 3.79Å; Y68-A117 HydrophobicContact CE2-CB 3.73Å; H71-A117 HydrophobicContact CB-CB 3.88Å; Q72-A117 PolarHBondContact NE2-O 3.41Å; M75-A117 HydrophobicContact CE-CB 3.81Å; M75-A117 WeakPolarHBondContact CE-O 3.39Å; L113-A117 PolarHBondContact O-N 3.23Å; A114-A117 PolarHBondContact O-N 2.94Å; R115-A117 VanDerWaalsContact C-N 3.33Å; R115-A117 PolarHBondContact O-N 3.25Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 PolarHBondContact O-N 3.25Å
118A97.7Very high96.7Very high0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-62.5-45.2178.300000112.3M75 I82 A114 R115 Q116 F121 E122 K129 V131M75-A118 HydrophobicContact SD-CB 4.41Å; I82-A118 HydrophobicContact CD1-CB 4.4Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.25Å; R115-A118 PolarHBondContact O-N 3.1Å; Q116-A118 PolarHBondContact O-N 3.46Å; A118-F121 PolarHBondContact O-N 2.85Å; A118-E122 WeakPolarHBondContact O-CB 3.31Å; A118-E122 PolarHBondContact O-N 2.91Å; A118-K129 HydrophobicContact CB-CB 4.07Å; A118-V131 HydrophobicContact CB-CG2 3.92Å
119D97.2Very high96.6Very high60 Ų6047.7 Ų47.732%0.32126%0.26SS..Hα-helixtrans-68.7-39.2-179.4-67.9-16.5000111.8R7 R115 Q116 E122 T123R7-D119 IonicContact NH2-OD1 2.7Å; R115-D119 WeakPolarHBondContact CD-OD1 3.43Å; R115-D119 WeakPolarHBondContact CD-OD2 3.13Å; R115-D119 IonicContact NH1-OD1 2.73Å; R115-D119 WeakPolarHBondContact O-CB 3.45Å; R115-D119 VanDerWaalsContact O-CG 3.27Å; R115-D119 PolarHBondContact O-N 3.05Å; Q116-D119 PolarHBondContact O-N 3.27Å; D119-E122 PolarHBondContact O-N 3.47Å; D119-T123 WeakPolarHBondContact O-CB 3.27Å; D119-T123 PolarHBondContact O-N 3.03Å; D119-T123 PolarHBondContact O-OG1 2.85Å
120D97.7Very high96.5Very high70 Ų7046 Ų4637%0.37425%0.252SS..Hα-helixtrans-62.5-43.1174-71.9-22.2000111Y68 Q116 T123 L124Y68-D120 PolarHBondContact OH-OD2 3.45Å; Q116-D120 WeakPolarHBondContact O-CB 3.15Å; Q116-D120 PolarHBondContact O-N 3.47Å; D120-T123 PolarHBondContact O-N 2.98Å; D120-L124 WeakPolarHBondContact O-CB 3.42Å; D120-L124 PolarHBondContact O-N 3.38Å
121F97.2Very high96.5Very high19 Ų1946 Ų468%0.08325%0.252CS..Hα-helixtrans-67.6-42.1177.8-170.2-84.5000112.1M75 K76 A117 A118 T123 L124 T125 C127 K129M75-F121 HydrophobicContact CB-CD1 4.33Å; M75-F121 HydrophobicContact CB-CD2 3.77Å; M75-F121 HydrophobicContact CB-CE1 4.37Å; M75-F121 HydrophobicContact CB-CE2 3.81Å; M75-F121 HydrophobicContact CB-CG 4.04Å; M75-F121 HydrophobicContact CB-CZ 4.12Å; M75-F121 HydrophobicContact CE-CB 4.02Å; M75-F121 HydrophobicContact CE-CG 4.43Å; M75-F121 WeakPolarHBondContact O-CZ 3.43Å; M75-F121 HydrophobicContact SD-CB 3.84Å; M75-F121 HydrophobicContact SD-CD1 4.44Å; M75-F121 HydrophobicContact SD-CG 4.03Å; K76-F121 HydrophobicContact CG-CE2 3.95Å; A117-F121 WeakPolarHBondContact O-CB 3.47Å; A117-F121 PolarHBondContact O-N 3.25Å; A118-F121 PolarHBondContact O-N 2.85Å; F121-T123 VanDerWaalsContact C-N 3.33Å; F121-L124 PolarHBondContact O-N 2.94Å; F121-T125 HydrophobicContact CD1-CG2 4.13Å; F121-T125 WeakPolarHBondContact CD1-OG1 3.42Å; F121-T125 HydrophobicContact CE1-CG2 3.75Å; F121-T125 VanDerWaalsContact CE1-OG1 3.3Å; F121-T125 WeakPolarHBondContact CE1-OG1 3.3Å; F121-T125 HydrophobicContact CE2-CG2 4.18Å; F121-T125 HydrophobicContact CG-CG2 4.49Å; F121-T125 HydrophobicContact CZ-CG2 3.8Å; F121-T125 WeakPolarHBondContact O-CB 3.33Å; F121-T125 PolarHBondContact O-N 2.81Å; F121-T125 PolarHBondContact O-OG1 3.17Å; F121-C127 HydrophobicContact CE1-CB 4.39Å; F121-K129 HydrophobicContact CD1-CG 3.91Å; F121-K129 HydrophobicContact CE1-CG 4.46Å
122E95.5Very high96.5Very high51 Ų5146 Ų4624%0.23825%0.252CS..Hα-helixtrans-63.2-40.4175.7-175.9169.1175.600110.8R7 A118 D119 L124 G126R7-E122 IonicContact CZ-OE2 3.98Å; R7-E122 IonicContact NH1-OE2 3.2Å; R7-E122 IonicContact NH2-OE2 3.5Å; R7-E122 PolarHBondContact NH2-OE2 3.36Å; A118-E122 WeakPolarHBondContact O-CB 3.31Å; A118-E122 PolarHBondContact O-N 2.91Å; D119-E122 PolarHBondContact O-N 3.47Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 2.9Å; E122-G126 WeakPolarHBondContact O-CA 3.36Å; E122-G126 PolarHBondContact O-N 3.29Å
123T96.2Very high96.5Very high124 Ų12441.1 Ų41.176%0.76123%0.234SC*.Hα-helixtrans-63.2-39.1174.6-59.30000112D119 D120 F121D119-T123 WeakPolarHBondContact O-CB 3.27Å; D119-T123 PolarHBondContact O-N 3.03Å; D119-T123 PolarHBondContact O-OG1 2.85Å; D120-T123 PolarHBondContact O-N 2.98Å; F121-T123 VanDerWaalsContact C-N 3.33Å
124L94.7Very high96.5Very high142 Ų14240.8 Ų40.874%0.74323%0.233SC*.Hα-helixtrans-75.2-37.9-179-178.163.9000113.4D120 F121 E122D120-L124 WeakPolarHBondContact O-CB 3.42Å; D120-L124 PolarHBondContact O-N 3.38Å; F121-L124 PolarHBondContact O-N 2.94Å; E122-L124 VanDerWaalsContact C-N 3.34Å; E122-L124 PolarHBondContact O-N 2.9Å
125T95Very high96.5Very high62 Ų6240.8 Ų40.838%0.3823%0.233SC..Hα-helixtrans-113.4-14.8-168.165.80000114.4F121 C127F121-T125 HydrophobicContact CD1-CG2 4.13Å; F121-T125 WeakPolarHBondContact CD1-OG1 3.42Å; F121-T125 HydrophobicContact CE1-CG2 3.75Å; F121-T125 VanDerWaalsContact CE1-OG1 3.3Å; F121-T125 WeakPolarHBondContact CE1-OG1 3.3Å; F121-T125 HydrophobicContact CE2-CG2 4.18Å; F121-T125 HydrophobicContact CG-CG2 4.49Å; F121-T125 HydrophobicContact CZ-CG2 3.8Å; F121-T125 WeakPolarHBondContact O-CB 3.33Å; F121-T125 PolarHBondContact O-N 2.81Å; F121-T125 PolarHBondContact O-OG1 3.17Å; T125-C127 PolarHBondContact O-N 3.33Å; T125-C127 WeakPolarHBondContact OG1-CB 3.36Å; T125-C127 PolarHBondContact OG1-N 3.23Å
126G91.7Very high96.4Very high64 Ų6439.5 Ų39.566%0.6623%0.228SC*.  trans69.51.6-169.200000114.3E122E122-G126 WeakPolarHBondContact O-CA 3.36Å; E122-G126 PolarHBondContact O-N 3.29Å
127C90.5Very high96.2Very high65 Ų6537 Ų3744%0.43922%0.219SC..  trans-89.5116.9-179.3-640000110.1F121 T125F121-C127 HydrophobicContact CE1-CB 4.39Å; T125-C127 PolarHBondContact O-N 3.33Å; T125-C127 WeakPolarHBondContact OG1-CB 3.36Å; T125-C127 PolarHBondContact OG1-N 3.23Å
128K92.9Very high95.8Very high73 Ų7337.3 Ų37.332%0.31722%0.221SC..  trans-64.1134.6176.9-171179.4-66.2175.90111.3S10 F130S10-K128 PolarHBondContact OG-NZ 3.14Å; K128-F130 HydrophobicContact CD-CE1 4.2Å; K128-F130 HydrophobicContact CD-CZ 3.89Å; K128-F130 HydrophobicContact CG-CZ 4.33Å
129K96Very high95.2Very high13 Ų1340.9 Ų40.96%0.05724%0.239CC..  trans-125.6147.4176.8-60.1-62.8175-175.60110.9R7 M75 A79 D80 A118 F121R7-K129 PolarHBondContact NH1-O 3.42Å; M75-K129 HydrophobicContact CG-CD 4.38Å; M75-K129 HydrophobicContact CG-CG 4.32Å; M75-K129 HydrophobicContact SD-CB 4.07Å; M75-K129 HydrophobicContact SD-CG 3.83Å; A79-K129 VanDerWaalsContact O-CD 3.3Å; A79-K129 WeakPolarHBondContact O-CD 3.33Å; A79-K129 WeakPolarHBondContact O-CE 3.38Å; A79-K129 PolarHBondContact O-NZ 2.64Å; D80-K129 IonicContact OD1-NZ 3.51Å; A118-K129 HydrophobicContact CB-CB 4.07Å; F121-K129 HydrophobicContact CD1-CG 3.91Å; F121-K129 HydrophobicContact CE1-CG 4.46Å
130F97.9Very high94.9Very high5 Ų542.9 Ų42.92%0.02224%0.243CC..EExtended strand (participates in β ladder)trans-113.1147.4-177.8-59-85.8000111.1R7 L11 M20 D80 I81 I82 K128 D178R7-F130 HydrophobicContact CB-CE1 4.39Å; R7-F130 WeakPolarHBondContact O-CE1 3.41Å; L11-F130 HydrophobicContact CB-CD1 4.33Å; L11-F130 HydrophobicContact CB-CE1 3.84Å; L11-F130 HydrophobicContact CB-CZ 4.08Å; L11-F130 HydrophobicContact CD1-CD1 4.37Å; L11-F130 HydrophobicContact CD1-CD2 4.19Å; L11-F130 HydrophobicContact CD1-CE1 4.43Å; L11-F130 HydrophobicContact CD1-CE2 4.26Å; L11-F130 HydrophobicContact CD1-CG 4.24Å; L11-F130 HydrophobicContact CD1-CZ 4.37Å; M20-F130 HydrophobicContact CE-CD2 3.72Å; M20-F130 HydrophobicContact CE-CE2 3.7Å; D80-F130 PolarHBondContact O-N 3.41Å; I81-F130 WeakPolarHBondContact CA-O 3.49Å; I81-F130 HydrophobicContact CG1-CB 4.26Å; I81-F130 HydrophobicContact CG2-CB 4.49Å; I82-F130 PolarHBondContact N-O 3Å; K128-F130 HydrophobicContact CD-CE1 4.2Å; K128-F130 HydrophobicContact CD-CZ 3.89Å; K128-F130 HydrophobicContact CG-CZ 4.33Å; F130-D178 VanDerWaalsContact CA-OD2 3.29Å; F130-D178 WeakPolarHBondContact CA-OD2 3.24Å; F130-D178 HydrophobicContact CB-CB 4.48Å; F130-D178 HydrophobicContact CD1-CB 4.31Å
131V98.5Very high94.7Very high0 Ų040.6 Ų40.60%023%0.231CC..EExtended strand (participates in β ladder)trans-112.3120.8178.7-178.90000109.8I82 T84 A114 A118 V177 D178 V179I82-V131 HydrophobicContact CD1-CG2 4.4Å; I82-V131 HydrophobicContact CG1-CG2 4.25Å; T84-V131 HydrophobicContact CG2-CG1 3.75Å; A114-V131 HydrophobicContact CB-CG1 3.68Å; A114-V131 HydrophobicContact CB-CG2 4.38Å; A118-V131 HydrophobicContact CB-CG2 3.92Å; V131-V177 HydrophobicContact CG1-CB 4.47Å; V131-V177 HydrophobicContact CG1-CG1 4.09Å; V131-D178 PolarHBondContact N-OD2 3.08Å; V131-D178 PolarHBondContact O-N 2.89Å; V131-V179 PolarHBondContact O-N 2.56Å
132A98.6Very high94.6Very high0 Ų040 Ų400%023%0.229CC..EExtended strand (participates in β ladder)trans-98123.6173.300000110.2I81 I82 E83 T84 S134 V179 L181I81-A132 HydrophobicContact CG2-CB 3.82Å; I82-A132 PolarHBondContact O-N 3.16Å; E83-A132 CarbonylContact C-O 3.59Å; E83-A132 WeakPolarHBondContact CA-O 3.37Å; E83-A132 HydrophobicContact CG-CB 4.46Å; T84-A132 PolarHBondContact N-O 2.87Å; T84-A132 PolarHBondContact OG1-O 3.29Å; A132-S134 PolarHBondContact O-N 3.06Å; A132-V179 CarbonylContact C-O 3.6Å; A132-V179 WeakPolarHBondContact CA-O 3.34Å; A132-L181 HydrophobicContact CB-CB 4.27Å; A132-L181 HydrophobicContact CB-CD2 4.46Å
133G98.6Very high94.4Very high0 Ų037.7 Ų37.70%022%0.218CC..EExtended strand (participates in β ladder)trans-73.998.9170.100000110.3T84 I135 V179 L181T84-G133 WeakPolarHBondContact OG1-CA 3.15Å; G133-I135 PolarHBondContact O-N 2.93Å; G133-V179 PolarHBondContact N-O 2.9Å; G133-L181 PolarHBondContact O-N 3.12Å
134S98.5Very high94Very high3 Ų334.2 Ų34.22%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-67.9125178.8165.80000110.5T84 T86 A132 E183T84-S134 WeakPolarHBondContact O-CB 3.21Å; T84-S134 PolarHBondContact OG1-N 2.74Å; T86-S134 CarbonylContact C-O 3.59Å; T86-S134 PolarHBondContact OG1-O 3.38Å; A132-S134 PolarHBondContact O-N 3.06Å; S134-E183 WeakPolarHBondContact CB-OE1 3.44Å; S134-E183 PolarHBondContact OG-OE1 3.18Å
135I98.6Very high93.6Very high0 Ų028.8 Ų28.80%017%0.168CC..EExtended strand (participates in β ladder)trans-12695.7176-62.7174.9000106.4G133 Y165 Q168 A169 L172 L180 L181 V182 E183 I198G133-I135 PolarHBondContact O-N 2.93Å; I135-Y165 HydrophobicContact CG2-CD1 3.56Å; I135-Y165 HydrophobicContact CG2-CE1 3.65Å; I135-Q168 HydrophobicContact CG1-CG 4.45Å; I135-A169 HydrophobicContact CD1-CB 4.31Å; I135-L172 HydrophobicContact CD1-CD1 4.03Å; I135-L172 HydrophobicContact CG1-CD1 3.74Å; I135-L180 HydrophobicContact CD1-CD2 4.19Å; I135-L181 WeakPolarHBondContact CB-O 3.48Å; I135-L181 PolarHBondContact N-O 2.83Å; I135-V182 HydrophobicContact CB-CG2 4.34Å; I135-V182 HydrophobicContact CD1-CG2 4.4Å; I135-V182 HydrophobicContact CG2-CG2 4.32Å; I135-V182 WeakPolarHBondContact O-CA 3.35Å; I135-E183 PolarHBondContact O-N 3.06Å; I135-I198 HydrophobicContact CD1-CD1 4.41Å
136G95.8Very high92.6Very high1 Ų128.3 Ų28.31%0.0117%0.167CC..  trans-78.9177.5175.700000112.9F87F87-G136 WeakPolarHBondContact O-CA 3.25Å; F87-G136 PolarHBondContact O-N 2.86Å
137P92.9Very high91.6Very high26 Ų2626.9 Ų26.917%0.16915%0.146CC..  trans-70.1158.6172.932.4-36.9000110.7F87 E183 T184 F186F87-P137 HydrophobicContact CZ-CG 4.34Å; P137-E183 WeakPolarHBondContact CD-O 3.28Å; P137-T184 HydrophobicContact CG-CG2 4.3Å; P137-F186 HydrophobicContact CB-CD1 3.99Å; P137-F186 HydrophobicContact CB-CE1 3.43Å; P137-F186 VanDerWaalsContact CB-CE1 3.43Å; P137-F186 HydrophobicContact CB-CZ 4.2Å; P137-F186 HydrophobicContact CG-CD1 4.06Å; P137-F186 HydrophobicContact CG-CE1 3.66Å
138T90.4Very high90.6Very high6 Ų626.3 Ų26.34%0.03714%0.141CC..  trans-89.1166.6171.669.50000111.3T90 I92 R140 L161 Y165T90-T138 HydrophobicContact CG2-CG2 4.22Å; I92-T138 HydrophobicContact CB-CG2 4.19Å; I92-T138 HydrophobicContact CD1-CG2 4.07Å; I92-T138 HydrophobicContact CG2-CG2 4.33Å; T138-R140 PolarHBondContact O-N 2.9Å; T138-R140 VanDerWaalsContact O-N 3.17Å; T138-R140 PolarHBondContact OG1-N 2.98Å; T138-R140 PolarHBondContact OG1-O 2.98Å; T138-L161 HydrophobicContact CG2-CD2 3.77Å; T138-L161 WeakPolarHBondContact OG1-CD2 3.31Å; T138-Y165 HydrophobicContact CG2-CE1 4.35Å
139N84.4Confident89.6Confident74 Ų7429.8 Ų29.840%0.39616%0.163SC..SBendtrans-72.45.8172.765.3-13.1000113.7I92 D96I92-N139 WeakPolarHBondContact CG2-OD1 3.25Å; D96-N139 PolarHBondContact OD1-ND2 3.35Å; D96-N139 PolarHBondContact OD2-ND2 2.83Å
140R91.1Very high88.6Confident103 Ų10335 Ų3539%0.38918%0.182SC..  trans-129.4150.3178.8-60.8-174.3-173.1-178.610.1111I92 T138 S155 I156 N190I92-R140 HydrophobicContact CG2-CB 4.35Å; I92-R140 HydrophobicContact CG2-CG 4.1Å; T138-R140 PolarHBondContact O-N 2.9Å; T138-R140 VanDerWaalsContact O-N 3.17Å; T138-R140 PolarHBondContact OG1-N 2.98Å; T138-R140 PolarHBondContact OG1-O 2.98Å; R140-S155 PolarHBondContact NH1-O 3.12Å; R140-I156 HydrophobicContact CB-CB 4.07Å; R140-I156 HydrophobicContact CB-CD1 4.35Å; R140-I156 HydrophobicContact CB-CG2 3.68Å; R140-N190 PolarHBondContact O-ND2 2.94Å
141T93Very high87.8Confident22 Ų2236.7 Ų36.714%0.13519%0.193CC..  trans-129.4151.3-171.758.10000111.9L144 F186 D187T141-L144 PolarHBondContact OG1-O 2.87Å; T141-L144 VanDerWaalsContact OG1-O 3.06Å; T141-F186 HydrophobicContact CG2-CE2 3.51Å; T141-F186 HydrophobicContact CG2-CZ 3.92Å; T141-D187 WeakPolarHBondContact CB-OD2 3.42Å
142L95.6Very high87.4Confident7 Ų738.5 Ų38.54%0.03720%0.202CC..SBendtrans-99.3-26.7178.3-73.6171.2000112.6R154 I156 F158 L161 D187 A189 N190 A193L142-R154 VanDerWaalsContact O-CD 3.26Å; L142-R154 WeakPolarHBondContact O-CD 3.37Å; L142-R154 PolarHBondContact O-NE 3.46Å; L142-I156 HydrophobicContact CD2-CG2 4.29Å; L142-F158 HydrophobicContact CD1-CB 4.24Å; L142-F158 HydrophobicContact CD1-CD2 3.84Å; L142-F158 HydrophobicContact CD1-CG 4.39Å; L142-F158 HydrophobicContact CD2-CB 4.43Å; L142-L161 HydrophobicContact CD1-CD1 3.47Å; L142-L161 VanDerWaalsContact CD1-CD1 3.47Å; L142-L161 HydrophobicContact CD2-CD1 3.9Å; L142-L161 HydrophobicContact CG-CD1 3.38Å; L142-D187 PolarHBondContact N-OD2 3.12Å; L142-A189 HydrophobicContact CB-CB 3.61Å; L142-A189 HydrophobicContact CD1-CB 4.24Å; L142-N190 WeakPolarHBondContact CG-OD1 3.44Å; L142-N190 PolarHBondContact N-OD1 3.26Å; L142-N190 VanDerWaalsContact N-OD1 3.08Å; L142-A193 HydrophobicContact CD1-CB 4.2Å
143S92.1Very high86.9Confident1 Ų141.7 Ų41.71%0.00722%0.216CC..SBendtrans-89.4-28.2180-60.80000113.1R154 D187 A189 Q453S143-R154 PolarHBondContact O-NH2 3.35Å; S143-D187 VanDerWaalsContact CB-OD1 3.22Å; S143-D187 WeakPolarHBondContact CB-OD1 3.42Å; S143-D187 PolarHBondContact N-OD2 3.27Å; S143-D187 PolarHBondContact OG-OD1 2.87Å; S143-A189 WeakPolarHBondContact OG-CB 3.25Å; S143-Q453 WeakPolarHBondContact OG-CB 3.41Å
144L86.9Confident86.6Confident51 Ų5143.2 Ų43.227%0.26722%0.222SC..SBendtrans-109.2131.2-172.2-57.9173.8000110.8T141 L225T141-L144 PolarHBondContact OG1-O 2.87Å; T141-L144 VanDerWaalsContact OG1-O 3.06Å; L144-L225 HydrophobicContact CD1-CD2 4.36Å; L144-L225 HydrophobicContact CD1-CG 4.18Å
145S86.3Confident86.2Confident28 Ų2845 Ų4520%0.19623%0.234CC..  trans-74.1130.3171.8-177.80000110.9S147 R150 P151 F153S145-S147 PolarHBondContact O-N 3.04Å; S145-S147 PolarHBondContact OG-N 3.43Å; S145-S147 VanDerWaalsContact OG-N 3.07Å; S145-S147 PolarHBondContact OG-O 3.41Å; S145-R150 PolarHBondContact OG-O 3.02Å; S145-P151 WeakPolarHBondContact CB-O 3.38Å; S145-F153 WeakPolarHBondContact CA-O 3.28Å; S145-F153 WeakPolarHBondContact CB-O 3.27Å; S145-F153 PolarHBondContact OG-O 3.17Å; S145-F153 VanDerWaalsContact OG-O 3.11Å
146P74.4Confident86Confident53 Ų5345.3 Ų45.334%0.34424%0.236SC..SBendtrans-72.9-14.7169.631.6-34.8000111.8F153 R975P146-F153 HydrophobicContact CG-CD1 3.71Å; P146-F153 HydrophobicContact CG-CE1 3.68Å; P146-R975 PolarHBondContact O-NH1 2.96Å
147S69.8Low86Confident33 Ų3348.6 Ų48.623%0.23126%0.256CS..  trans-97.6134.6179.7-177.50000111.4S145 D149 R150S145-S147 PolarHBondContact O-N 3.04Å; S145-S147 PolarHBondContact OG-N 3.43Å; S145-S147 VanDerWaalsContact OG-N 3.07Å; S145-S147 PolarHBondContact OG-O 3.41Å; S147-D149 PolarHBondContact OG-N 2.91Å; S147-R150 PolarHBondContact OG-N 3.3Å
148V69.8Low86.3Confident54 Ų5447.6 Ų47.633%0.32725%0.249SC..SBendtrans-73-42.6174.61790000111.4R150 R975V148-R150 VanDerWaalsContact C-N 3.33Å; V148-R975 HydrophobicContact CG2-CB 3.82Å; V148-R975 HydrophobicContact CG2-CG 4.06Å
149D71.8Confident86.6Confident146 Ų14651.2 Ų51.278%0.78127%0.268SS*.SBendtrans-86.7-8.5-172.2-52.8-48.7000113S147S147-D149 PolarHBondContact OG-N 2.91Å
150R75.4Confident87.3Confident123 Ų12352.6 Ų52.646%0.46427%0.272SS..  trans-128.676.6-178.3-62-179.560.5-163.2-3.1109.9S145 S147 V148 E152 F153S145-R150 PolarHBondContact OG-O 3.02Å; S147-R150 PolarHBondContact OG-N 3.3Å; V148-R150 VanDerWaalsContact C-N 3.33Å; R150-E152 VanDerWaalsContact C-OE2 3.27Å; R150-E152 WeakPolarHBondContact CA-OE2 3.28Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 3.92Å; R150-E152 PolarHBondContact NE-OE1 2.52Å; R150-E152 IonicContact NH2-OE1 2.69Å; R150-E152 PolarHBondContact O-N 2.93Å; R150-E152 VanDerWaalsContact O-N 3.15Å; R150-F153 HydrophobicContact CB-CB 3.68Å; R150-F153 WeakPolarHBondContact O-CB 3.41Å; R150-F153 PolarHBondContact O-N 3.33Å
151P81.6Confident87.6Confident39 Ų3947.7 Ų47.725%0.25325%0.253SS..THydrogen-bonded Turntrans-57.2-26.317919.7-29.4000112.8S145 F153 R154 L423 S426S145-P151 WeakPolarHBondContact CB-O 3.38Å; P151-F153 VanDerWaalsContact C-N 3.35Å; P151-F153 PolarHBondContact O-N 3.44Å; P151-R154 PolarHBondContact O-NH1 3.33Å; P151-L423 HydrophobicContact CB-CD2 4.05Å; P151-L423 HydrophobicContact CG-CD2 3.65Å; P151-S426 PolarHBondContact O-OG 3.29Å
152E89.2Confident87.9Confident38 Ų3846.7 Ų46.718%0.17825%0.247CC..THydrogen-bonded Turntrans-76.8-16.217681.4-68.917300114.7R150 K419 N422 L423R150-E152 VanDerWaalsContact C-OE2 3.27Å; R150-E152 WeakPolarHBondContact CA-OE2 3.28Å; R150-E152 IonicContact CZ-OE1 3.59Å; R150-E152 IonicContact NE-OE1 3.92Å; R150-E152 PolarHBondContact NE-OE1 2.52Å; R150-E152 IonicContact NH2-OE1 2.69Å; R150-E152 PolarHBondContact O-N 2.93Å; R150-E152 VanDerWaalsContact O-N 3.15Å; E152-K419 HydrophobicContact CB-CG 4.23Å; E152-K419 HydrophobicContact CG-CG 4.16Å; E152-N422 HydrophobicContact CB-CB 4.37Å; E152-N422 WeakPolarHBondContact O-CB 3.43Å; E152-L423 HydrophobicContact CB-CD1 4.49Å; E152-L423 HydrophobicContact CB-CD2 3.7Å; E152-L423 HydrophobicContact CB-CG 3.7Å
153F89Confident88Confident68 Ų6851 Ų5130%0.29827%0.267SS..  trans-74.4139.8-171.1177.2-109.5000112S145 P146 R150 P151S145-F153 WeakPolarHBondContact CA-O 3.28Å; S145-F153 WeakPolarHBondContact CB-O 3.27Å; S145-F153 PolarHBondContact OG-O 3.17Å; S145-F153 VanDerWaalsContact OG-O 3.11Å; P146-F153 HydrophobicContact CG-CD1 3.71Å; P146-F153 HydrophobicContact CG-CE1 3.68Å; R150-F153 HydrophobicContact CB-CB 3.68Å; R150-F153 WeakPolarHBondContact O-CB 3.41Å; R150-F153 PolarHBondContact O-N 3.33Å; P151-F153 VanDerWaalsContact C-N 3.35Å; P151-F153 PolarHBondContact O-N 3.44Å
154R92.5Very high88.3Confident32 Ų3251.3 Ų51.312%0.12127%0.27CS..  trans-129.8134.9170.3-58.8-62.3179.2-90.81108.9L142 S143 P151 I156 N422L142-R154 VanDerWaalsContact O-CD 3.26Å; L142-R154 WeakPolarHBondContact O-CD 3.37Å; L142-R154 PolarHBondContact O-NE 3.46Å; S143-R154 PolarHBondContact O-NH2 3.35Å; P151-R154 PolarHBondContact O-NH1 3.33Å; R154-I156 WeakPolarHBondContact CB-O 3.49Å; R154-I156 PolarHBondContact O-N 2.72Å; R154-N422 PolarHBondContact NE-OD1 3.03Å; R154-N422 PolarHBondContact NH2-O 2.74Å; R154-N422 PolarHBondContact NH2-OD1 2.96Å
155S89.1Confident88.9Confident39 Ų3949.1 Ų49.127%0.27326%0.259SS..SBendtrans-84.72.4179.154.30000113.7R140R140-S155 PolarHBondContact NH1-O 3.12Å
156I95.2Very high89.4Confident7 Ų749.1 Ų49.14%0.03626%0.255CS..SBendtrans-155152.7178.7-165.4154.5000109.4I92 R140 L142 R154 E160 L161I92-I156 HydrophobicContact CB-CD1 4.44Å; I92-I156 HydrophobicContact CD1-CD1 3.33Å; I92-I156 HydrophobicContact CG1-CD1 3.67Å; I92-I156 HydrophobicContact CG2-CD1 3.89Å; R140-I156 HydrophobicContact CB-CB 4.07Å; R140-I156 HydrophobicContact CB-CD1 4.35Å; R140-I156 HydrophobicContact CB-CG2 3.68Å; L142-I156 HydrophobicContact CD2-CG2 4.29Å; R154-I156 WeakPolarHBondContact CB-O 3.49Å; R154-I156 PolarHBondContact O-N 2.72Å; I156-E160 HydrophobicContact CD1-CB 4.27Å; I156-E160 HydrophobicContact CG1-CB 3.84Å; I156-L161 HydrophobicContact CD1-CD1 4.38Å; I156-L161 HydrophobicContact CD1-CD2 4.06Å; I156-L161 HydrophobicContact CD1-CG 3.7Å; I156-L161 HydrophobicContact CG1-CD1 4.34Å; I156-L161 HydrophobicContact CG1-CG 4.01Å; I156-L161 HydrophobicContact CG2-CD1 3.7Å; I156-L161 HydrophobicContact CG2-CG 4.25Å
157T96.7Very high90.6Very high70 Ų7048.4 Ų48.443%0.42925%0.247SC..  trans-99.6161.5174.963.50000111.7D159 E160 L161T157-D159 VanDerWaalsContact C-N 3.31Å; T157-D159 PolarHBondContact O-N 2.99Å; T157-E160 WeakPolarHBondContact CB-OE2 3.45Å; T157-E160 PolarHBondContact N-OE2 3.27Å; T157-E160 PolarHBondContact O-N 3.02Å; T157-E160 WeakPolarHBondContact OG1-CB 3.45Å; T157-E160 VanDerWaalsContact OG1-CD 3.24Å; T157-E160 WeakPolarHBondContact OG1-CG 3.24Å; T157-E160 PolarHBondContact OG1-N 3.24Å; T157-E160 PolarHBondContact OG1-OE2 2.87Å; T157-L161 PolarHBondContact O-N 3.44Å
158F98.1Very high92Very high5 Ų546.9 Ų46.92%0.02224%0.236CC..Hα-helixtrans-60.4-42.7177.1-176.2-79.8000111.6L142 L161 S162 K192 A193 F196 Q450 Y480L142-F158 HydrophobicContact CD1-CB 4.24Å; L142-F158 HydrophobicContact CD1-CD2 3.84Å; L142-F158 HydrophobicContact CD1-CG 4.39Å; L142-F158 HydrophobicContact CD2-CB 4.43Å; F158-L161 PolarHBondContact O-N 3.02Å; F158-S162 WeakPolarHBondContact O-CB 3.46Å; F158-S162 PolarHBondContact O-N 3.16Å; F158-K192 HydrophobicContact CE2-CB 4.03Å; F158-K192 HydrophobicContact CZ-CB 4.47Å; F158-A193 HydrophobicContact CD1-CB 4.36Å; F158-A193 HydrophobicContact CD2-CB 3.91Å; F158-A193 HydrophobicContact CE1-CB 4.22Å; F158-A193 HydrophobicContact CE2-CB 3.76Å; F158-A193 HydrophobicContact CG-CB 4.21Å; F158-A193 HydrophobicContact CZ-CB 3.93Å; F158-F196 HydrophobicContact CE1-CB 3.89Å; F158-F196 HydrophobicContact CE1-CD1 4.46Å; F158-F196 HydrophobicContact CE1-CD2 4.06Å; F158-F196 AromaticContact CE1-CG 3.9Å; F158-F196 HydrophobicContact CE1-CG 3.9Å; F158-F196 HydrophobicContact CZ-CB 3.94Å; F158-F196 HydrophobicContact CZ-CD2 4.37Å; F158-F196 HydrophobicContact CZ-CG 4.32Å; F158-Q450 HydrophobicContact CB-CB 3.68Å; F158-Q450 HydrophobicContact CB-CG 3.7Å; F158-Q450 HydrophobicContact CD1-CG 3.85Å; F158-Q450 HydrophobicContact CD2-CB 4.2Å; F158-Q450 HydrophobicContact CD2-CG 4.21Å; F158-Q450 HydrophobicContact CG-CB 3.95Å; F158-Q450 HydrophobicContact CG-CG 3.67Å; F158-Y480 HydrophobicContact CD1-CE1 4.11Å; F158-Y480 HydrophobicContact CE1-CD1 4.2Å; F158-Y480 AromaticContact CE1-CE1 3.58Å; F158-Y480 HydrophobicContact CE1-CE1 3.58Å; F158-Y480 HydrophobicContact CE2-CE1 4.49Å; F158-Y480 AromaticContact CZ-CD1 3.94Å; F158-Y480 HydrophobicContact CZ-CD1 3.94Å; F158-Y480 AromaticContact CZ-CE1 3.8Å; F158-Y480 HydrophobicContact CZ-CE1 3.8Å
159D97.9Very high93.3Very high82 Ų8244.3 Ų44.344%0.43922%0.22SC..Hα-helixtrans-65.6-41.3-178.9-66.4-23.6000111.9T157 L161 S162 E163 Q450T157-D159 VanDerWaalsContact C-N 3.31Å; T157-D159 PolarHBondContact O-N 2.99Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 3.4Å; D159-S162 PolarHBondContact O-N 3.2Å; D159-E163 WeakPolarHBondContact O-CB 3.37Å; D159-E163 WeakPolarHBondContact O-CG 3.45Å; D159-E163 PolarHBondContact O-N 2.76Å; D159-Q450 PolarHBondContact OD1-NE2 3.46Å
160E97.9Very high94.6Very high103 Ų10338 Ų3848%0.48119%0.19SC..Hα-helixtrans-60.4-41.5174.5-74.7167.114000112.1I156 T157 A164I156-E160 HydrophobicContact CD1-CB 4.27Å; I156-E160 HydrophobicContact CG1-CB 3.84Å; T157-E160 WeakPolarHBondContact CB-OE2 3.45Å; T157-E160 PolarHBondContact N-OE2 3.27Å; T157-E160 PolarHBondContact O-N 3.02Å; T157-E160 WeakPolarHBondContact OG1-CB 3.45Å; T157-E160 VanDerWaalsContact OG1-CD 3.24Å; T157-E160 WeakPolarHBondContact OG1-CG 3.24Å; T157-E160 PolarHBondContact OG1-N 3.24Å; T157-E160 PolarHBondContact OG1-OE2 2.87Å; E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.04Å; E160-A164 VanDerWaalsContact O-N 3.08Å
161L98.1Very high95.7Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-66.9-45.7175-85.4162.1000112I92 T138 L142 I156 T157 F158 D159 E163 A164 Y165 A193I92-L161 HydrophobicContact CD1-CD2 3.5Å; I92-L161 HydrophobicContact CD1-CG 4.06Å; T138-L161 HydrophobicContact CG2-CD2 3.77Å; T138-L161 WeakPolarHBondContact OG1-CD2 3.31Å; L142-L161 HydrophobicContact CD1-CD1 3.47Å; L142-L161 VanDerWaalsContact CD1-CD1 3.47Å; L142-L161 HydrophobicContact CD2-CD1 3.9Å; L142-L161 HydrophobicContact CG-CD1 3.38Å; I156-L161 HydrophobicContact CD1-CD1 4.38Å; I156-L161 HydrophobicContact CD1-CD2 4.06Å; I156-L161 HydrophobicContact CD1-CG 3.7Å; I156-L161 HydrophobicContact CG1-CD1 4.34Å; I156-L161 HydrophobicContact CG1-CG 4.01Å; I156-L161 HydrophobicContact CG2-CD1 3.7Å; I156-L161 HydrophobicContact CG2-CG 4.25Å; T157-L161 PolarHBondContact O-N 3.44Å; F158-L161 PolarHBondContact O-N 3.02Å; D159-L161 VanDerWaalsContact C-N 3.33Å; D159-L161 PolarHBondContact O-N 3.4Å; L161-E163 PolarHBondContact O-N 2.93Å; L161-A164 PolarHBondContact O-N 2.83Å; L161-Y165 HydrophobicContact CB-CD2 4.44Å; L161-Y165 HydrophobicContact CB-CE2 4.28Å; L161-Y165 HydrophobicContact CD2-CE2 3.88Å; L161-Y165 WeakPolarHBondContact O-CD2 3.33Å; L161-Y165 PolarHBondContact O-N 2.94Å; L161-A193 HydrophobicContact CB-CB 3.8Å
162S98.3Very high96.5Very high2 Ų230.4 Ų30.41%0.01416%0.157CC..Hα-helixtrans-58.3-47178.8173.20000111.5F158 D159 Y165 K166 A193 F196 G197F158-S162 WeakPolarHBondContact O-CB 3.46Å; F158-S162 PolarHBondContact O-N 3.16Å; D159-S162 PolarHBondContact O-N 3.2Å; S162-Y165 PolarHBondContact O-N 3.31Å; S162-K166 VanDerWaalsContact O-CB 3.25Å; S162-K166 WeakPolarHBondContact O-CB 3.42Å; S162-K166 PolarHBondContact O-N 3.42Å; S162-A193 WeakPolarHBondContact CA-O 3.31Å; S162-F196 WeakPolarHBondContact OG-CD1 3.33Å; S162-G197 WeakPolarHBondContact OG-CA 3.17Å; S162-G197 PolarHBondContact OG-N 3.17Å
163E98.3Very high96.9Very high96 Ų9629 Ų2945%0.44915%0.151SC..Hα-helixtrans-66-38.1177.3-71.3-59.5135.400112.3D159 L161 K166 E167D159-E163 WeakPolarHBondContact O-CB 3.37Å; D159-E163 WeakPolarHBondContact O-CG 3.45Å; D159-E163 PolarHBondContact O-N 2.76Å; L161-E163 PolarHBondContact O-N 2.93Å; E163-K166 PolarHBondContact O-N 2.99Å; E163-E167 PolarHBondContact O-N 2.84Å
164A98.2Very high97.3Very high9 Ų932.3 Ų32.37%0.07417%0.167CC..Hα-helixtrans-65-43.517600000112.6I92 E160 L161 E167 Q168I92-A164 HydrophobicContact CD1-CB 3.43Å; I92-A164 VanDerWaalsContact CD1-CB 3.43Å; I92-A164 HydrophobicContact CG1-CB 4Å; E160-A164 WeakPolarHBondContact O-CB 3.27Å; E160-A164 PolarHBondContact O-N 3.04Å; E160-A164 VanDerWaalsContact O-N 3.08Å; L161-A164 PolarHBondContact O-N 2.83Å; A164-E167 PolarHBondContact O-N 2.89Å; A164-Q168 PolarHBondContact O-N 3.32Å; A164-Q168 VanDerWaalsContact O-N 3.11Å
165Y98.6Very high97.5Very high5 Ų531.2 Ų31.22%0.0217%0.166CC..Hα-helixtrans-67.4-36.9175.4-72.7-56.9000112.1T90 I135 T138 L161 S162 Q168 A169 A194T90-Y165 HydrophobicContact CG2-CD1 4.36Å; T90-Y165 HydrophobicContact CG2-CE1 4.35Å; I135-Y165 HydrophobicContact CG2-CD1 3.56Å; I135-Y165 HydrophobicContact CG2-CE1 3.65Å; T138-Y165 HydrophobicContact CG2-CE1 4.35Å; L161-Y165 HydrophobicContact CB-CD2 4.44Å; L161-Y165 HydrophobicContact CB-CE2 4.28Å; L161-Y165 HydrophobicContact CD2-CE2 3.88Å; L161-Y165 WeakPolarHBondContact O-CD2 3.33Å; L161-Y165 PolarHBondContact O-N 2.94Å; S162-Y165 PolarHBondContact O-N 3.31Å; Y165-Q168 PolarHBondContact O-N 3.32Å; Y165-A169 VanDerWaalsContact O-CB 3.24Å; Y165-A169 WeakPolarHBondContact O-CB 3.38Å; Y165-A169 PolarHBondContact O-N 2.82Å; Y165-A194 HydrophobicContact CD1-CB 4.15Å; Y165-A194 VanDerWaalsContact CD2-CA 3.43Å; Y165-A194 HydrophobicContact CD2-CB 3.54Å; Y165-A194 HydrophobicContact CE1-CB 4.4Å; Y165-A194 HydrophobicContact CE2-CB 3.81Å; Y165-A194 HydrophobicContact CG-CB 3.71Å
166K98.5Very high97.9Very high28 Ų2830.7 Ų30.712%0.12217%0.166CC..Hα-helixtrans-61-46174.4179.9-176176.2-169.50111.8S162 E163 G170 Q200 L201 E204S162-K166 VanDerWaalsContact O-CB 3.25Å; S162-K166 WeakPolarHBondContact O-CB 3.42Å; S162-K166 PolarHBondContact O-N 3.42Å; E163-K166 PolarHBondContact O-N 2.99Å; K166-G170 PolarHBondContact O-N 2.94Å; K166-Q200 VanDerWaalsContact NZ-NE2 3.15Å; K166-L201 HydrophobicContact CG-CB 4.16Å; K166-E204 WeakPolarHBondContact CE-OE1 3.44Å; K166-E204 WeakPolarHBondContact CE-OE2 3.3Å; K166-E204 IonicContact NZ-OE1 3.22Å; K166-E204 PolarHBondContact NZ-OE1 3.33Å; K166-E204 IonicContact NZ-OE2 3.62Å; K166-E204 PolarHBondContact NZ-OE2 3.12Å
167E98.3Very high98Very high38 Ų3830.9 Ų30.918%0.17817%0.168CC..Hα-helixtrans-58.3-49.4175.4174.1173.1-118.900111.4R91 V103 I104 E163 A164 G170 A171R91-E167 IonicContact CZ-OE1 2.91Å; R91-E167 IonicContact CZ-OE2 3.37Å; R91-E167 IonicContact NE-OE1 3.54Å; R91-E167 IonicContact NE-OE2 2.93Å; R91-E167 PolarHBondContact NE-OE2 2.97Å; R91-E167 VanDerWaalsContact NE-OE2 3.17Å; R91-E167 IonicContact NH2-OE1 2.68Å; R91-E167 PolarHBondContact NH2-OE1 2.66Å; R91-E167 IonicContact NH2-OE2 2.88Å; R91-E167 PolarHBondContact NH2-OE2 3.32Å; R91-E167 VanDerWaalsContact NH2-OE2 3.17Å; V103-E167 HydrophobicContact CG1-CG 4.49Å; I104-E167 HydrophobicContact CD1-CG 4.28Å; I104-E167 WeakPolarHBondContact CD1-OE1 3.45Å; I104-E167 HydrophobicContact CG1-CG 3.76Å; E163-E167 PolarHBondContact O-N 2.84Å; A164-E167 PolarHBondContact O-N 2.89Å; E167-G170 PolarHBondContact O-N 3.11Å; E167-A171 PolarHBondContact O-N 3.18Å; E167-A171 VanDerWaalsContact O-N 3.17Å
168Q98.6Very high98Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-60.5-51.5179-170.3-179.112.600111.9T86 S89 N107 I135 A164 Y165 G170 A171 L172T86-Q168 PolarHBondContact O-NE2 2.89Å; S89-Q168 WeakPolarHBondContact O-CG 3.45Å; N107-Q168 WeakPolarHBondContact OD1-CG 3.38Å; N107-Q168 PolarHBondContact OD1-NE2 3.18Å; I135-Q168 HydrophobicContact CG1-CG 4.45Å; A164-Q168 PolarHBondContact O-N 3.32Å; A164-Q168 VanDerWaalsContact O-N 3.11Å; Y165-Q168 PolarHBondContact O-N 3.32Å; Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.19Å; Q168-A171 PolarHBondContact O-N 3Å; Q168-L172 HydrophobicContact CG-CD1 4.1Å; Q168-L172 WeakPolarHBondContact O-CG 3.32Å; Q168-L172 PolarHBondContact O-N 2.89Å
169A98.6Very high98Very high0 Ų028.3 Ų28.30%015%0.152CC..Hα-helixtrans-60.5-39.1-179.700000112.2I135 Y165 L172 I173 L180 I198 L201I135-A169 HydrophobicContact CD1-CB 4.31Å; Y165-A169 VanDerWaalsContact O-CB 3.24Å; Y165-A169 WeakPolarHBondContact O-CB 3.38Å; Y165-A169 PolarHBondContact O-N 2.82Å; A169-L172 PolarHBondContact O-N 2.7Å; A169-I173 WeakPolarHBondContact O-CB 3.13Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.24Å; A169-I173 PolarHBondContact O-N 2.94Å; A169-L180 HydrophobicContact CB-CD1 3.84Å; A169-L180 HydrophobicContact CB-CD2 4.34Å; A169-I198 HydrophobicContact CB-CG1 3.95Å; A169-L201 HydrophobicContact CB-CD2 3.72Å
170G98.2Very high98.1Very high13 Ų1324.4 Ų24.413%0.13413%0.131CC..Hα-helixtrans-58.9-50.7175.200000112.1K166 E167 Q168 L172 I173 E174K166-G170 PolarHBondContact O-N 2.94Å; E167-G170 PolarHBondContact O-N 3.11Å; Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.19Å; G170-L172 PolarHBondContact O-N 3.34Å; G170-I173 PolarHBondContact O-N 2.93Å; G170-E174 WeakPolarHBondContact O-CG 3.42Å; G170-E174 PolarHBondContact O-N 3.37Å
171A98.6Very high98.1Very high3 Ų319.5 Ų19.53%0.02511%0.108CC..Hα-helixtrans-64.6-38.2179.800000113.2I104 N107 E167 Q168 E174 G175I104-A171 HydrophobicContact CG2-CB 4.15Å; I104-A171 WeakPolarHBondContact O-CB 3.29Å; N107-A171 HydrophobicContact CB-CB 3.56Å; E167-A171 PolarHBondContact O-N 3.18Å; E167-A171 VanDerWaalsContact O-N 3.17Å; Q168-A171 PolarHBondContact O-N 3Å; A171-E174 PolarHBondContact O-N 3.02Å; A171-G175 PolarHBondContact O-N 3.03Å
172L98.7Very high98.1Very high0 Ų019.7 Ų19.70%011%0.109CC..Hα-helixtrans-62-45.3173.6-72.3168.9000111.5T84 T86 N107 A111 I135 Q168 A169 G170 E174 G175 G176 V177 L180T84-L172 HydrophobicContact CG2-CD2 4.46Å; T86-L172 HydrophobicContact CG2-CD2 3.91Å; N107-L172 HydrophobicContact CB-CD2 4.3Å; N107-L172 HydrophobicContact CB-CG 4.26Å; A111-L172 HydrophobicContact CB-CD2 4.17Å; I135-L172 HydrophobicContact CD1-CD1 4.03Å; I135-L172 HydrophobicContact CG1-CD1 3.74Å; Q168-L172 HydrophobicContact CG-CD1 4.1Å; Q168-L172 WeakPolarHBondContact O-CG 3.32Å; Q168-L172 PolarHBondContact O-N 2.89Å; A169-L172 PolarHBondContact O-N 2.7Å; G170-L172 PolarHBondContact O-N 3.34Å; L172-E174 VanDerWaalsContact C-N 3.33Å; L172-E174 PolarHBondContact O-N 3.2Å; L172-G175 PolarHBondContact O-N 3.48Å; L172-G176 PolarHBondContact O-N 3.42Å; L172-G176 VanDerWaalsContact O-N 3.14Å; L172-V177 HydrophobicContact CB-CG1 4.11Å; L172-V177 HydrophobicContact CB-CG2 4.11Å; L172-V177 HydrophobicContact CD2-CG1 4.23Å; L172-V177 WeakPolarHBondContact O-CG1 3.45Å; L172-V177 WeakPolarHBondContact O-CG2 3.42Å; L172-V177 PolarHBondContact O-N 2.97Å; L172-L180 HydrophobicContact CB-CD2 3.99Å; L172-L180 HydrophobicContact CD1-CD2 3.96Å
173I97.7Very high98.1Very high10 Ų1019.9 Ų19.95%0.05111%0.11CC..Hα-helixtrans-63.4-39177.3-72.8173.3000111.5A169 G170 G176 V177 L180 L201 F202 L205 V209A169-I173 WeakPolarHBondContact O-CB 3.13Å; A169-I173 VanDerWaalsContact O-CG1 3.25Å; A169-I173 WeakPolarHBondContact O-CG1 3.24Å; A169-I173 PolarHBondContact O-N 2.94Å; G170-I173 PolarHBondContact O-N 2.93Å; I173-G176 PolarHBondContact O-N 3.4Å; I173-V177 HydrophobicContact CG1-CG2 4.46Å; I173-L180 HydrophobicContact CD1-CD1 4.15Å; I173-L180 HydrophobicContact CG1-CD1 4.49Å; I173-L180 HydrophobicContact CG1-CD2 4.4Å; I173-L201 HydrophobicContact CD1-CD2 3.95Å; I173-F202 HydrophobicContact CD1-CE1 4.02Å; I173-L205 HydrophobicContact CD1-CD1 4.16Å; I173-L205 HydrophobicContact CG2-CD1 4.19Å; I173-V209 HydrophobicContact CD1-CG1 4.5Å; I173-V209 HydrophobicContact CD1-CG2 3.8Å; I173-V209 HydrophobicContact CG1-CG1 4.37Å; I173-V209 HydrophobicContact CG1-CG2 3.98Å
174E97Very high98Very high136 Ų13616.1 Ų16.164%0.6369%0.093SC*.Hα-helixtrans-64.6-39.3173.7-74.6-178.7-172.400112.5R108 G170 A171 L172 G176R108-E174 HydrophobicContact CG-CB 4.44Å; G170-E174 WeakPolarHBondContact O-CG 3.42Å; G170-E174 PolarHBondContact O-N 3.37Å; A171-E174 PolarHBondContact O-N 3.02Å; L172-E174 VanDerWaalsContact C-N 3.33Å; L172-E174 PolarHBondContact O-N 3.2Å; E174-G176 PolarHBondContact O-N 2.89Å
175G97.3Very high98Very high10 Ų1016.1 Ų16.110%0.1039%0.092CC..Hα-helixtrans-71.5-10.3175.900000114.3A111 R112 A171 L172A111-G175 CarbonylContact C-O 3.54Å; R112-G175 PolarHBondContact N-O 2.88Å; A171-G175 PolarHBondContact O-N 3.03Å; L172-G175 PolarHBondContact O-N 3.48Å
176G96.1Very high97.8Very high27 Ų2717.8 Ų17.828%0.27810%0.099SC..THydrogen-bonded Turntrans95.334.3168.900000115.2R115 L172 I173 E174R115-G176 VanDerWaalsContact CZ-O 3.25Å; R115-G176 PolarHBondContact NE-O 3.18Å; R115-G176 PolarHBondContact NH2-O 3.46Å; L172-G176 PolarHBondContact O-N 3.42Å; L172-G176 VanDerWaalsContact O-N 3.14Å; I173-G176 PolarHBondContact O-N 3.4Å; E174-G176 PolarHBondContact O-N 2.89Å
177V98.1Very high97.7Very high12 Ų1216.6 Ų16.67%0.0739%0.094CC..  trans-64.7152.1169.9-57.60000112.2T84 A111 V131 L172 I173 L180T84-V177 HydrophobicContact CG2-CG1 4.05Å; A111-V177 HydrophobicContact CB-CG1 3.7Å; V131-V177 HydrophobicContact CG1-CB 4.47Å; V131-V177 HydrophobicContact CG1-CG1 4.09Å; L172-V177 HydrophobicContact CB-CG1 4.11Å; L172-V177 HydrophobicContact CB-CG2 4.11Å; L172-V177 HydrophobicContact CD2-CG1 4.23Å; L172-V177 WeakPolarHBondContact O-CG1 3.45Å; L172-V177 WeakPolarHBondContact O-CG2 3.42Å; L172-V177 PolarHBondContact O-N 2.97Å; I173-V177 HydrophobicContact CG1-CG2 4.46Å; V177-L180 HydrophobicContact CG2-CD2 4.09Å
178D97.7Very high97.7Very high20 Ų2014.8 Ų14.811%0.1079%0.086CC..SBendtrans-88.4-30.5173.7-67-51.1000112.5R7 R115 F130 V131 P210R7-D178 WeakPolarHBondContact CD-OD1 3.32Å; R7-D178 IonicContact NE-OD1 2.95Å; R7-D178 IonicContact NH1-OD2 3.58Å; R115-D178 IonicContact CZ-OD1 2.67Å; R115-D178 IonicContact CZ-OD2 2.71Å; R115-D178 IonicContact NH1-OD1 3.19Å; R115-D178 IonicContact NH1-OD2 3.96Å; R115-D178 PolarHBondContact NH1-OD2 3.07Å; R115-D178 IonicContact NH2-OD1 3.54Å; R115-D178 PolarHBondContact NH2-OD1 3.37Å; R115-D178 IonicContact NH2-OD2 3.75Å; R115-D178 PolarHBondContact NH2-OD2 3.1Å; F130-D178 VanDerWaalsContact CA-OD2 3.29Å; F130-D178 WeakPolarHBondContact CA-OD2 3.24Å; F130-D178 HydrophobicContact CB-CB 4.48Å; F130-D178 HydrophobicContact CD1-CB 4.31Å; V131-D178 PolarHBondContact N-OD2 3.08Å; V131-D178 PolarHBondContact O-N 2.89Å; D178-P210 WeakPolarHBondContact O-CD 3.22Å
179V98Very high97.6Very high0 Ų014.9 Ų14.90%09%0.087CC..EExtended strand (participates in β ladder)trans-140.2145.3-173.5-177.90000108.5L11 V131 A132 G133 P210 F212L11-V179 HydrophobicContact CD2-CG2 3.45Å; L11-V179 VanDerWaalsContact CD2-CG2 3.45Å; V131-V179 PolarHBondContact O-N 2.56Å; A132-V179 CarbonylContact C-O 3.6Å; A132-V179 WeakPolarHBondContact CA-O 3.34Å; G133-V179 PolarHBondContact N-O 2.9Å; V179-P210 WeakPolarHBondContact CA-O 3.39Å; V179-P210 HydrophobicContact CG1-CB 4.35Å; V179-P210 WeakPolarHBondContact CG1-O 3.44Å; V179-P210 HydrophobicContact CG2-CB 4.17Å; V179-F212 HydrophobicContact CG1-CB 4.16Å; V179-F212 HydrophobicContact CG1-CD1 3.56Å; V179-F212 HydrophobicContact CG1-CD2 3.84Å; V179-F212 HydrophobicContact CG1-CE1 3.82Å; V179-F212 HydrophobicContact CG1-CE2 4.09Å; V179-F212 HydrophobicContact CG1-CG 3.57Å; V179-F212 HydrophobicContact CG1-CZ 4.09Å; V179-F212 HydrophobicContact CG2-CZ 4.35Å
180L98.7Very high97.6Very high0 Ų015.1 Ų15.10%09%0.088CC..EExtended strand (participates in β ladder)trans-95.9130.9162.5-66.2174.3000108.9I135 A169 L172 I173 V177 I198 F202 V209 P210 L211 F212I135-L180 HydrophobicContact CD1-CD2 4.19Å; A169-L180 HydrophobicContact CB-CD1 3.84Å; A169-L180 HydrophobicContact CB-CD2 4.34Å; L172-L180 HydrophobicContact CB-CD2 3.99Å; L172-L180 HydrophobicContact CD1-CD2 3.96Å; I173-L180 HydrophobicContact CD1-CD1 4.15Å; I173-L180 HydrophobicContact CG1-CD1 4.49Å; I173-L180 HydrophobicContact CG1-CD2 4.4Å; V177-L180 HydrophobicContact CG2-CD2 4.09Å; L180-I198 HydrophobicContact CD1-CD1 4.3Å; L180-I198 HydrophobicContact CD1-CG1 4.35Å; L180-I198 HydrophobicContact CD1-CG2 4.07Å; L180-F202 HydrophobicContact CD1-CE1 4.32Å; L180-F202 HydrophobicContact CD1-CZ 4.26Å; L180-V209 HydrophobicContact CD1-CG2 3.85Å; L180-V209 HydrophobicContact CG-CG2 3.77Å; L180-P210 PolarHBondContact N-O 3.22Å; L180-L211 HydrophobicContact CB-CD1 4.07Å; L180-L211 CarbonylContact O-C 3.51Å; L180-L211 WeakPolarHBondContact O-CA 3.46Å; L180-F212 PolarHBondContact O-N 3.02Å
181L98.7Very high97.6Very high0 Ų014.6 Ų14.60%08%0.082CC..EExtended strand (participates in β ladder)trans-117.1101.9179.7171.458.2000109E83 A132 G133 I135 E183 F212E83-L181 HydrophobicContact CG-CD2 4.16Å; E83-L181 WeakPolarHBondContact OE2-CD2 3.07Å; A132-L181 HydrophobicContact CB-CB 4.27Å; A132-L181 HydrophobicContact CB-CD2 4.46Å; G133-L181 PolarHBondContact O-N 3.12Å; I135-L181 WeakPolarHBondContact CB-O 3.48Å; I135-L181 PolarHBondContact N-O 2.83Å; L181-E183 HydrophobicContact CD1-CB 4.11Å; L181-E183 HydrophobicContact CG-CB 3.99Å; L181-E183 HydrophobicContact CG-CG 4.31Å; L181-F212 HydrophobicContact CB-CB 4.38Å; L181-F212 HydrophobicContact CD1-CB 3.58Å
182V98.7Very high97.6Very high4 Ų414.7 Ų14.72%0.0248%0.082CC..EExtended strand (participates in β ladder)trans-86.6110.9170.6-176.10000107.5I135 I185 A194 I198 L211 F212 M213 S214I135-V182 HydrophobicContact CB-CG2 4.34Å; I135-V182 HydrophobicContact CD1-CG2 4.4Å; I135-V182 HydrophobicContact CG2-CG2 4.32Å; I135-V182 WeakPolarHBondContact O-CA 3.35Å; V182-I185 HydrophobicContact CG1-CD1 3.99Å; V182-I185 HydrophobicContact CG1-CG1 4.09Å; V182-A194 HydrophobicContact CG1-CB 4.11Å; V182-A194 HydrophobicContact CG2-CB 4.33Å; V182-I198 HydrophobicContact CG2-CD1 3.81Å; V182-L211 HydrophobicContact CG2-CD1 3.94Å; V182-F212 PolarHBondContact N-O 3.23Å; V182-M213 HydrophobicContact CB-CE 4.4Å; V182-M213 HydrophobicContact CB-SD 3.7Å; V182-M213 HydrophobicContact CG1-CE 4.41Å; V182-M213 HydrophobicContact CG1-SD 4.32Å; V182-M213 HydrophobicContact CG2-SD 4.03Å; V182-M213 CarbonylContact O-C 3.55Å; V182-M213 VanDerWaalsContact O-CA 3.29Å; V182-M213 WeakPolarHBondContact O-CA 3.41Å; V182-S214 PolarHBondContact O-N 3.44Å
183E98.3Very high97.6Very high7 Ų714.7 Ų14.73%0.0338%0.082CC..EExtended strand (participates in β ladder)trans-130.9172-166.562166.7153.900113.8F87 S134 I135 P137 L181 I185 S214 Y274F87-E183 HydrophobicContact CD2-CG 4.35Å; F87-E183 WeakPolarHBondContact CD2-OE1 3.36Å; F87-E183 HydrophobicContact CE2-CG 4.15Å; S134-E183 WeakPolarHBondContact CB-OE1 3.44Å; S134-E183 PolarHBondContact OG-OE1 3.18Å; I135-E183 PolarHBondContact O-N 3.06Å; P137-E183 WeakPolarHBondContact CD-O 3.28Å; L181-E183 HydrophobicContact CD1-CB 4.11Å; L181-E183 HydrophobicContact CG-CB 3.99Å; L181-E183 HydrophobicContact CG-CG 4.31Å; E183-I185 PolarHBondContact O-N 2.7Å; E183-S214 CarbonylContact C-O 3.57Å; E183-S214 WeakPolarHBondContact CA-O 3.47Å; E183-Y274 WeakPolarHBondContact CB-OH 3.4Å; E183-Y274 WeakPolarHBondContact OE2-CE2 3.45Å; E183-Y274 PolarHBondContact OE2-OH 3.14Å
184T96.2Very high97.6Very high17 Ų1714.2 Ų14.210%0.1048%0.08CC..EExtended strand (participates in β ladder)trans53.438.8-178.7-46.20000111.7F87 P137 F186 S214 T216 N248 C249F87-T184 WeakPolarHBondContact CE2-OG1 3.33Å; F87-T184 HydrophobicContact CZ-CG2 4.26Å; P137-T184 HydrophobicContact CG-CG2 4.3Å; T184-F186 PolarHBondContact O-N 2.86Å; T184-S214 PolarHBondContact N-O 3.39Å; T184-S214 VanDerWaalsContact N-O 3.16Å; T184-T216 VanDerWaalsContact CA-OG1 3.27Å; T184-T216 WeakPolarHBondContact CA-OG1 3.41Å; T184-N248 PolarHBondContact N-OD1 3.36Å; T184-N248 PolarHBondContact OG1-ND2 3.02Å; T184-C249 HydrophobicContact CG2-CB 4.45Å
185I97.9Very high97.7Very high8 Ų87.8 Ų7.84%0.0415%0.05CC..EExtended strand (participates in β ladder)trans-73.9103.6-177.2-57.9160.3000108.6V182 E183 A191 M213 S214 G215 T216 F233V182-I185 HydrophobicContact CG1-CD1 3.99Å; V182-I185 HydrophobicContact CG1-CG1 4.09Å; E183-I185 PolarHBondContact O-N 2.7Å; I185-A191 HydrophobicContact CD1-CB 3.89Å; I185-A191 HydrophobicContact CG1-CB 4.17Å; I185-A191 HydrophobicContact CG2-CB 3.61Å; I185-M213 HydrophobicContact CD1-CE 3.66Å; I185-S214 WeakPolarHBondContact CB-O 3.32Å; I185-S214 WeakPolarHBondContact CD1-O 3.45Å; I185-S214 WeakPolarHBondContact CG1-O 3.22Å; I185-S214 PolarHBondContact N-O 3.23Å; I185-G215 WeakPolarHBondContact O-CA 3.42Å; I185-T216 PolarHBondContact O-N 3.14Å; I185-F233 HydrophobicContact CB-CE2 4.34Å; I185-F233 HydrophobicContact CD1-CE2 4.26Å; I185-F233 HydrophobicContact CD1-CZ 4.19Å; I185-F233 HydrophobicContact CG2-CE2 3.92Å
186F94.7Very high97.8Very high41 Ų418 Ų818%0.185%0.048CC..SBendtrans-102.1-13.8171.667.4-104.8000113P137 T141 T184 T224 L225 S226P137-F186 HydrophobicContact CB-CD1 3.99Å; P137-F186 HydrophobicContact CB-CE1 3.43Å; P137-F186 VanDerWaalsContact CB-CE1 3.43Å; P137-F186 HydrophobicContact CB-CZ 4.2Å; P137-F186 HydrophobicContact CG-CD1 4.06Å; P137-F186 HydrophobicContact CG-CE1 3.66Å; T141-F186 HydrophobicContact CG2-CE2 3.51Å; T141-F186 HydrophobicContact CG2-CZ 3.92Å; T184-F186 PolarHBondContact O-N 2.86Å; F186-T224 WeakPolarHBondContact O-CB 3.37Å; F186-L225 HydrophobicContact CB-CB 3.81Å; F186-L225 HydrophobicContact CD2-CB 3.97Å; F186-L225 HydrophobicContact CD2-CD2 3.75Å; F186-L225 HydrophobicContact CD2-CG 4.41Å; F186-L225 HydrophobicContact CE2-CD2 4.16Å; F186-L225 HydrophobicContact CG-CB 4.25Å; F186-L225 HydrophobicContact CG-CD2 4.28Å; F186-L225 PolarHBondContact O-N 2.9Å; F186-S226 PolarHBondContact O-N 3.03Å; F186-S226 PolarHBondContact O-OG 3.36Å
187D95.7Very high97.9Very high3 Ų36.7 Ų6.72%0.0163%0.034CC..  trans-125.1108.9174.1-177.4-3.4000110T141 L142 S143 A189 N190 A191T141-D187 WeakPolarHBondContact CB-OD2 3.42Å; L142-D187 PolarHBondContact N-OD2 3.12Å; S143-D187 VanDerWaalsContact CB-OD1 3.22Å; S143-D187 WeakPolarHBondContact CB-OD1 3.42Å; S143-D187 PolarHBondContact N-OD2 3.27Å; S143-D187 PolarHBondContact OG-OD1 2.87Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.44Å; D187-A189 PolarHBondContact OD1-N 3.46Å; D187-N190 HydrophobicContact CB-CB 4.32Å; D187-N190 WeakPolarHBondContact O-CB 3.31Å; D187-N190 PolarHBondContact O-N 3.48Å; D187-N190 PolarHBondContact OD2-OD1 3.43Å; D187-A191 PolarHBondContact O-N 3.27Å
188T97.7Very high97.9Very high0 Ų06.1 Ų6.10%03%0.031CC..Hα-helixtrans-66.6-25.9-177.9-49.30000113A191 K192 Q228 F233 I237T188-A191 WeakPolarHBondContact O-CB 3.47Å; T188-A191 PolarHBondContact O-N 3.28Å; T188-K192 WeakPolarHBondContact O-CG 3.03Å; T188-K192 PolarHBondContact O-N 3.06Å; T188-Q228 VanDerWaalsContact CG2-OE1 3.31Å; T188-Q228 PolarHBondContact OG1-OE1 3.26Å; T188-F233 HydrophobicContact CG2-CD2 3.96Å; T188-I237 HydrophobicContact CG2-CG2 3.98Å
189A97.6Very high97.9Very high2 Ų27.3 Ų7.32%0.0174%0.036CC..Hα-helixtrans-66.7-38.417500000111.4L142 S143 D187 A191 K192 A193 Q453L142-A189 HydrophobicContact CB-CB 3.61Å; L142-A189 HydrophobicContact CD1-CB 4.24Å; S143-A189 WeakPolarHBondContact OG-CB 3.25Å; D187-A189 VanDerWaalsContact C-N 3.26Å; D187-A189 PolarHBondContact O-N 3.31Å; D187-A189 WeakPolarHBondContact OD1-CB 3.44Å; D187-A189 PolarHBondContact OD1-N 3.46Å; A189-A191 VanDerWaalsContact C-N 3.32Å; A189-A191 PolarHBondContact O-N 3.46Å; A189-K192 PolarHBondContact O-N 3.03Å; A189-A193 PolarHBondContact O-N 3.39Å; A189-Q453 HydrophobicContact CB-CB 4.02Å
190N98.2Very high97.9Very high5 Ų59.2 Ų9.23%0.0275%0.045CC..Hα-helixtrans-62.3-40.7171.8-77.127.5000111.4R140 L142 D187 K192 A193 A194R140-N190 PolarHBondContact O-ND2 2.94Å; L142-N190 WeakPolarHBondContact CG-OD1 3.44Å; L142-N190 PolarHBondContact N-OD1 3.26Å; L142-N190 VanDerWaalsContact N-OD1 3.08Å; D187-N190 HydrophobicContact CB-CB 4.32Å; D187-N190 WeakPolarHBondContact O-CB 3.31Å; D187-N190 PolarHBondContact O-N 3.48Å; D187-N190 PolarHBondContact OD2-OD1 3.43Å; N190-K192 VanDerWaalsContact C-N 3.34Å; N190-K192 PolarHBondContact O-N 3.34Å; N190-A193 WeakPolarHBondContact O-CB 3.17Å; N190-A193 PolarHBondContact O-N 3.19Å; N190-A194 PolarHBondContact O-N 3.42Å
191A98.2Very high97.8Very high2 Ų29.9 Ų9.92%0.0175%0.048CC..Hα-helixtrans-63.4-39.1175.700000112.5I185 D187 T188 A189 A193 A194 I195 M213 I237I185-A191 HydrophobicContact CD1-CB 3.89Å; I185-A191 HydrophobicContact CG1-CB 4.17Å; I185-A191 HydrophobicContact CG2-CB 3.61Å; D187-A191 PolarHBondContact O-N 3.27Å; T188-A191 WeakPolarHBondContact O-CB 3.47Å; T188-A191 PolarHBondContact O-N 3.28Å; A189-A191 VanDerWaalsContact C-N 3.32Å; A189-A191 PolarHBondContact O-N 3.46Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.1Å; A191-A194 WeakPolarHBondContact O-CB 3.47Å; A191-A194 PolarHBondContact O-N 3.25Å; A191-I195 WeakPolarHBondContact O-CD1 3.36Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.44Å; A191-I195 PolarHBondContact O-N 3.44Å; A191-M213 HydrophobicContact CB-CE 4.03Å; A191-I237 HydrophobicContact CB-CG2 4.33Å
192K98.6Very high97.8Very high5 Ų510.8 Ų10.82%0.0225%0.052CC..Hα-helixtrans-60.4-39.9172.1-70.7174.667.4-176.40111.7F158 T188 A189 N190 I195 F196 F452 G454 Y480F158-K192 HydrophobicContact CE2-CB 4.03Å; F158-K192 HydrophobicContact CZ-CB 4.47Å; T188-K192 WeakPolarHBondContact O-CG 3.03Å; T188-K192 PolarHBondContact O-N 3.06Å; A189-K192 PolarHBondContact O-N 3.03Å; N190-K192 VanDerWaalsContact C-N 3.34Å; N190-K192 PolarHBondContact O-N 3.34Å; K192-I195 PolarHBondContact O-N 3.35Å; K192-F196 WeakPolarHBondContact O-CB 3.24Å; K192-F196 PolarHBondContact O-N 3.36Å; K192-F452 PolarHBondContact NZ-O 3.3Å; K192-G454 PolarHBondContact NZ-O 2.96Å; K192-Y480 WeakPolarHBondContact CE-O 3.45Å
193A98.5Very high97.6Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-64.5-41.8174.100000112.3L142 F158 L161 S162 A189 N190 A191 F196 G197L142-A193 HydrophobicContact CD1-CB 4.2Å; F158-A193 HydrophobicContact CD1-CB 4.36Å; F158-A193 HydrophobicContact CD2-CB 3.91Å; F158-A193 HydrophobicContact CE1-CB 4.22Å; F158-A193 HydrophobicContact CE2-CB 3.76Å; F158-A193 HydrophobicContact CG-CB 4.21Å; F158-A193 HydrophobicContact CZ-CB 3.93Å; L161-A193 HydrophobicContact CB-CB 3.8Å; S162-A193 WeakPolarHBondContact CA-O 3.31Å; A189-A193 PolarHBondContact O-N 3.39Å; N190-A193 WeakPolarHBondContact O-CB 3.17Å; N190-A193 PolarHBondContact O-N 3.19Å; A191-A193 VanDerWaalsContact C-N 3.31Å; A191-A193 PolarHBondContact O-N 3.1Å; A193-F196 PolarHBondContact O-N 3.08Å; A193-G197 PolarHBondContact O-N 2.77Å
194A98.6Very high97.5Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-61.2-46.7174.400000111.9Y165 V182 N190 A191 F196 G197 I198Y165-A194 HydrophobicContact CD1-CB 4.15Å; Y165-A194 VanDerWaalsContact CD2-CA 3.43Å; Y165-A194 HydrophobicContact CD2-CB 3.54Å; Y165-A194 HydrophobicContact CE1-CB 4.4Å; Y165-A194 HydrophobicContact CE2-CB 3.81Å; Y165-A194 HydrophobicContact CG-CB 3.71Å; V182-A194 HydrophobicContact CG1-CB 4.11Å; V182-A194 HydrophobicContact CG2-CB 4.33Å; N190-A194 PolarHBondContact O-N 3.42Å; A191-A194 WeakPolarHBondContact O-CB 3.47Å; A191-A194 PolarHBondContact O-N 3.25Å; A194-F196 VanDerWaalsContact C-N 3.31Å; A194-F196 PolarHBondContact O-N 3.19Å; A194-G197 PolarHBondContact O-N 3.22Å; A194-I198 WeakPolarHBondContact O-CB 3.3Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 VanDerWaalsContact O-CG1 3.22Å; A194-I198 WeakPolarHBondContact O-CG1 3.42Å; A194-I198 PolarHBondContact O-N 3.01Å
195I98.6Very high97.5Very high1 Ų124.2 Ų24.21%0.00512%0.116CC..Hα-helixtrans-58.2-46.1176.3-65.9158.4000110.3A191 K192 I198 Q199 M213 I237 H239 A240A191-I195 WeakPolarHBondContact O-CD1 3.36Å; A191-I195 VanDerWaalsContact O-CG1 3.22Å; A191-I195 WeakPolarHBondContact O-CG1 3.44Å; A191-I195 PolarHBondContact O-N 3.44Å; K192-I195 PolarHBondContact O-N 3.35Å; I195-I198 PolarHBondContact O-N 3.2Å; I195-Q199 HydrophobicContact CG2-CG 4.19Å; I195-Q199 WeakPolarHBondContact O-CB 3.2Å; I195-Q199 VanDerWaalsContact O-CG 3.27Å; I195-Q199 WeakPolarHBondContact O-CG 3.5Å; I195-Q199 PolarHBondContact O-N 3.18Å; I195-M213 HydrophobicContact CD1-CE 3.79Å; I195-M213 HydrophobicContact CG1-CE 3.9Å; I195-M213 HydrophobicContact CG1-SD 4.25Å; I195-I237 HydrophobicContact CD1-CB 3.97Å; I195-I237 HydrophobicContact CD1-CG2 4.09Å; I195-H239 WeakPolarHBondContact CG2-NE2 3.47Å; I195-A240 HydrophobicContact CD1-CB 3.7Å; I195-A240 HydrophobicContact CG1-CB 3.72Å; I195-A240 HydrophobicContact CG2-CB 4.04Å
196F98.6Very high97.3Very high13 Ų1327.2 Ų27.26%0.05715%0.149CC..Hα-helixtrans-59.3-51.3179.8-169.6-74000111.6F158 S162 K192 A193 A194 I198 Q199 Q200 R479 Y480F158-F196 HydrophobicContact CE1-CB 3.89Å; F158-F196 HydrophobicContact CE1-CD1 4.46Å; F158-F196 HydrophobicContact CE1-CD2 4.06Å; F158-F196 AromaticContact CE1-CG 3.9Å; F158-F196 HydrophobicContact CE1-CG 3.9Å; F158-F196 HydrophobicContact CZ-CB 3.94Å; F158-F196 HydrophobicContact CZ-CD2 4.37Å; F158-F196 HydrophobicContact CZ-CG 4.32Å; S162-F196 WeakPolarHBondContact OG-CD1 3.33Å; K192-F196 WeakPolarHBondContact O-CB 3.24Å; K192-F196 PolarHBondContact O-N 3.36Å; A193-F196 PolarHBondContact O-N 3.08Å; A194-F196 VanDerWaalsContact C-N 3.31Å; A194-F196 PolarHBondContact O-N 3.19Å; F196-I198 PolarHBondContact O-N 3.36Å; F196-Q199 PolarHBondContact O-N 3.05Å; F196-Q200 WeakPolarHBondContact O-CB 3.41Å; F196-Q200 PolarHBondContact O-N 3.45Å; F196-R479 HydrophobicContact CB-CG 4.24Å; F196-R479 HydrophobicContact CD1-CG 4.39Å; F196-R479 HydrophobicContact CD2-CB 3.91Å; F196-R479 VanDerWaalsContact CD2-CD 3.46Å; F196-R479 HydrophobicContact CD2-CG 3.39Å; F196-R479 HydrophobicContact CE2-CB 3.93Å; F196-R479 VanDerWaalsContact CE2-CD 3.47Å; F196-R479 HydrophobicContact CE2-CG 3.74Å; F196-R479 HydrophobicContact CG-CG 3.75Å; F196-R479 HydrophobicContact CZ-CG 4.39Å; F196-Y480 HydrophobicContact CD2-CD1 4.01Å; F196-Y480 AromaticContact CD2-CE1 3.89Å; F196-Y480 HydrophobicContact CD2-CE1 3.89Å; F196-Y480 HydrophobicContact CD2-CE2 4.44Å; F196-Y480 HydrophobicContact CD2-CG 4.34Å; F196-Y480 HydrophobicContact CE2-CD1 4.19Å; F196-Y480 HydrophobicContact CE2-CD2 4.06Å; F196-Y480 AromaticContact CE2-CE1 3.82Å; F196-Y480 HydrophobicContact CE2-CE1 3.82Å; F196-Y480 AromaticContact CE2-CE2 3.67Å; F196-Y480 HydrophobicContact CE2-CE2 3.67Å; F196-Y480 HydrophobicContact CE2-CG 4.3Å; F196-Y480 AromaticContact CE2-CZ 3.55Å; F196-Y480 HydrophobicContact CZ-CE2 4.47Å
197G98.2Very high97.1Very high0 Ų030.9 Ų30.90%016%0.161CC..Hα-helixtrans-61.7-43.1179.600000113S162 A193 A194 Q200 L201S162-G197 WeakPolarHBondContact OG-CA 3.17Å; S162-G197 PolarHBondContact OG-N 3.17Å; A193-G197 PolarHBondContact O-N 2.77Å; A194-G197 PolarHBondContact O-N 3.22Å; G197-Q200 PolarHBondContact O-N 2.75Å; G197-L201 WeakPolarHBondContact O-CB 3.21Å; G197-L201 PolarHBondContact O-N 2.72Å
198I98.6Very high96.9Very high1 Ų136.9 Ų36.91%0.00519%0.188CC..Hα-helixtrans-66.6-42.4177.9-69.1168.1000111.3I135 A169 L180 V182 A194 I195 F196 Q200 L201 F202 L211I135-I198 HydrophobicContact CD1-CD1 4.41Å; A169-I198 HydrophobicContact CB-CG1 3.95Å; L180-I198 HydrophobicContact CD1-CD1 4.3Å; L180-I198 HydrophobicContact CD1-CG1 4.35Å; L180-I198 HydrophobicContact CD1-CG2 4.07Å; V182-I198 HydrophobicContact CG2-CD1 3.81Å; A194-I198 WeakPolarHBondContact O-CB 3.3Å; A194-I198 WeakPolarHBondContact O-CD1 3.41Å; A194-I198 VanDerWaalsContact O-CG1 3.22Å; A194-I198 WeakPolarHBondContact O-CG1 3.42Å; A194-I198 PolarHBondContact O-N 3.01Å; I195-I198 PolarHBondContact O-N 3.2Å; F196-I198 PolarHBondContact O-N 3.36Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 2.73Å; I198-L201 WeakPolarHBondContact O-CB 3.48Å; I198-L201 PolarHBondContact O-N 3.18Å; I198-F202 HydrophobicContact CG2-CD1 4.43Å; I198-F202 HydrophobicContact CG2-CD2 4.07Å; I198-F202 HydrophobicContact CG2-CE1 3.87Å; I198-F202 HydrophobicContact CG2-CE2 3.49Å; I198-F202 VanDerWaalsContact CG2-CE2 3.49Å; I198-F202 HydrophobicContact CG2-CZ 3.38Å; I198-F202 VanDerWaalsContact O-CG 3.3Å; I198-F202 WeakPolarHBondContact O-CG 3Å; I198-F202 PolarHBondContact O-N 3.2Å; I198-L211 HydrophobicContact CD1-CD1 4.06Å
199Q97.7Very high96.7Very high45 Ų4537.5 Ų37.521%0.2119%0.191CC..Hα-helixtrans-65.8-37.9177.9-75.5-175.8-5.200112.1I195 F196 F202 E203 H239 R479I195-Q199 HydrophobicContact CG2-CG 4.19Å; I195-Q199 WeakPolarHBondContact O-CB 3.2Å; I195-Q199 VanDerWaalsContact O-CG 3.27Å; I195-Q199 WeakPolarHBondContact O-CG 3.5Å; I195-Q199 PolarHBondContact O-N 3.18Å; F196-Q199 PolarHBondContact O-N 3.05Å; Q199-F202 PolarHBondContact O-N 3Å; Q199-E203 PolarHBondContact O-N 2.98Å; Q199-H239 PolarHBondContact NE2-O 2.76Å; Q199-R479 HydrophobicContact CB-CG 4.22Å
200Q97.4Very high96.7Very high40 Ų4038 Ų3819%0.18719%0.194CC..Hα-helixtrans-64.1-44.2172.7-177.1175.5-30.200111.4K166 F196 G197 I198 F202 E203 E204K166-Q200 VanDerWaalsContact NZ-NE2 3.15Å; F196-Q200 WeakPolarHBondContact O-CB 3.41Å; F196-Q200 PolarHBondContact O-N 3.45Å; G197-Q200 PolarHBondContact O-N 2.75Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 2.73Å; Q200-F202 VanDerWaalsContact C-N 3.31Å; Q200-F202 PolarHBondContact O-N 2.94Å; Q200-E203 PolarHBondContact O-N 3.17Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.4Å; Q200-E204 PolarHBondContact NE2-OE1 3.43Å; Q200-E204 WeakPolarHBondContact O-CG 3.42Å; Q200-E204 PolarHBondContact O-N 3.24Å
201L98.2Very high96.7Very high13 Ų1338.2 Ų38.27%0.06820%0.195CC..Hα-helixtrans-56.9-43.9174.3-178.863.2000112K166 A169 I173 G197 I198 E203 E204 L205K166-L201 HydrophobicContact CG-CB 4.16Å; A169-L201 HydrophobicContact CB-CD2 3.72Å; I173-L201 HydrophobicContact CD1-CD2 3.95Å; G197-L201 WeakPolarHBondContact O-CB 3.21Å; G197-L201 PolarHBondContact O-N 2.72Å; I198-L201 WeakPolarHBondContact O-CB 3.48Å; I198-L201 PolarHBondContact O-N 3.18Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.81Å; L201-E204 PolarHBondContact O-N 2.97Å; L201-L205 HydrophobicContact CD1-CD1 3.87Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.4Å; L201-L205 HydrophobicContact CG-CD1 3.81Å; L201-L205 HydrophobicContact CG-CG 4.21Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.32Å; L201-L205 PolarHBondContact O-N 3.24Å
202F97.3Very high96.8Very high20 Ų2038.1 Ų38.19%0.08819%0.194CC..Hα-helixtrans-63-35.9178.7-69.2-16.7000113.1I173 L180 I198 Q199 Q200 G206 R207 K208 V209I173-F202 HydrophobicContact CD1-CE1 4.02Å; L180-F202 HydrophobicContact CD1-CE1 4.32Å; L180-F202 HydrophobicContact CD1-CZ 4.26Å; I198-F202 HydrophobicContact CG2-CD1 4.43Å; I198-F202 HydrophobicContact CG2-CD2 4.07Å; I198-F202 HydrophobicContact CG2-CE1 3.87Å; I198-F202 HydrophobicContact CG2-CE2 3.49Å; I198-F202 VanDerWaalsContact CG2-CE2 3.49Å; I198-F202 HydrophobicContact CG2-CZ 3.38Å; I198-F202 VanDerWaalsContact O-CG 3.3Å; I198-F202 WeakPolarHBondContact O-CG 3Å; I198-F202 PolarHBondContact O-N 3.2Å; Q199-F202 PolarHBondContact O-N 3Å; Q200-F202 VanDerWaalsContact C-N 3.31Å; Q200-F202 PolarHBondContact O-N 2.94Å; F202-G206 PolarHBondContact O-N 3Å; F202-R207 WeakPolarHBondContact CA-O 3.48Å; F202-R207 PolarHBondContact O-N 2.97Å; F202-K208 HydrophobicContact CB-CG 4.08Å; F202-K208 HydrophobicContact CD2-CB 4.14Å; F202-K208 HydrophobicContact CD2-CD 4.34Å; F202-K208 HydrophobicContact CD2-CG 3.79Å; F202-K208 HydrophobicContact CE2-CB 4.29Å; F202-K208 HydrophobicContact CE2-CG 4.39Å; F202-K208 HydrophobicContact CG-CB 4.33Å; F202-K208 HydrophobicContact CG-CG 3.99Å; F202-V209 HydrophobicContact CE1-CG2 3.74Å; F202-V209 HydrophobicContact CZ-CG2 3.83Å; F202-V209 VanDerWaalsContact CZ-O 3.32Å; F202-V209 WeakPolarHBondContact CZ-O 3.3Å
203E94.4Very high96.8Very high118 Ų11837.9 Ų37.955%0.55119%0.193SC*.Hα-helixtrans-66.6-44.5173.7-172.1170.6-156.700111.1Q199 Q200 L201 G206 R479Q199-E203 PolarHBondContact O-N 2.98Å; Q200-E203 PolarHBondContact O-N 3.17Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.81Å; E203-G206 PolarHBondContact O-N 3.47Å; E203-R479 IonicContact OE2-CZ 2.71Å; E203-R479 IonicContact OE2-NH2 2.68Å; E203-R479 PolarHBondContact OE2-NH2 3.01Å
204E96.9Very high96.8Very high111 Ų11137.9 Ų37.952%0.51919%0.193SC..Hα-helixtrans-64.6-39.8178.2-70.8171.7-16900112.8K166 Q200 L201 G206K166-E204 WeakPolarHBondContact CE-OE1 3.44Å; K166-E204 WeakPolarHBondContact CE-OE2 3.3Å; K166-E204 IonicContact NZ-OE1 3.22Å; K166-E204 PolarHBondContact NZ-OE1 3.33Å; K166-E204 IonicContact NZ-OE2 3.62Å; K166-E204 PolarHBondContact NZ-OE2 3.12Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.4Å; Q200-E204 PolarHBondContact NE2-OE1 3.43Å; Q200-E204 WeakPolarHBondContact O-CG 3.42Å; Q200-E204 PolarHBondContact O-N 3.24Å; L201-E204 PolarHBondContact O-N 2.97Å; E204-G206 VanDerWaalsContact C-N 3.35Å
205L95.3Very high96.7Very high80 Ų8037.9 Ų37.942%0.41919%0.193SC..Hα-helixtrans-79.1-17.1177.9-66.5180000113.4I173 L201 R207I173-L205 HydrophobicContact CD1-CD1 4.16Å; I173-L205 HydrophobicContact CG2-CD1 4.19Å; L201-L205 HydrophobicContact CD1-CD1 3.87Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.4Å; L201-L205 HydrophobicContact CG-CD1 3.81Å; L201-L205 HydrophobicContact CG-CG 4.21Å; L201-L205 WeakPolarHBondContact O-CB 3.4Å; L201-L205 WeakPolarHBondContact O-CG 3.32Å; L201-L205 PolarHBondContact O-N 3.24Å; L205-R207 HydrophobicContact CB-CG 4.04Å; L205-R207 PolarHBondContact O-N 3.16Å
206G93.6Very high96.6Very high72 Ų7238.1 Ų38.174%0.74220%0.195SC*.THydrogen-bonded Turntrans62.817.3-172.700000114.2F202 E203 E204F202-G206 PolarHBondContact O-N 3Å; E203-G206 PolarHBondContact O-N 3.47Å; E204-G206 VanDerWaalsContact C-N 3.35Å
207R90.9Very high96.2Very high117 Ų11737.7 Ų37.744%0.44219%0.193SC..  trans-145.3151.3177.467.8174.2-178.1126.7-10.5110.8F202 L205F202-R207 WeakPolarHBondContact CA-O 3.48Å; F202-R207 PolarHBondContact O-N 2.97Å; L205-R207 HydrophobicContact CB-CG 4.04Å; L205-R207 PolarHBondContact O-N 3.16Å
208K91.7Very high95.3Very high130 Ų13040.4 Ų40.457%0.56521%0.21SC*.  trans-107.4152.1173.5-61.4-173.7175.6-172.40110.1F202 E241F202-K208 HydrophobicContact CB-CG 4.08Å; F202-K208 HydrophobicContact CD2-CB 4.14Å; F202-K208 HydrophobicContact CD2-CD 4.34Å; F202-K208 HydrophobicContact CD2-CG 3.79Å; F202-K208 HydrophobicContact CE2-CB 4.29Å; F202-K208 HydrophobicContact CE2-CG 4.39Å; F202-K208 HydrophobicContact CG-CB 4.33Å; F202-K208 HydrophobicContact CG-CG 3.99Å; K208-E241 IonicContact NZ-OE2 3.07Å
209V94.5Very high94.3Very high13 Ų1344 Ų448%0.07923%0.229CC..  trans-115.8150158.5-65.80000107.9I173 L180 F202 L211I173-V209 HydrophobicContact CD1-CG1 4.5Å; I173-V209 HydrophobicContact CD1-CG2 3.8Å; I173-V209 HydrophobicContact CG1-CG1 4.37Å; I173-V209 HydrophobicContact CG1-CG2 3.98Å; L180-V209 HydrophobicContact CD1-CG2 3.85Å; L180-V209 HydrophobicContact CG-CG2 3.77Å; F202-V209 HydrophobicContact CE1-CG2 3.74Å; F202-V209 HydrophobicContact CZ-CG2 3.83Å; F202-V209 VanDerWaalsContact CZ-O 3.32Å; F202-V209 WeakPolarHBondContact CZ-O 3.3Å; V209-L211 PolarHBondContact O-N 3.18Å
210P97.6Very high93.4Very high11 Ų1149 Ų497%0.07125%0.25CC..  trans-50.9140.1174-29.335.3000112.6E8 D178 V179 L180 M243E8-P210 HydrophobicContact CB-CG 4.21Å; E8-P210 HydrophobicContact CG-CG 3.75Å; D178-P210 WeakPolarHBondContact O-CD 3.22Å; V179-P210 WeakPolarHBondContact CA-O 3.39Å; V179-P210 HydrophobicContact CG1-CB 4.35Å; V179-P210 WeakPolarHBondContact CG1-O 3.44Å; V179-P210 HydrophobicContact CG2-CB 4.17Å; L180-P210 PolarHBondContact N-O 3.22Å; P210-M243 HydrophobicContact CB-CB 4.44Å; P210-M243 HydrophobicContact CB-CE 3.79Å; P210-M243 HydrophobicContact CB-SD 4.04Å; P210-M243 HydrophobicContact CG-CE 3.72Å; P210-M243 HydrophobicContact CG-SD 4.42Å
211L98.4Very high92.5Very high10 Ų1050.5 Ų50.55%0.05227%0.265CS..EExtended strand (participates in β ladder)trans-114.1126.8178.1179.163.4000109.7L180 V182 I198 V209 M213 A240 A242 M243L180-L211 HydrophobicContact CB-CD1 4.07Å; L180-L211 CarbonylContact O-C 3.51Å; L180-L211 WeakPolarHBondContact O-CA 3.46Å; V182-L211 HydrophobicContact CG2-CD1 3.94Å; I198-L211 HydrophobicContact CD1-CD1 4.06Å; V209-L211 PolarHBondContact O-N 3.18Å; L211-M213 HydrophobicContact CD1-SD 4.14Å; L211-M213 HydrophobicContact CD2-CG 4.35Å; L211-M213 HydrophobicContact CD2-SD 3.96Å; L211-M213 HydrophobicContact CG-CG 4.17Å; L211-M213 HydrophobicContact CG-SD 4.04Å; L211-A240 HydrophobicContact CD2-CB 4Å; L211-A242 CarbonylContact O-C 3.52Å; L211-A242 WeakPolarHBondContact O-CA 3.48Å; L211-A242 WeakPolarHBondContact O-CB 3.46Å; L211-M243 PolarHBondContact O-N 3.33Å
212F98.7Very high91.8Very high0 Ų050.1 Ų50.10%027%0.265CS..EExtended strand (participates in β ladder)trans-107.3141.7168.9-69.75.9000109.1L11 L15 I81 V179 L180 L181 V182 M243 C244 I272 I308L11-F212 HydrophobicContact CD2-CE1 4.4Å; L11-F212 HydrophobicContact CD2-CZ 4.07Å; L15-F212 HydrophobicContact CD1-CZ 4.5Å; I81-F212 HydrophobicContact CD1-CE2 4.18Å; V179-F212 HydrophobicContact CG1-CB 4.16Å; V179-F212 HydrophobicContact CG1-CD1 3.56Å; V179-F212 HydrophobicContact CG1-CD2 3.84Å; V179-F212 HydrophobicContact CG1-CE1 3.82Å; V179-F212 HydrophobicContact CG1-CE2 4.09Å; V179-F212 HydrophobicContact CG1-CG 3.57Å; V179-F212 HydrophobicContact CG1-CZ 4.09Å; V179-F212 HydrophobicContact CG2-CZ 4.35Å; L180-F212 PolarHBondContact O-N 3.02Å; L181-F212 HydrophobicContact CB-CB 4.38Å; L181-F212 HydrophobicContact CD1-CB 3.58Å; V182-F212 PolarHBondContact N-O 3.23Å; F212-M243 HydrophobicContact CD1-CB 4.27Å; F212-M243 HydrophobicContact CE1-CB 4.03Å; F212-M243 HydrophobicContact CE1-CG 4.08Å; F212-M243 HydrophobicContact CE1-SD 4.03Å; F212-C244 WeakPolarHBondContact CA-O 3.35Å; F212-C244 HydrophobicContact CB-CB 4.37Å; F212-C244 HydrophobicContact CD1-CB 3.4Å; F212-C244 HydrophobicContact CD2-CB 4.15Å; F212-C244 HydrophobicContact CE1-CB 3.59Å; F212-C244 HydrophobicContact CE2-CB 4.3Å; F212-C244 HydrophobicContact CG-CB 3.71Å; F212-C244 HydrophobicContact CZ-CB 4.04Å; F212-I272 HydrophobicContact CD2-CD1 4.3Å; F212-I308 HydrophobicContact CD2-CD1 4.37Å; F212-I308 HydrophobicContact CE2-CD1 3.52Å; F212-I308 HydrophobicContact CZ-CD1 3.86Å
213M98.6Very high91.5Very high0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-130.7122-178.5-61.1-76.4-61.300110.1V182 I185 A191 I195 L211 I237 A242 C244 V245 G246V182-M213 HydrophobicContact CB-CE 4.4Å; V182-M213 HydrophobicContact CB-SD 3.7Å; V182-M213 HydrophobicContact CG1-CE 4.41Å; V182-M213 HydrophobicContact CG1-SD 4.32Å; V182-M213 HydrophobicContact CG2-SD 4.03Å; V182-M213 CarbonylContact O-C 3.55Å; V182-M213 VanDerWaalsContact O-CA 3.29Å; V182-M213 WeakPolarHBondContact O-CA 3.41Å; I185-M213 HydrophobicContact CD1-CE 3.66Å; A191-M213 HydrophobicContact CB-CE 4.03Å; I195-M213 HydrophobicContact CD1-CE 3.79Å; I195-M213 HydrophobicContact CG1-CE 3.9Å; I195-M213 HydrophobicContact CG1-SD 4.25Å; L211-M213 HydrophobicContact CD1-SD 4.14Å; L211-M213 HydrophobicContact CD2-CG 4.35Å; L211-M213 HydrophobicContact CD2-SD 3.96Å; L211-M213 HydrophobicContact CG-CG 4.17Å; L211-M213 HydrophobicContact CG-SD 4.04Å; M213-I237 HydrophobicContact CB-CD1 3.86Å; M213-I237 HydrophobicContact CE-CB 4.36Å; M213-I237 HydrophobicContact CE-CD1 4.17Å; M213-I237 HydrophobicContact CE-CG2 4.25Å; M213-I237 HydrophobicContact CG-CD1 4.31Å; M213-A242 HydrophobicContact CB-CB 4.39Å; M213-A242 HydrophobicContact CG-CB 3.71Å; M213-C244 PolarHBondContact N-O 2.93Å; M213-V245 HydrophobicContact CB-CG1 4.35Å; M213-V245 CarbonylContact O-C 3.59Å; M213-V245 WeakPolarHBondContact O-CA 3.49Å; M213-G246 PolarHBondContact O-N 2.86Å
214S98.4Very high91.3Very high0 Ų047.1 Ų47.10%025%0.248CC..EExtended strand (participates in β ladder)trans-126.3122.6180-169.80000112.6V182 E183 T184 I185 G246 L247 N248 Y274V182-S214 PolarHBondContact O-N 3.44Å; E183-S214 CarbonylContact C-O 3.57Å; E183-S214 WeakPolarHBondContact CA-O 3.47Å; T184-S214 PolarHBondContact N-O 3.39Å; T184-S214 VanDerWaalsContact N-O 3.16Å; I185-S214 WeakPolarHBondContact CB-O 3.32Å; I185-S214 WeakPolarHBondContact CD1-O 3.45Å; I185-S214 WeakPolarHBondContact CG1-O 3.22Å; I185-S214 PolarHBondContact N-O 3.23Å; S214-G246 WeakPolarHBondContact CA-O 3.49Å; S214-L247 VanDerWaalsContact OG-C 3.29Å; S214-N248 VanDerWaalsContact CB-OD1 3.31Å; S214-N248 WeakPolarHBondContact CB-OD1 3.11Å; S214-N248 WeakPolarHBondContact OG-CB 3.3Å; S214-N248 PolarHBondContact OG-N 3.23Å; S214-N248 PolarHBondContact OG-OD1 3.12Å; S214-Y274 VanDerWaalsContact CB-OH 3.27Å; S214-Y274 WeakPolarHBondContact CB-OH 3.38Å; S214-Y274 WeakPolarHBondContact OG-CE1 3.25Å
215G97.6Very high91Very high0 Ų046 Ų460%025%0.245CC..EExtended strand (participates in β ladder)trans-88.1158.6176.700000113.3I185 G246 L247 N248I185-G215 WeakPolarHBondContact O-CA 3.42Å; G215-G246 PolarHBondContact N-O 3.39Å; G215-L247 VanDerWaalsContact O-CA 3.22Å; G215-L247 WeakPolarHBondContact O-CA 3.36Å; G215-L247 WeakPolarHBondContact O-CD2 3.48Å; G215-N248 PolarHBondContact O-N 2.98Å
216T96.1Very high90.7Very high7 Ų742.3 Ų42.34%0.04323%0.226CC..  trans-121.4119.9173-62.70000110.8T184 I185 N248 C249 A250T184-T216 VanDerWaalsContact CA-OG1 3.27Å; T184-T216 WeakPolarHBondContact CA-OG1 3.41Å; I185-T216 PolarHBondContact O-N 3.14Å; T216-N248 PolarHBondContact OG1-O 3.38Å; T216-C249 HydrophobicContact CG2-CB 4.34Å; T216-A250 HydrophobicContact CG2-CB 3.39Å
217I90.5Very high90.6Very high3 Ų339.1 Ų39.12%0.01519%0.193CC..BIsolated β-bridgetrans-92.6123.1172-59-52.9000107.6D219 T224 V230 L247 A250 L251 F259I217-D219 VanDerWaalsContact CG2-O 3.24Å; I217-D219 WeakPolarHBondContact CG2-O 3.34Å; I217-T224 HydrophobicContact CD1-CG2 4.26Å; I217-V230 HydrophobicContact CD1-CG2 3.72Å; I217-V230 HydrophobicContact CG1-CG2 4.01Å; I217-L247 HydrophobicContact CG1-CD1 4.2Å; I217-L247 HydrophobicContact CG1-CD2 4.03Å; I217-A250 VanDerWaalsContact O-CB 3.29Å; I217-A250 WeakPolarHBondContact O-CB 3.43Å; I217-L251 HydrophobicContact CB-CD1 4.16Å; I217-L251 HydrophobicContact CG2-CD1 3.96Å; I217-L251 WeakPolarHBondContact O-CG 3.25Å; I217-F259 HydrophobicContact CG2-CD2 4.1Å; I217-F259 HydrophobicContact CG2-CE2 4.09Å
218V79.6Confident90.8Very high58 Ų5833.5 Ų33.535%0.35217%0.172SC..  trans-86.1-21.8-169.1-670000113.8R223 L225V218-R223 PolarHBondContact N-O 2.97Å; V218-L225 HydrophobicContact CG1-CB 3.94Å; V218-L225 HydrophobicContact CG1-CD1 4.35Å; V218-L225 HydrophobicContact CG2-CD1 4.48Å
219D77.1Confident90.9Very high77 Ų7728.4 Ų28.441%0.41215%0.152SC..SBendtrans-155.2-177.5-177.56631.5000112.5I217 S221 G222I217-D219 VanDerWaalsContact CG2-O 3.24Å; I217-D219 WeakPolarHBondContact CG2-O 3.34Å; D219-S221 PolarHBondContact O-N 3.12Å; D219-S221 VanDerWaalsContact O-N 3.13Å; D219-S221 WeakPolarHBondContact OD1-CA 3.22Å; D219-S221 WeakPolarHBondContact OD1-CB 3.37Å; D219-S221 PolarHBondContact OD1-N 3.42Å; D219-S221 PolarHBondContact OD1-OG 3.1Å; D219-G222 PolarHBondContact O-N 3.49Å
220K78.4Confident91Very high148 Ų14828.1 Ų28.164%0.64315%0.151SC*.THydrogen-bonded Turntrans-68.8-4.8-178.6-66.2-178.2178.61750114.9G222 E255K220-G222 PolarHBondContact O-N 2.68Å; K220-E255 WeakPolarHBondContact CE-OE1 3.29Å; K220-E255 VanDerWaalsContact CE-OE2 3.28Å; K220-E255 WeakPolarHBondContact CE-OE2 3.46Å; K220-E255 IonicContact NZ-OE1 3.99Å; K220-E255 PolarHBondContact NZ-OE1 3.48Å
221S78.7Confident91Very high72 Ų7228.8 Ų28.850%0.50315%0.153SC..THydrogen-bonded Turntrans-70.9-15.2174.474.20000112.8D219 R223D219-S221 PolarHBondContact O-N 3.12Å; D219-S221 VanDerWaalsContact O-N 3.13Å; D219-S221 WeakPolarHBondContact OD1-CA 3.22Å; D219-S221 WeakPolarHBondContact OD1-CB 3.37Å; D219-S221 PolarHBondContact OD1-N 3.42Å; D219-S221 PolarHBondContact OD1-OG 3.1Å; S221-R223 VanDerWaalsContact C-N 3.34Å; S221-R223 PolarHBondContact OG-N 3.44Å
222G82.6Confident90.9Very high6 Ų628.3 Ų28.36%0.06215%0.15CC..  trans75.223.8-178.200000113.9D219 K220 V230 F259D219-G222 PolarHBondContact O-N 3.49Å; K220-G222 PolarHBondContact O-N 2.68Å; G222-V230 PolarHBondContact O-N 3.07Å; G222-F259 VanDerWaalsContact CA-CZ 3.43Å
223R91Very high90.9Very high71 Ų7128.4 Ų28.427%0.26815%0.151SC..BIsolated β-bridgetrans-116.6150.5-179.1-63.7177.1177.4-93.53.6112.1V218 S221 G227 Q228 L349 E350V218-R223 PolarHBondContact N-O 2.97Å; S221-R223 VanDerWaalsContact C-N 3.34Å; S221-R223 PolarHBondContact OG-N 3.44Å; R223-G227 WeakPolarHBondContact CD-O 3.36Å; R223-G227 PolarHBondContact NH1-O 2.95Å; R223-Q228 CarbonylContact C-O 3.58Å; R223-Q228 WeakPolarHBondContact CA-O 3.33Å; R223-L349 PolarHBondContact NH1-O 3.32Å; R223-E350 IonicContact CZ-OE1 3.03Å; R223-E350 IonicContact NH2-OE1 2.86Å; R223-E350 PolarHBondContact NH2-OE1 3.47Å
224T91.8Very high90.9Very high4 Ų428.8 Ų28.83%0.02515%0.153CC..BIsolated β-bridgetrans-64.8166.7166.763.50000110.3F186 I217 S226 G227 Q228F186-T224 WeakPolarHBondContact O-CB 3.37Å; I217-T224 HydrophobicContact CD1-CG2 4.26Å; T224-S226 PolarHBondContact O-N 3.08Å; T224-S226 PolarHBondContact OG1-OG 3.3Å; T224-G227 WeakPolarHBondContact O-CA 3.15Å; T224-G227 PolarHBondContact O-N 3.41Å; T224-G227 PolarHBondContact OG1-N 3.18Å; T224-Q228 PolarHBondContact N-O 2.86Å; T224-Q228 PolarHBondContact OG1-N 2.98Å; T224-Q228 VanDerWaalsContact OG1-N 3.14Å; T224-Q228 PolarHBondContact OG1-O 3.34Å
225L90.1Very high90.8Very high86 Ų8628.9 Ų28.945%0.4515%0.153SC..THydrogen-bonded Turntrans-58.1-34.3174.4-172.762.9000112.1L144 F186 V218 G227L144-L225 HydrophobicContact CD1-CD2 4.36Å; L144-L225 HydrophobicContact CD1-CG 4.18Å; F186-L225 HydrophobicContact CB-CB 3.81Å; F186-L225 HydrophobicContact CD2-CB 3.97Å; F186-L225 HydrophobicContact CD2-CD2 3.75Å; F186-L225 HydrophobicContact CD2-CG 4.41Å; F186-L225 HydrophobicContact CE2-CD2 4.16Å; F186-L225 HydrophobicContact CG-CB 4.25Å; F186-L225 HydrophobicContact CG-CD2 4.28Å; F186-L225 PolarHBondContact O-N 2.9Å; V218-L225 HydrophobicContact CG1-CB 3.94Å; V218-L225 HydrophobicContact CG1-CD1 4.35Å; V218-L225 HydrophobicContact CG2-CD1 4.48Å; L225-G227 PolarHBondContact O-N 3.43Å
226S89.1Confident90.9Very high3 Ų328.9 Ų28.92%0.02115%0.154CC..THydrogen-bonded Turntrans-71.1-2.4173.765.20000114.3F186 T224 Q453F186-S226 PolarHBondContact O-N 3.03Å; F186-S226 PolarHBondContact O-OG 3.36Å; T224-S226 PolarHBondContact O-N 3.08Å; T224-S226 PolarHBondContact OG1-OG 3.3Å; S226-Q453 PolarHBondContact O-NE2 3.47Å; S226-Q453 VanDerWaalsContact O-NE2 3.13Å; S226-Q453 PolarHBondContact OG-OE1 2.89Å
227G91Very high90.9Very high5 Ų528.8 Ų28.85%0.05215%0.153CC..SBendtrans90.66.4173.500000115.5R223 T224 L225R223-G227 WeakPolarHBondContact CD-O 3.36Å; R223-G227 PolarHBondContact NH1-O 2.95Å; T224-G227 WeakPolarHBondContact O-CA 3.15Å; T224-G227 PolarHBondContact O-N 3.41Å; T224-G227 PolarHBondContact OG1-N 3.18Å; L225-G227 PolarHBondContact O-N 3.43Å
228Q94.4Very high91.2Very high0 Ų031.5 Ų31.50%017%0.165CC..  trans-86.5134.2-176.5-168.8174.449.200110.9T188 R223 T224 A232 F233 S236 G348 L349T188-Q228 VanDerWaalsContact CG2-OE1 3.31Å; T188-Q228 PolarHBondContact OG1-OE1 3.26Å; R223-Q228 CarbonylContact C-O 3.58Å; R223-Q228 WeakPolarHBondContact CA-O 3.33Å; T224-Q228 PolarHBondContact N-O 2.86Å; T224-Q228 PolarHBondContact OG1-N 2.98Å; T224-Q228 VanDerWaalsContact OG1-N 3.14Å; T224-Q228 PolarHBondContact OG1-O 3.34Å; Q228-A232 HydrophobicContact CG-CB 3.45Å; Q228-A232 VanDerWaalsContact CG-CB 3.45Å; Q228-A232 PolarHBondContact NE2-O 3.13Å; Q228-F233 HydrophobicContact CG-CB 4.49Å; Q228-F233 VanDerWaalsContact OE1-CA 3.26Å; Q228-S236 PolarHBondContact NE2-OG 3.28Å; Q228-G348 PolarHBondContact NE2-O 3.46Å; Q228-L349 HydrophobicContact CB-CD2 4.32Å
229S95.7Very high92Very high22 Ų2230.1 Ų30.115%0.15416%0.155CC..BIsolated β-bridgetrans-66156.4174.161.70000112.2E231 A232 F233 L349 P351S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 PolarHBondContact O-N 3.29Å; S229-A232 PolarHBondContact O-N 2.87Å; S229-A232 VanDerWaalsContact O-N 3.17Å; S229-A232 VanDerWaalsContact OG-CB 3.28Å; S229-A232 WeakPolarHBondContact OG-CB 3.42Å; S229-F233 PolarHBondContact O-N 3.4Å; S229-L349 PolarHBondContact N-O 3.34Å; S229-L349 PolarHBondContact OG-O 2.97Å; S229-P351 WeakPolarHBondContact OG-CD 3.45Å
230V95.9Very high92.9Very high7 Ų726.9 Ų26.94%0.04214%0.139CC..Hα-helixtrans-50.4-47.6179.3173.80000112.6I217 G222 F233 L234 F259 V263I217-V230 HydrophobicContact CD1-CG2 3.72Å; I217-V230 HydrophobicContact CG1-CG2 4.01Å; G222-V230 PolarHBondContact O-N 3.07Å; V230-F233 WeakPolarHBondContact O-CB 3.34Å; V230-F233 PolarHBondContact O-N 3.11Å; V230-L234 HydrophobicContact CG1-CD1 4.21Å; V230-L234 WeakPolarHBondContact O-CG 3.09Å; V230-L234 PolarHBondContact O-N 2.84Å; V230-L234 VanDerWaalsContact O-N 3.07Å; V230-F259 HydrophobicContact CG2-CB 4.09Å; V230-F259 HydrophobicContact CG2-CD1 4.29Å; V230-F259 HydrophobicContact CG2-CG 4.47Å; V230-V263 HydrophobicContact CG1-CG2 3.5Å; V230-V263 VanDerWaalsContact CG1-CG2 3.5Å
231E96.2Very high93.7Very high25 Ų2525.6 Ų25.612%0.11714%0.135CC..Hα-helixtrans-68-43.1-178.5-173-174.6153.700112.1S229 F233 L234 I235 N266 P351 R353S229-E231 VanDerWaalsContact C-N 3.31Å; S229-E231 PolarHBondContact O-N 3.29Å; E231-F233 VanDerWaalsContact C-N 3.27Å; E231-F233 PolarHBondContact O-N 3.26Å; E231-L234 PolarHBondContact O-N 3.33Å; E231-L234 VanDerWaalsContact O-N 3.16Å; E231-I235 HydrophobicContact CG-CD1 4.06Å; E231-I235 WeakPolarHBondContact O-CG1 3.47Å; E231-I235 PolarHBondContact O-N 2.77Å; E231-N266 HydrophobicContact CG-CB 4.28Å; E231-P351 HydrophobicContact CB-CB 4.17Å; E231-P351 HydrophobicContact CB-CG 4.11Å; E231-P351 HydrophobicContact CG-CB 3.84Å; E231-P351 HydrophobicContact CG-CG 4.16Å; E231-P351 WeakPolarHBondContact OE1-CB 3.21Å; E231-R353 IonicContact OE1-CZ 3.11Å; E231-R353 IonicContact OE1-NE 2.65Å; E231-R353 PolarHBondContact OE1-NE 2.75Å; E231-R353 IonicContact OE1-NH2 2.62Å; E231-R353 PolarHBondContact OE1-NH2 2.9Å; E231-R353 IonicContact OE2-CZ 2.75Å; E231-R353 IonicContact OE2-NH2 3.4Å; E231-R353 PolarHBondContact OE2-NH2 3.38Å
232A97.9Very high94.6Very high0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-60.8-38.5176.800000111.8Q228 S229 I235 S236 S347 L349Q228-A232 HydrophobicContact CG-CB 3.45Å; Q228-A232 VanDerWaalsContact CG-CB 3.45Å; Q228-A232 PolarHBondContact NE2-O 3.13Å; S229-A232 PolarHBondContact O-N 2.87Å; S229-A232 VanDerWaalsContact O-N 3.17Å; S229-A232 VanDerWaalsContact OG-CB 3.28Å; S229-A232 WeakPolarHBondContact OG-CB 3.42Å; A232-I235 PolarHBondContact O-N 3.28Å; A232-S236 WeakPolarHBondContact O-CB 3.43Å; A232-S236 PolarHBondContact O-N 3.05Å; A232-S236 PolarHBondContact O-OG 2.98Å; A232-S347 PolarHBondContact O-OG 3.06Å; A232-L349 WeakPolarHBondContact CB-O 3.26Å
233F98Very high95.3Very high2 Ų224 Ų241%0.00912%0.121CC..Hα-helixtrans-59-50.4171.8161.4-109.5000111.6I185 T188 Q228 S229 V230 E231 I235 S236 I237I185-F233 HydrophobicContact CB-CE2 4.34Å; I185-F233 HydrophobicContact CD1-CE2 4.26Å; I185-F233 HydrophobicContact CD1-CZ 4.19Å; I185-F233 HydrophobicContact CG2-CE2 3.92Å; T188-F233 HydrophobicContact CG2-CD2 3.96Å; Q228-F233 HydrophobicContact CG-CB 4.49Å; Q228-F233 VanDerWaalsContact OE1-CA 3.26Å; S229-F233 PolarHBondContact O-N 3.4Å; V230-F233 WeakPolarHBondContact O-CB 3.34Å; V230-F233 PolarHBondContact O-N 3.11Å; E231-F233 VanDerWaalsContact C-N 3.27Å; E231-F233 PolarHBondContact O-N 3.26Å; F233-I235 VanDerWaalsContact C-N 3.32Å; F233-I235 PolarHBondContact O-N 3.01Å; F233-S236 WeakPolarHBondContact O-CB 3.41Å; F233-S236 PolarHBondContact O-N 3.02Å; F233-S236 VanDerWaalsContact O-N 3.15Å; F233-I237 HydrophobicContact CD2-CG2 4.19Å; F233-I237 HydrophobicContact CE1-CD1 4.04Å; F233-I237 HydrophobicContact CE2-CD1 3.97Å; F233-I237 HydrophobicContact CE2-CG1 4.45Å; F233-I237 HydrophobicContact CE2-CG2 3.88Å; F233-I237 HydrophobicContact CZ-CD1 3.61Å; F233-I237 HydrophobicContact CZ-CG1 4.47Å; F233-I237 WeakPolarHBondContact O-CG1 3.35Å; F233-I237 PolarHBondContact O-N 3.19Å; F233-I237 VanDerWaalsContact O-N 3.09Å
234L97.8Very high95.6Very high9 Ų920.6 Ų20.65%0.04711%0.108CC..Hα-helixtrans-61.4-39.3178.6-67.1171.1000112.7V230 E231 Q238 V245 V263 N266V230-L234 HydrophobicContact CG1-CD1 4.21Å; V230-L234 WeakPolarHBondContact O-CG 3.09Å; V230-L234 PolarHBondContact O-N 2.84Å; V230-L234 VanDerWaalsContact O-N 3.07Å; E231-L234 PolarHBondContact O-N 3.33Å; E231-L234 VanDerWaalsContact O-N 3.16Å; L234-Q238 PolarHBondContact O-N 3.01Å; L234-V245 HydrophobicContact CD2-CB 4.21Å; L234-V245 HydrophobicContact CD2-CG2 3.83Å; L234-V263 HydrophobicContact CD1-CB 4.35Å; L234-V263 HydrophobicContact CD1-CG1 4.31Å; L234-V263 HydrophobicContact CD1-CG2 4.25Å; L234-V263 HydrophobicContact CD2-CG1 4.37Å; L234-N266 HydrophobicContact CD1-CB 3.91Å
235I97.8Very high95.9Very high1 Ų120.8 Ų20.81%0.00511%0.109CC..Hα-helixtrans-63.1-45.2174.5-69.5167.6000110.5E231 A232 F233 I237 Q238 Y340 V345 P351 K455E231-I235 HydrophobicContact CG-CD1 4.06Å; E231-I235 WeakPolarHBondContact O-CG1 3.47Å; E231-I235 PolarHBondContact O-N 2.77Å; A232-I235 PolarHBondContact O-N 3.28Å; F233-I235 VanDerWaalsContact C-N 3.32Å; F233-I235 PolarHBondContact O-N 3.01Å; I235-I237 VanDerWaalsContact C-N 3.34Å; I235-I237 PolarHBondContact O-N 2.98Å; I235-Q238 PolarHBondContact O-N 3.3Å; I235-Y340 HydrophobicContact CG1-CE2 4.41Å; I235-V345 HydrophobicContact CD1-CB 4.14Å; I235-V345 HydrophobicContact CG1-CB 4.22Å; I235-V345 HydrophobicContact CG1-CG2 4.45Å; I235-V345 HydrophobicContact CG2-CB 4.08Å; I235-V345 HydrophobicContact CG2-CG2 4.13Å; I235-P351 HydrophobicContact CD1-CB 3.61Å; I235-K455 HydrophobicContact CG2-CB 4.04Å; I235-K455 HydrophobicContact CG2-CD 3.92Å
236S98.3Very high96.3Very high1 Ų116.7 Ų16.71%0.0079%0.088CC..Hα-helixtrans-60.8-38.4-180-77.90000113.3Q228 A232 F233 H239 S347 Q453 G454 K455Q228-S236 PolarHBondContact NE2-OG 3.28Å; A232-S236 WeakPolarHBondContact O-CB 3.43Å; A232-S236 PolarHBondContact O-N 3.05Å; A232-S236 PolarHBondContact O-OG 2.98Å; F233-S236 WeakPolarHBondContact O-CB 3.41Å; F233-S236 PolarHBondContact O-N 3.02Å; F233-S236 VanDerWaalsContact O-N 3.15Å; S236-H239 PolarHBondContact O-CE1 2.96Å; S236-H239 PolarHBondContact O-ND1 3.48Å; S236-S347 PolarHBondContact OG-OG 2.9Å; S236-Q453 WeakPolarHBondContact CB-O 3.44Å; S236-Q453 PolarHBondContact OG-O 3.35Å; S236-G454 VanDerWaalsContact OG-CA 3.31Å; S236-G454 WeakPolarHBondContact OG-CA 3.48Å; S236-K455 PolarHBondContact OG-N 3.22Å
237I97.9Very high96.7Very high5 Ų516.7 Ų16.73%0.0269%0.088CC..Hα-helixtrans-94.70.8-176.368.7163000114.2T188 A191 I195 M213 F233 I235 H239 A240 V245T188-I237 HydrophobicContact CG2-CG2 3.98Å; A191-I237 HydrophobicContact CB-CG2 4.33Å; I195-I237 HydrophobicContact CD1-CB 3.97Å; I195-I237 HydrophobicContact CD1-CG2 4.09Å; M213-I237 HydrophobicContact CB-CD1 3.86Å; M213-I237 HydrophobicContact CE-CB 4.36Å; M213-I237 HydrophobicContact CE-CD1 4.17Å; M213-I237 HydrophobicContact CE-CG2 4.25Å; M213-I237 HydrophobicContact CG-CD1 4.31Å; F233-I237 HydrophobicContact CD2-CG2 4.19Å; F233-I237 HydrophobicContact CE1-CD1 4.04Å; F233-I237 HydrophobicContact CE2-CD1 3.97Å; F233-I237 HydrophobicContact CE2-CG1 4.45Å; F233-I237 HydrophobicContact CE2-CG2 3.88Å; F233-I237 HydrophobicContact CZ-CD1 3.61Å; F233-I237 HydrophobicContact CZ-CG1 4.47Å; F233-I237 WeakPolarHBondContact O-CG1 3.35Å; F233-I237 PolarHBondContact O-N 3.19Å; F233-I237 VanDerWaalsContact O-N 3.09Å; I235-I237 VanDerWaalsContact C-N 3.34Å; I235-I237 PolarHBondContact O-N 2.98Å; I237-H239 PolarHBondContact O-N 3.42Å; I237-A240 WeakPolarHBondContact O-CB 3.42Å; I237-A240 PolarHBondContact O-N 2.85Å; I237-V245 HydrophobicContact CD1-CG1 4.38Å
238Q95.7Very high97Very high59 Ų5916.4 Ų16.428%0.2769%0.085SC..G310 helixtrans-58-30.3-171.8-163.8-172.327.800113.8L234 I235 A240 E241 K519L234-Q238 PolarHBondContact O-N 3.01Å; I235-Q238 PolarHBondContact O-N 3.3Å; Q238-A240 PolarHBondContact O-N 3.14Å; Q238-E241 PolarHBondContact O-N 3.29Å; Q238-K519 VanDerWaalsContact CD-NZ 3.32Å; Q238-K519 VanDerWaalsContact NE2-NZ 3.18Å
239H96Very high96.7Very high29 Ų2917.5 Ų17.513%0.1349%0.092CC..G310 helixtrans-68.9-10.6177.968.4-73.9000113.7I195 Q199 S236 I237 E241 R479 G481I195-H239 WeakPolarHBondContact CG2-NE2 3.47Å; Q199-H239 PolarHBondContact NE2-O 2.76Å; S236-H239 PolarHBondContact O-CE1 2.96Å; S236-H239 PolarHBondContact O-ND1 3.48Å; I237-H239 PolarHBondContact O-N 3.42Å; H239-E241 PolarHBondContact O-N 2.86Å; H239-R479 PolarHBondContact CD2-O 3.32Å; H239-R479 PolarHBondContact NE2-O 3.4Å; H239-G481 WeakPolarHBondContact ND1-CA 3.43Å
240A97Very high95.9Very high9 Ų917.9 Ų17.97%0.07410%0.097CC..G310 helixtrans-63.1-23.8171.500000112.8I195 L211 I237 Q238 A242I195-A240 HydrophobicContact CD1-CB 3.7Å; I195-A240 HydrophobicContact CG1-CB 3.72Å; I195-A240 HydrophobicContact CG2-CB 4.04Å; L211-A240 HydrophobicContact CD2-CB 4Å; I237-A240 WeakPolarHBondContact O-CB 3.42Å; I237-A240 PolarHBondContact O-N 2.85Å; Q238-A240 PolarHBondContact O-N 3.14Å; A240-A242 HydrophobicContact CB-CB 4.4Å; A240-A242 PolarHBondContact O-N 3.09Å
241E94.3Very high95.2Very high122 Ų12217.7 Ų17.757%0.5710%0.096SC*.  trans53.236.7-172.3-60.4175177.300111.7K208 Q238 H239K208-E241 IonicContact NZ-OE2 3.07Å; Q238-E241 PolarHBondContact O-N 3.29Å; H239-E241 PolarHBondContact O-N 2.86Å
242A97.2Very high94.7Very high15 Ų1516.7 Ų16.712%0.1249%0.092CC..  trans-61.4136.4-17700000111.5L211 M213 A240 C244 V245 A269L211-A242 CarbonylContact O-C 3.52Å; L211-A242 WeakPolarHBondContact O-CA 3.48Å; L211-A242 WeakPolarHBondContact O-CB 3.46Å; M213-A242 HydrophobicContact CB-CB 4.39Å; M213-A242 HydrophobicContact CG-CB 3.71Å; A240-A242 HydrophobicContact CB-CB 4.4Å; A240-A242 PolarHBondContact O-N 3.09Å; A242-C244 VanDerWaalsContact C-N 3.29Å; A242-V245 HydrophobicContact CB-CG1 3.84Å; A242-A269 WeakPolarHBondContact O-CB 3.42Å
243M97.5Very high94.3Very high29 Ų2916.7 Ų16.714%0.1439%0.092CC..SBendtrans-67.6-35.9175.3178.6-179.9-70.800110.6E8 L11 L15 P210 L211 F212 F270E8-M243 HydrophobicContact CG-CE 4.23Å; L11-M243 HydrophobicContact CD2-SD 3.94Å; L11-M243 HydrophobicContact CG-SD 4.27Å; L15-M243 HydrophobicContact CD1-SD 4.19Å; P210-M243 HydrophobicContact CB-CB 4.44Å; P210-M243 HydrophobicContact CB-CE 3.79Å; P210-M243 HydrophobicContact CB-SD 4.04Å; P210-M243 HydrophobicContact CG-CE 3.72Å; P210-M243 HydrophobicContact CG-SD 4.42Å; L211-M243 PolarHBondContact O-N 3.33Å; F212-M243 HydrophobicContact CD1-CB 4.27Å; F212-M243 HydrophobicContact CE1-CB 4.03Å; F212-M243 HydrophobicContact CE1-CG 4.08Å; F212-M243 HydrophobicContact CE1-SD 4.03Å; M243-F270 HydrophobicContact CG-CD2 4.03Å; M243-F270 HydrophobicContact CG-CE2 4.44Å; M243-F270 WeakPolarHBondContact O-CD2 3.32Å; M243-F270 PolarHBondContact O-N 3.4Å
244C98.1Very high93.8Very high0 Ų020.3 Ų20.30%011%0.105CC..EExtended strand (participates in β ladder)trans-135.2137.7178.6-160.20000111F212 M213 A242 F270 V271 I272F212-C244 WeakPolarHBondContact CA-O 3.35Å; F212-C244 HydrophobicContact CB-CB 4.37Å; F212-C244 HydrophobicContact CD1-CB 3.4Å; F212-C244 HydrophobicContact CD2-CB 4.15Å; F212-C244 HydrophobicContact CE1-CB 3.59Å; F212-C244 HydrophobicContact CE2-CB 4.3Å; F212-C244 HydrophobicContact CG-CB 3.71Å; F212-C244 HydrophobicContact CZ-CB 4.04Å; M213-C244 PolarHBondContact N-O 2.93Å; A242-C244 VanDerWaalsContact C-N 3.29Å; C244-F270 CarbonylContact C-O 3.58Å; C244-F270 VanDerWaalsContact CA-O 3.26Å; C244-F270 WeakPolarHBondContact CA-O 3.33Å; C244-F270 HydrophobicContact CB-CB 4.3Å; C244-F270 PolarHBondContact SG-O 3.05Å; C244-V271 VanDerWaalsContact SG-C 3.58Å; C244-I272 WeakPolarHBondContact SG-CB 3.48Å; C244-I272 VanDerWaalsContact SG-CG2 3.58Å; C244-I272 PolarHBondContact SG-N 3.48Å; C244-I272 VanDerWaalsContact SG-N 3.43Å
245V98.4Very high93.3Very high8 Ų822.2 Ų22.25%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-129.1147.5172.6-55.50000110.6M213 L234 I237 A242 V263 T267 A269 F270 V271 I272M213-V245 HydrophobicContact CB-CG1 4.35Å; M213-V245 CarbonylContact O-C 3.59Å; M213-V245 WeakPolarHBondContact O-CA 3.49Å; L234-V245 HydrophobicContact CD2-CB 4.21Å; L234-V245 HydrophobicContact CD2-CG2 3.83Å; I237-V245 HydrophobicContact CD1-CG1 4.38Å; A242-V245 HydrophobicContact CB-CG1 3.84Å; V245-V263 HydrophobicContact CG2-CG1 4.15Å; V245-T267 HydrophobicContact CG2-CG2 3.56Å; V245-T267 WeakPolarHBondContact CG2-OG1 3.38Å; V245-A269 HydrophobicContact CG1-CB 4.13Å; V245-A269 HydrophobicContact CG2-CB 4.09Å; V245-F270 PolarHBondContact N-O 3.14Å; V245-V271 VanDerWaalsContact O-CA 3.28Å; V245-V271 WeakPolarHBondContact O-CA 3.44Å; V245-I272 PolarHBondContact O-N 3.35Å
246G97.7Very high93Very high0 Ų022.3 Ų22.30%012%0.115CC..EExtended strand (participates in β ladder)trans-168.5-168.3-17000000115.8M213 S214 G215 I272M213-G246 PolarHBondContact O-N 2.86Å; S214-G246 WeakPolarHBondContact CA-O 3.49Å; G215-G246 PolarHBondContact N-O 3.39Å; G246-I272 WeakPolarHBondContact CA-O 3.38Å
247L97.8Very high92.8Very high2 Ų226.3 Ų26.31%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-131.1142.9175.4-61175.6000111.3S214 G215 I217 M256 F259 I260 V263 I272 C273 Y274S214-L247 VanDerWaalsContact OG-C 3.29Å; G215-L247 VanDerWaalsContact O-CA 3.22Å; G215-L247 WeakPolarHBondContact O-CA 3.36Å; G215-L247 WeakPolarHBondContact O-CD2 3.48Å; I217-L247 HydrophobicContact CG1-CD1 4.2Å; I217-L247 HydrophobicContact CG1-CD2 4.03Å; L247-M256 HydrophobicContact CB-CE 4.47Å; L247-M256 HydrophobicContact CB-CG 4.29Å; L247-M256 HydrophobicContact CB-SD 3.75Å; L247-M256 HydrophobicContact CD1-CG 4.31Å; L247-F259 HydrophobicContact CD1-CB 3.54Å; L247-I260 HydrophobicContact CB-CD1 4.36Å; L247-I260 HydrophobicContact CG-CD1 4.45Å; L247-V263 HydrophobicContact CD1-CG2 3.99Å; L247-V263 HydrophobicContact CD2-CG2 4.43Å; L247-V263 HydrophobicContact CG-CG2 3.95Å; L247-I272 PolarHBondContact N-O 3.36Å; L247-C273 WeakPolarHBondContact O-CA 2.99Å; L247-Y274 PolarHBondContact O-N 3.19Å
248N96.9Very high92.5Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-146165.4176.676.3-64.7000112.6T184 S214 G215 T216 Y274T184-N248 PolarHBondContact N-OD1 3.36Å; T184-N248 PolarHBondContact OG1-ND2 3.02Å; S214-N248 VanDerWaalsContact CB-OD1 3.31Å; S214-N248 WeakPolarHBondContact CB-OD1 3.11Å; S214-N248 WeakPolarHBondContact OG-CB 3.3Å; S214-N248 PolarHBondContact OG-N 3.23Å; S214-N248 PolarHBondContact OG-OD1 3.12Å; G215-N248 PolarHBondContact O-N 2.98Å; T216-N248 PolarHBondContact OG1-O 3.38Å; N248-Y274 WeakPolarHBondContact CA-O 3.29Å; N248-Y274 HydrophobicContact CB-CD1 3.62Å; N248-Y274 HydrophobicContact CB-CD2 3.5Å; N248-Y274 HydrophobicContact CB-CE1 3.42Å; N248-Y274 VanDerWaalsContact CB-CE1 3.42Å; N248-Y274 HydrophobicContact CB-CE2 3.29Å; N248-Y274 HydrophobicContact CB-CG 3.66Å; N248-Y274 WeakPolarHBondContact CB-O 3.31Å; N248-Y274 VanDerWaalsContact CG-CZ 3.43Å; N248-Y274 WeakPolarHBondContact ND2-CE2 3.49Å
249C88.5Confident92.4Very high22 Ų2228 Ų2815%0.14914%0.143CC..EExtended strand (participates in β ladder)trans61.4-167.1174-1590000113.8T184 T216 L251 M256 Y274 C312T184-C249 HydrophobicContact CG2-CB 4.45Å; T216-C249 HydrophobicContact CG2-CB 4.34Å; C249-L251 VanDerWaalsContact C-N 3.26Å; C249-L251 PolarHBondContact O-N 2.93Å; C249-M256 WeakPolarHBondContact O-CE 3.3Å; C249-Y274 PolarHBondContact N-O 2.91Å; C249-C312 HydrophobicContact CB-CB 4.46Å
250A79.5Confident92.4Very high30 Ų3026.6 Ų26.625%0.24814%0.137CC..EExtended strand (participates in β ladder)trans49.3-65.9179.100000116.6T216 I217 N276T216-A250 HydrophobicContact CG2-CB 3.39Å; I217-A250 VanDerWaalsContact O-CB 3.29Å; I217-A250 WeakPolarHBondContact O-CB 3.43Å; A250-N276 PolarHBondContact N-ND2 3.15Å
251L80.7Confident92.3Very high4 Ų429.5 Ų29.52%0.02115%0.149CC..EExtended strand (participates in β ladder)trans-86.4144.4176.9-60.4176.4000110.3I217 C249 E255 M256 F259 P275 N276I217-L251 HydrophobicContact CB-CD1 4.16Å; I217-L251 HydrophobicContact CG2-CD1 3.96Å; I217-L251 WeakPolarHBondContact O-CG 3.25Å; C249-L251 VanDerWaalsContact C-N 3.26Å; C249-L251 PolarHBondContact O-N 2.93Å; L251-E255 HydrophobicContact CB-CB 4.24Å; L251-E255 HydrophobicContact CD1-CB 4.47Å; L251-E255 HydrophobicContact CD2-CB 4.17Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.48Å; L251-M256 HydrophobicContact CB-CB 4.3Å; L251-M256 HydrophobicContact CB-CE 4.15Å; L251-F259 HydrophobicContact CD1-CD2 3.78Å; L251-F259 HydrophobicContact CD1-CE2 3.68Å; L251-P275 WeakPolarHBondContact O-CB 3.41Å; L251-N276 PolarHBondContact O-N 2.91Å
252G86.3Confident92.3Very high4 Ų424.8 Ų24.84%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-68.9164.5162.800000111.2R254 E255 M256G252-R254 PolarHBondContact O-N 3.42Å; G252-E255 PolarHBondContact O-N 3.41Å; G252-M256 PolarHBondContact O-N 2.98Å; G252-M256 VanDerWaalsContact O-N 3.15Å
253A88.9Confident92.3Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-51.1-46-177.400000111.9E255 M256 R257 P275 L296 L297 F300A253-E255 PolarHBondContact O-N 2.96Å; A253-M256 PolarHBondContact O-N 3.25Å; A253-M256 VanDerWaalsContact O-N 3.09Å; A253-R257 PolarHBondContact O-N 3.5Å; A253-P275 HydrophobicContact CB-CB 4.3Å; A253-P275 HydrophobicContact CB-CG 3.6Å; A253-L296 HydrophobicContact CB-CB 3.66Å; A253-L296 HydrophobicContact CB-CD1 3.96Å; A253-L296 HydrophobicContact CB-CG 4.44Å; A253-L297 HydrophobicContact CB-CD2 4.43Å; A253-F300 HydrophobicContact CB-CZ 4.45Å; A253-F300 WeakPolarHBondContact O-CZ 3.41Å
254R88Confident92.2Very high77 Ų7723.4 Ų23.429%0.29112%0.121SC..Hα-helixtrans-51.7-49.2-179.8-169.5179.8-63-115.40.7114.1G252 L296 E904 N908G252-R254 PolarHBondContact O-N 3.42Å; R254-L296 HydrophobicContact CB-CD1 4.1Å; R254-L296 HydrophobicContact CB-CD2 4.28Å; R254-E904 VanDerWaalsContact CD-OE1 3.27Å; R254-E904 WeakPolarHBondContact CD-OE1 3.27Å; R254-E904 IonicContact CZ-OE1 2.72Å; R254-E904 IonicContact NE-OE1 3.87Å; R254-E904 IonicContact NH1-OE1 3.26Å; R254-E904 PolarHBondContact NH1-OE1 3.44Å; R254-N908 PolarHBondContact NH1-ND2 2.93Å; R254-N908 PolarHBondContact NH1-OD1 3.26Å; R254-N908 PolarHBondContact NH2-OD1 3.49Å
255E87.5Confident92Very high50 Ų5031 Ų3123%0.23415%0.15CC..Hα-helixtrans-79.3-22.3-178-57-165.7159.800112.5K220 L251 G252 A253 F259K220-E255 WeakPolarHBondContact CE-OE1 3.29Å; K220-E255 VanDerWaalsContact CE-OE2 3.28Å; K220-E255 WeakPolarHBondContact CE-OE2 3.46Å; K220-E255 IonicContact NZ-OE1 3.99Å; K220-E255 PolarHBondContact NZ-OE1 3.48Å; L251-E255 HydrophobicContact CB-CB 4.24Å; L251-E255 HydrophobicContact CD1-CB 4.47Å; L251-E255 HydrophobicContact CD2-CB 4.17Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.48Å; G252-E255 PolarHBondContact O-N 3.41Å; A253-E255 PolarHBondContact O-N 2.96Å; E255-F259 WeakPolarHBondContact O-CE2 3.44Å
256M91.7Very high91.8Very high3 Ų331.4 Ų31.42%0.01515%0.152CC..Hα-helixtrans-76.8-20.5179.9-166.6173.9-6900113.4L247 C249 L251 G252 A253 F259 I260 P275L247-M256 HydrophobicContact CB-CE 4.47Å; L247-M256 HydrophobicContact CB-CG 4.29Å; L247-M256 HydrophobicContact CB-SD 3.75Å; L247-M256 HydrophobicContact CD1-CG 4.31Å; C249-M256 WeakPolarHBondContact O-CE 3.3Å; L251-M256 HydrophobicContact CB-CB 4.3Å; L251-M256 HydrophobicContact CB-CE 4.15Å; G252-M256 PolarHBondContact O-N 2.98Å; G252-M256 VanDerWaalsContact O-N 3.15Å; A253-M256 PolarHBondContact O-N 3.25Å; A253-M256 VanDerWaalsContact O-N 3.09Å; M256-F259 PolarHBondContact O-N 3.07Å; M256-I260 PolarHBondContact O-N 3.24Å; M256-P275 HydrophobicContact CE-CB 3.84Å; M256-P275 HydrophobicContact SD-CB 4.08Å
257R93Very high91.7Very high85 Ų8532.2 Ų32.232%0.32116%0.157SC..Hα-helixtrans-48.2-55-175.2-170.7-178.9-174.1-70.70.5115.5A253 F259 I260 E261 D299 F300A253-R257 PolarHBondContact O-N 3.5Å; R257-F259 PolarHBondContact O-N 2.89Å; R257-I260 VanDerWaalsContact O-CG2 3.31Å; R257-I260 WeakPolarHBondContact O-CG2 2.92Å; R257-I260 PolarHBondContact O-N 3.19Å; R257-E261 IonicContact NH1-OE2 3.71Å; R257-E261 PolarHBondContact O-N 3Å; R257-D299 IonicContact CZ-OD2 3.57Å; R257-D299 IonicContact NE-OD2 2.75Å; R257-D299 PolarHBondContact NE-OD2 3.3Å; R257-D299 IonicContact NH2-OD2 3.57Å; R257-F300 HydrophobicContact CB-CE1 3.52Å; R257-F300 HydrophobicContact CB-CZ 3.74Å; R257-F300 HydrophobicContact CG-CD1 4.13Å; R257-F300 HydrophobicContact CG-CE1 3.5Å; R257-F300 VanDerWaalsContact CG-CE1 3.5Å; R257-F300 HydrophobicContact CG-CZ 4.17Å
258P91.3Very high91.5Very high70 Ų7035.4 Ų35.446%0.45518%0.179SC..Hα-helixtrans-62.9-28.5-178.624.7-35.3000112.7S262P258-S262 PolarHBondContact O-N 3.29Å; P258-S262 VanDerWaalsContact O-N 3.1Å
259F94.6Very high91.5Very high29 Ų2936 Ų3613%0.12718%0.184CC..Hα-helixtrans-79.4-38.9-179.8-51.5-50.5000111.7I217 G222 V230 L247 L251 E255 M256 R257 E261 S262 V263I217-F259 HydrophobicContact CG2-CD2 4.1Å; I217-F259 HydrophobicContact CG2-CE2 4.09Å; G222-F259 VanDerWaalsContact CA-CZ 3.43Å; V230-F259 HydrophobicContact CG2-CB 4.09Å; V230-F259 HydrophobicContact CG2-CD1 4.29Å; V230-F259 HydrophobicContact CG2-CG 4.47Å; L247-F259 HydrophobicContact CD1-CB 3.54Å; L251-F259 HydrophobicContact CD1-CD2 3.78Å; L251-F259 HydrophobicContact CD1-CE2 3.68Å; E255-F259 WeakPolarHBondContact O-CE2 3.44Å; M256-F259 PolarHBondContact O-N 3.07Å; R257-F259 PolarHBondContact O-N 2.89Å; F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 2.62Å; F259-S262 WeakPolarHBondContact O-CB 3.42Å; F259-S262 PolarHBondContact O-N 3.1Å; F259-S262 VanDerWaalsContact O-N 3.16Å; F259-V263 WeakPolarHBondContact O-CG2 3.36Å; F259-V263 PolarHBondContact O-N 2.86Å
260I95.9Very high92Very high0 Ų035.5 Ų35.50%018%0.18CC..Hα-helixtrans-67.4-32.4173.8-156.966.3000111.6L247 M256 R257 V263 S264 V271 C273 F300 L305 V306L247-I260 HydrophobicContact CB-CD1 4.36Å; L247-I260 HydrophobicContact CG-CD1 4.45Å; M256-I260 PolarHBondContact O-N 3.24Å; R257-I260 VanDerWaalsContact O-CG2 3.31Å; R257-I260 WeakPolarHBondContact O-CG2 2.92Å; R257-I260 PolarHBondContact O-N 3.19Å; I260-V263 HydrophobicContact CD1-CB 4.37Å; I260-V263 PolarHBondContact O-N 3Å; I260-S264 WeakPolarHBondContact O-CB 3.42Å; I260-S264 PolarHBondContact O-N 3.23Å; I260-V271 HydrophobicContact CD1-CG1 3.59Å; I260-V271 HydrophobicContact CG1-CG1 3.98Å; I260-C273 HydrophobicContact CD1-CB 3.76Å; I260-C273 HydrophobicContact CG1-CB 3.96Å; I260-F300 HydrophobicContact CG2-CD2 3.96Å; I260-F300 HydrophobicContact CG2-CE2 3.91Å; I260-F300 HydrophobicContact CG2-CG 4.32Å; I260-F300 HydrophobicContact CG2-CZ 4.25Å; I260-L305 HydrophobicContact CG2-CD1 4.11Å; I260-V306 HydrophobicContact CG1-CG1 3.9Å
261E94.3Very high92.9Very high69 Ų6934.1 Ų34.132%0.32217%0.168SC..Hα-helixtrans-63.9-41.5170.2-176.7174.8-169.900111.9R257 F259 S264 R265 L305R257-E261 IonicContact NH1-OE2 3.71Å; R257-E261 PolarHBondContact O-N 3Å; F259-E261 VanDerWaalsContact C-N 3.28Å; F259-E261 PolarHBondContact O-N 2.62Å; E261-S264 PolarHBondContact O-N 2.89Å; E261-R265 WeakPolarHBondContact O-CG 3.21Å; E261-R265 PolarHBondContact O-N 2.94Å; E261-L305 HydrophobicContact CB-CD1 4.2Å; E261-L305 HydrophobicContact CB-CD2 4.34Å; E261-L305 HydrophobicContact CG-CD2 4.2Å
262S94.1Very high93.7Very high23 Ų2333.9 Ų33.916%0.16117%0.167CC..Hα-helixtrans-61.2-42.5172-170.80000112.1P258 F259 R265 N266P258-S262 PolarHBondContact O-N 3.29Å; P258-S262 VanDerWaalsContact O-N 3.1Å; F259-S262 WeakPolarHBondContact O-CB 3.42Å; F259-S262 PolarHBondContact O-N 3.1Å; F259-S262 VanDerWaalsContact O-N 3.16Å; S262-R265 PolarHBondContact O-N 3.01Å; S262-N266 WeakPolarHBondContact O-CB 3.4Å; S262-N266 PolarHBondContact O-N 3.12Å; S262-N266 VanDerWaalsContact O-N 3.16Å; S262-N266 PolarHBondContact O-ND2 3.22Å; S262-N266 PolarHBondContact OG-ND2 3.26Å
263V96.9Very high94.3Very high1 Ų133.7 Ų33.71%0.00617%0.165CC..Hα-helixtrans-60-48.9173.7175.60000110.9V230 L234 V245 L247 F259 I260 R265 N266 T267 V271V230-V263 HydrophobicContact CG1-CG2 3.5Å; V230-V263 VanDerWaalsContact CG1-CG2 3.5Å; L234-V263 HydrophobicContact CD1-CB 4.35Å; L234-V263 HydrophobicContact CD1-CG1 4.31Å; L234-V263 HydrophobicContact CD1-CG2 4.25Å; L234-V263 HydrophobicContact CD2-CG1 4.37Å; V245-V263 HydrophobicContact CG2-CG1 4.15Å; L247-V263 HydrophobicContact CD1-CG2 3.99Å; L247-V263 HydrophobicContact CD2-CG2 4.43Å; L247-V263 HydrophobicContact CG-CG2 3.95Å; F259-V263 WeakPolarHBondContact O-CG2 3.36Å; F259-V263 PolarHBondContact O-N 2.86Å; I260-V263 HydrophobicContact CD1-CB 4.37Å; I260-V263 PolarHBondContact O-N 3Å; V263-R265 VanDerWaalsContact C-N 3.27Å; V263-R265 PolarHBondContact O-N 3.49Å; V263-N266 PolarHBondContact O-N 3.47Å; V263-N266 VanDerWaalsContact O-N 3.1Å; V263-T267 HydrophobicContact CG1-CG2 4.18Å; V263-T267 WeakPolarHBondContact O-CG2 3.19Å; V263-T267 PolarHBondContact O-N 3.08Å; V263-V271 HydrophobicContact CG1-CG1 4.1Å; V263-V271 HydrophobicContact CG1-CG2 4.11Å
264S95.4Very high94.7Very high14 Ų1433.8 Ų33.810%0.09817%0.165CC..Hα-helixtrans-56.7-37.8179.2178.60000112.7I260 E261 R333I260-S264 WeakPolarHBondContact O-CB 3.42Å; I260-S264 PolarHBondContact O-N 3.23Å; E261-S264 PolarHBondContact O-N 2.89Å; S264-R333 PolarHBondContact O-NE 2.95Å; S264-R333 PolarHBondContact O-NH2 3.18Å; S264-R333 VanDerWaalsContact OG-CD 3.26Å; S264-R333 WeakPolarHBondContact OG-CD 3.49Å; S264-R333 PolarHBondContact OG-NE 3.29Å
265R93.7Very high95.1Very high160 Ų16030.1 Ų30.160%0.60415%0.151SC*.Hα-helixtrans-76.1-28.9178.1-71.1-175.2-65.2170.5-1.4113.8E261 S262 V263E261-R265 WeakPolarHBondContact O-CG 3.21Å; E261-R265 PolarHBondContact O-N 2.94Å; S262-R265 PolarHBondContact O-N 3.01Å; V263-R265 VanDerWaalsContact C-N 3.27Å; V263-R265 PolarHBondContact O-N 3.49Å
266N94.8Very high95.4Very high16 Ų1627.9 Ų27.99%0.08614%0.141CC..Hα-helixtrans-108.413.6-165.2-70-59.4000114.6E231 L234 S262 V263 Y340 R353E231-N266 HydrophobicContact CG-CB 4.28Å; L234-N266 HydrophobicContact CD1-CB 3.91Å; S262-N266 WeakPolarHBondContact O-CB 3.4Å; S262-N266 PolarHBondContact O-N 3.12Å; S262-N266 VanDerWaalsContact O-N 3.16Å; S262-N266 PolarHBondContact O-ND2 3.22Å; S262-N266 PolarHBondContact OG-ND2 3.26Å; V263-N266 PolarHBondContact O-N 3.47Å; V263-N266 VanDerWaalsContact O-N 3.1Å; N266-Y340 WeakPolarHBondContact CB-OH 3.28Å; N266-Y340 PolarHBondContact O-OH 3.3Å; N266-R353 PolarHBondContact OD1-NH2 2.93Å
267T95.7Very high95.4Very high17 Ų1727.8 Ų27.810%0.10414%0.14CC..  trans-139.2144.6177.3-168.30000114.1V245 V263 A269 V271 R333 P336 V339V245-T267 HydrophobicContact CG2-CG2 3.56Å; V245-T267 WeakPolarHBondContact CG2-OG1 3.38Å; V263-T267 HydrophobicContact CG1-CG2 4.18Å; V263-T267 WeakPolarHBondContact O-CG2 3.19Å; V263-T267 PolarHBondContact O-N 3.08Å; T267-A269 PolarHBondContact OG1-N 2.99Å; T267-A269 VanDerWaalsContact OG1-N 3.17Å; T267-V271 HydrophobicContact CG2-CG2 3.86Å; T267-R333 PolarHBondContact O-NH2 2.95Å; T267-P336 WeakPolarHBondContact O-CD 3.41Å; T267-P336 WeakPolarHBondContact O-CG 3.38Å; T267-V339 VanDerWaalsContact C-CG2 3.44Å
268S94.6Very high95.1Very high69 Ų6924.1 Ų24.148%0.48313%0.129SC..SBendtrans-91.8-5.5169.960.20000113P335 P336S268-P335 VanDerWaalsContact O-CB 3.25Å; S268-P335 WeakPolarHBondContact O-CB 3.37Å; S268-P336 WeakPolarHBondContact CB-O 3.31Å
269A96.7Very high94.8Very high12 Ų1225 Ų2510%0.09913%0.13CC..SBendtrans-74.7167.5172.800000110.9A242 V245 T267 R333A242-A269 WeakPolarHBondContact O-CB 3.42Å; V245-A269 HydrophobicContact CG1-CB 4.13Å; V245-A269 HydrophobicContact CG2-CB 4.09Å; T267-A269 PolarHBondContact OG1-N 2.99Å; T267-A269 VanDerWaalsContact OG1-N 3.17Å; A269-R333 PolarHBondContact O-NH1 3.46Å
270F98.3Very high94Very high13 Ų1326.7 Ų26.76%0.05714%0.144CC..EExtended strand (participates in β ladder)trans-65.6156.1165.5-64.2-63000110.3W12 L15 M243 C244 V245 N307 P335W12-F270 AromaticContact CD1-CE2 3.67Å; W12-F270 HydrophobicContact CD2-CZ 4.49Å; W12-F270 HydrophobicContact CG-CE2 4.28Å; W12-F270 HydrophobicContact CZ2-CZ 4.45Å; W12-F270 AromaticContact NE1-CE2 3.65Å; W12-F270 AromaticContact NE1-CZ 3.85Å; L15-F270 HydrophobicContact CB-CD1 4.34Å; L15-F270 HydrophobicContact CB-CD2 4.2Å; L15-F270 HydrophobicContact CB-CE1 4.21Å; L15-F270 HydrophobicContact CB-CE2 4.08Å; L15-F270 HydrophobicContact CB-CG 4.32Å; L15-F270 HydrophobicContact CB-CZ 4.07Å; L15-F270 HydrophobicContact CD1-CD2 3.75Å; L15-F270 HydrophobicContact CD1-CE2 4.1Å; L15-F270 HydrophobicContact CD1-CG 4.29Å; M243-F270 HydrophobicContact CG-CD2 4.03Å; M243-F270 HydrophobicContact CG-CE2 4.44Å; M243-F270 WeakPolarHBondContact O-CD2 3.32Å; M243-F270 PolarHBondContact O-N 3.4Å; C244-F270 CarbonylContact C-O 3.58Å; C244-F270 VanDerWaalsContact CA-O 3.26Å; C244-F270 WeakPolarHBondContact CA-O 3.33Å; C244-F270 HydrophobicContact CB-CB 4.3Å; C244-F270 PolarHBondContact SG-O 3.05Å; V245-F270 PolarHBondContact N-O 3.14Å; F270-N307 WeakPolarHBondContact CA-OD1 3.28Å; F270-N307 HydrophobicContact CB-CB 3.99Å; F270-N307 HydrophobicContact CD1-CB 4.21Å; F270-N307 VanDerWaalsContact CD1-CG 3.47Å; F270-N307 VanDerWaalsContact CD1-ND2 3.34Å; F270-N307 WeakPolarHBondContact CD1-ND2 3.21Å; F270-N307 HydrophobicContact CG-CB 4.44Å; F270-P335 HydrophobicContact CD1-CG 3.64Å; F270-P335 HydrophobicContact CE1-CG 3.82Å
271V98.6Very high92.9Very high0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-111.6129.8-177.51790000111.8C244 V245 I260 V263 T267 L305 V306 N307 I308C244-V271 VanDerWaalsContact SG-C 3.58Å; V245-V271 VanDerWaalsContact O-CA 3.28Å; V245-V271 WeakPolarHBondContact O-CA 3.44Å; I260-V271 HydrophobicContact CD1-CG1 3.59Å; I260-V271 HydrophobicContact CG1-CG1 3.98Å; V263-V271 HydrophobicContact CG1-CG1 4.1Å; V263-V271 HydrophobicContact CG1-CG2 4.11Å; T267-V271 HydrophobicContact CG2-CG2 3.86Å; V271-L305 WeakPolarHBondContact CB-O 3.38Å; V271-L305 WeakPolarHBondContact CG1-O 3.22Å; V271-V306 HydrophobicContact CG1-CG1 4.15Å; V271-N307 PolarHBondContact N-OD1 3.07Å; V271-N307 PolarHBondContact O-N 2.99Å; V271-I308 PolarHBondContact O-N 2.9Å
272I98.6Very high91.5Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-113.1138.6176-176.5164.7000110.6L22 F212 C244 V245 G246 L247 Y274 I308L22-I272 HydrophobicContact CD2-CD1 4.19Å; F212-I272 HydrophobicContact CD2-CD1 4.3Å; C244-I272 WeakPolarHBondContact SG-CB 3.48Å; C244-I272 VanDerWaalsContact SG-CG2 3.58Å; C244-I272 PolarHBondContact SG-N 3.48Å; C244-I272 VanDerWaalsContact SG-N 3.43Å; V245-I272 PolarHBondContact O-N 3.35Å; G246-I272 WeakPolarHBondContact CA-O 3.38Å; L247-I272 PolarHBondContact N-O 3.36Å; I272-Y274 HydrophobicContact CD1-CD1 4.07Å; I272-Y274 HydrophobicContact CD1-CE1 3.91Å; I272-Y274 HydrophobicContact CG1-CD1 3.68Å; I272-Y274 HydrophobicContact CG1-CE1 3.85Å; I272-Y274 HydrophobicContact CG2-CE1 4.48Å; I272-I308 WeakPolarHBondContact CA-O 3.27Å; I272-I308 HydrophobicContact CB-CB 3.96Å; I272-I308 HydrophobicContact CB-CD1 4.35Å; I272-I308 HydrophobicContact CD1-CB 4.06Å; I272-I308 HydrophobicContact CD1-CD1 4.03Å; I272-I308 HydrophobicContact CD1-CG2 3.74Å; I272-I308 HydrophobicContact CG1-CB 3.73Å; I272-I308 HydrophobicContact CG1-CD1 4.43Å; I272-I308 HydrophobicContact CG1-CG2 3.78Å
273C98.1Very high89.9Confident0 Ų033.9 Ų33.90%019%0.192CC..EExtended strand (participates in β ladder)trans-143.1121.1176.5-1730000111.1L247 I260 V306 I308 V309 G310L247-C273 WeakPolarHBondContact O-CA 2.99Å; I260-C273 HydrophobicContact CD1-CB 3.76Å; I260-C273 HydrophobicContact CG1-CB 3.96Å; C273-V306 HydrophobicContact CB-CG1 3.85Å; C273-I308 PolarHBondContact N-O 3.34Å; C273-V309 VanDerWaalsContact O-CA 3.28Å; C273-V309 WeakPolarHBondContact O-CA 3.49Å; C273-G310 PolarHBondContact O-N 3.48Å; C273-G310 VanDerWaalsContact O-N 3.16Å
274Y97.9Very high88.4Confident1 Ų136.4 Ų36.40%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-143.278.6-178.154.3-69.7000109.6L22 E183 S214 L247 N248 C249 I272 G310 C312L22-Y274 HydrophobicContact CD2-CD1 3.94Å; L22-Y274 HydrophobicContact CD2-CD2 3.66Å; L22-Y274 HydrophobicContact CD2-CE1 4.2Å; L22-Y274 HydrophobicContact CD2-CE2 3.93Å; L22-Y274 HydrophobicContact CD2-CG 3.67Å; E183-Y274 WeakPolarHBondContact CB-OH 3.4Å; E183-Y274 WeakPolarHBondContact OE2-CE2 3.45Å; E183-Y274 PolarHBondContact OE2-OH 3.14Å; S214-Y274 VanDerWaalsContact CB-OH 3.27Å; S214-Y274 WeakPolarHBondContact CB-OH 3.38Å; S214-Y274 WeakPolarHBondContact OG-CE1 3.25Å; L247-Y274 PolarHBondContact O-N 3.19Å; N248-Y274 WeakPolarHBondContact CA-O 3.29Å; N248-Y274 HydrophobicContact CB-CD1 3.62Å; N248-Y274 HydrophobicContact CB-CD2 3.5Å; N248-Y274 HydrophobicContact CB-CE1 3.42Å; N248-Y274 VanDerWaalsContact CB-CE1 3.42Å; N248-Y274 HydrophobicContact CB-CE2 3.29Å; N248-Y274 HydrophobicContact CB-CG 3.66Å; N248-Y274 WeakPolarHBondContact CB-O 3.31Å; N248-Y274 VanDerWaalsContact CG-CZ 3.43Å; N248-Y274 WeakPolarHBondContact ND2-CE2 3.49Å; C249-Y274 PolarHBondContact N-O 2.91Å; I272-Y274 HydrophobicContact CD1-CD1 4.07Å; I272-Y274 HydrophobicContact CD1-CE1 3.91Å; I272-Y274 HydrophobicContact CG1-CD1 3.68Å; I272-Y274 HydrophobicContact CG1-CE1 3.85Å; I272-Y274 HydrophobicContact CG2-CE1 4.48Å; Y274-G310 VanDerWaalsContact CB-C 3.5Å; Y274-C312 HydrophobicContact CD2-CB 4.34Å; Y274-C312 WeakPolarHBondContact O-CB 3.47Å
275P95.7Very high87.4Confident0 Ų036.8 Ų36.80%022%0.224CC..EExtended strand (participates in β ladder)trans-73.3171.7-177.430.9-33.2000111.7L251 A253 M256 L297 C312L251-P275 WeakPolarHBondContact O-CB 3.41Å; A253-P275 HydrophobicContact CB-CB 4.3Å; A253-P275 HydrophobicContact CB-CG 3.6Å; M256-P275 HydrophobicContact CE-CB 3.84Å; M256-P275 HydrophobicContact SD-CB 4.08Å; P275-L297 HydrophobicContact CG-CD2 4.01Å; P275-C312 PolarHBondContact O-N 3.35Å
276N93.9Very high87Confident4 Ų431.1 Ų31.12%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-67.9160.4166.2-70.1-16.9000110.8A250 L251 G278 Y286 C312 C313A250-N276 PolarHBondContact N-ND2 3.15Å; L251-N276 PolarHBondContact O-N 2.91Å; N276-G278 WeakPolarHBondContact CB-O 3.31Å; N276-G278 PolarHBondContact O-N 2.92Å; N276-Y286 HydrophobicContact CB-CD1 4.22Å; N276-Y286 HydrophobicContact CB-CE1 3.75Å; N276-C312 WeakPolarHBondContact OD1-CB 3.34Å; N276-C313 WeakPolarHBondContact CA-O 3.36Å; N276-C313 WeakPolarHBondContact OD1-CB 3.34Å; N276-C313 PolarHBondContact OD1-N 3.16Å
277A90.7Very high86.5Confident0 Ų034.1 Ų34.10%022%0.219CC..SBendtrans-70.874167.300000109.8Y286 E288 C313 T315A277-Y286 WeakPolarHBondContact O-CD1 3.43Å; A277-E288 HydrophobicContact CB-CB 4.18Å; A277-E288 VanDerWaalsContact O-CB 3.26Å; A277-E288 WeakPolarHBondContact O-CB 3.48Å; A277-C313 PolarHBondContact N-O 3.31Å; A277-T315 HydrophobicContact CB-CG2 4.02Å
278G87.7Confident86.1Confident9 Ų934.6 Ų34.69%0.09322%0.22CC..SBendtrans73.1-164.8-171.600000113.5N276 E288N276-G278 WeakPolarHBondContact CB-O 3.31Å; N276-G278 PolarHBondContact O-N 2.92Å; G278-E288 PolarHBondContact N-OE1 3.01Å
279L85.5Confident85.9Confident89 Ų8935.6 Ų35.647%0.46622%0.217SC..SBendtrans-83.5148170.8-65.5175.6000109.7N281L279-N281 PolarHBondContact O-N 3.28Å
280P76.3Confident85.8Confident64 Ų6436.2 Ų36.242%0.41622%0.22SC..  trans-62139.6173.926.9-33.8000110.5G285 Y286P280-G285 CarbonylContact C-O 3.58Å; P280-G285 WeakPolarHBondContact CA-O 2.97Å; P280-Y286 HydrophobicContact CB-CE1 4.03Å
281N73.4Confident85.5Confident31 Ų3139.1 Ų39.117%0.16624%0.242CC..  trans-75.8175.91737225.5000110.8L279 F283 G284 G285 D287L279-N281 PolarHBondContact O-N 3.28Å; N281-F283 PolarHBondContact O-N 3.34Å; N281-F283 WeakPolarHBondContact OD1-CA 3.5Å; N281-F283 PolarHBondContact OD1-N 3.12Å; N281-G284 PolarHBondContact O-N 3.04Å; N281-G284 PolarHBondContact OD1-N 2.86Å; N281-G285 PolarHBondContact N-O 3.06Å; N281-G285 PolarHBondContact OD1-N 2.62Å; N281-D287 WeakPolarHBondContact CB-OD2 3.28Å; N281-D287 PolarHBondContact ND2-OD1 3.39Å
282A65.7Low85.2Confident102 Ų10239.5 Ų39.584%0.84325%0.245SC*.THydrogen-bonded Turntrans-60.9-15-177.200000114.6
283F60.9Low84.9Confident109 Ų10939.6 Ų39.648%0.47825%0.245SC..THydrogen-bonded Turntrans-101.81.8178.9-57.5-76.2000113.3N281 G285 E1059N281-F283 PolarHBondContact O-N 3.34Å; N281-F283 WeakPolarHBondContact OD1-CA 3.5Å; N281-F283 PolarHBondContact OD1-N 3.12Å; F283-G285 VanDerWaalsContact C-N 3.33Å; F283-E1059 VanDerWaalsContact CB-OE1 3.3Å; F283-E1059 WeakPolarHBondContact CB-OE1 3.37Å; F283-E1059 WeakPolarHBondContact CD2-OE2 3.45Å; F283-E1059 WeakPolarHBondContact CE2-OE2 3.34Å; F283-E1059 WeakPolarHBondContact CG-OE1 3.32Å
284G64.4Low84.8Confident54 Ų5439.8 Ų39.856%0.55725%0.247SC*.SBendtrans79.910.2-175.900000114.6N281N281-G284 PolarHBondContact O-N 3.04Å; N281-G284 PolarHBondContact OD1-N 2.86Å
285G75.4Confident84.7Confident22 Ų2243.5 Ų43.523%0.22727%0.273CS..  trans-85.4-179168.800000112.7P280 N281 F283P280-G285 CarbonylContact C-O 3.58Å; P280-G285 WeakPolarHBondContact CA-O 2.97Å; N281-G285 PolarHBondContact N-O 3.06Å; N281-G285 PolarHBondContact OD1-N 2.62Å; F283-G285 VanDerWaalsContact C-N 3.33Å
286Y84.8Confident84.6Confident41 Ų4145 Ų4516%0.16128%0.281CS..  trans-139.392.6-170.9-74.4-87.4000111.9N276 A277 P280 E288 C313 G314 E1055N276-Y286 HydrophobicContact CB-CD1 4.22Å; N276-Y286 HydrophobicContact CB-CE1 3.75Å; A277-Y286 WeakPolarHBondContact O-CD1 3.43Å; P280-Y286 HydrophobicContact CB-CE1 4.03Å; Y286-E288 VanDerWaalsContact C-N 3.27Å; Y286-E288 PolarHBondContact O-N 3.16Å; Y286-E288 VanDerWaalsContact O-N 3.14Å; Y286-C313 HydrophobicContact CE1-CB 4.01Å; Y286-C313 HydrophobicContact CE2-CB 3.62Å; Y286-C313 WeakPolarHBondContact OH-CB 3.46Å; Y286-G314 VanDerWaalsContact CG-CA 3.49Å; Y286-E1055 PolarHBondContact N-OE2 3.03Å; Y286-E1055 VanDerWaalsContact O-OE2 3.05Å
287D84.5Confident84.8Confident79 Ų7944.8 Ų44.842%0.42228%0.28SS..  trans-68-13.9-167.6-56.3-32.1000115.9N281 Q289 E1055N281-D287 WeakPolarHBondContact CB-OD2 3.28Å; N281-D287 PolarHBondContact ND2-OD1 3.39Å; D287-Q289 PolarHBondContact O-N 3.38Å; D287-Q289 PolarHBondContact O-NE2 2.77Å; D287-E1055 VanDerWaalsContact CA-CD 3.42Å; D287-E1055 VanDerWaalsContact CA-OE1 3.29Å; D287-E1055 WeakPolarHBondContact CA-OE1 3.19Å; D287-E1055 WeakPolarHBondContact OD1-CG 3.35Å
288E86Confident85.1Confident27 Ų2749.4 Ų49.413%0.12630%0.3CS..  trans-68.1124.2-175-165.8177.590.200111.2A277 G278 Y286 C292 T293 H319A277-E288 HydrophobicContact CB-CB 4.18Å; A277-E288 VanDerWaalsContact O-CB 3.26Å; A277-E288 WeakPolarHBondContact O-CB 3.48Å; G278-E288 PolarHBondContact N-OE1 3.01Å; Y286-E288 VanDerWaalsContact C-N 3.27Å; Y286-E288 PolarHBondContact O-N 3.16Å; Y286-E288 VanDerWaalsContact O-N 3.14Å; E288-C292 HydrophobicContact CG-CB 3.93Å; E288-T293 WeakPolarHBondContact OE1-CA 3.48Å; E288-T293 WeakPolarHBondContact OE1-CB 3.38Å; E288-T293 PolarHBondContact OE1-OG1 3.29Å; E288-H319 PolarHBondContact O-NE2 3.19Å; E288-H319 VanDerWaalsContact O-NE2 3.15Å
289Q90.5Very high85.4Confident90 Ų9052 Ų5242%0.42131%0.311SS..  trans-79153.2-176.2-61.6-59.2-67.100112.4D287 S291 C292 T293D287-Q289 PolarHBondContact O-N 3.38Å; D287-Q289 PolarHBondContact O-NE2 2.77Å; Q289-S291 PolarHBondContact O-N 2.77Å; Q289-C292 WeakPolarHBondContact O-CB 3.27Å; Q289-C292 PolarHBondContact O-N 3.48Å; Q289-T293 PolarHBondContact O-N 3.37Å; Q289-T293 VanDerWaalsContact O-N 3.14Å; Q289-T293 PolarHBondContact O-OG1 2.95Å
290P95.2Very high86Confident25 Ų2547.8 Ų47.816%0.16229%0.29CS..Hα-helixtrans-45.6-42.2176.5-3436.6000115.5A294 E318 H319 E322P290-A294 WeakPolarHBondContact O-CB 3.26Å; P290-A294 PolarHBondContact O-N 3.25Å; P290-E318 HydrophobicContact CG-CB 4.06Å; P290-H319 VanDerWaalsContact CA-CD2 3.49Å; P290-H319 WeakPolarHBondContact CA-CD2 3.18Å; P290-E322 HydrophobicContact CB-CB 4.26Å; P290-E322 HydrophobicContact CB-CG 3.7Å
291S91.9Very high86.9Confident74 Ų7444.8 Ų44.852%0.51727%0.27SS..Hα-helixtrans-68.8-35.8179.7520000113.1Q289 S295Q289-S291 PolarHBondContact O-N 2.77Å; S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 3.04Å
292C92.7Very high88Confident9 Ų947.9 Ų47.96%0.06129%0.29CS..Hα-helixtrans-69.4-51.5178.1177.60000110E288 Q289 A294 S295 L296E288-C292 HydrophobicContact CG-CB 3.93Å; Q289-C292 WeakPolarHBondContact O-CB 3.27Å; Q289-C292 PolarHBondContact O-N 3.48Å; C292-A294 VanDerWaalsContact C-N 3.28Å; C292-A294 PolarHBondContact O-N 2.85Å; C292-S295 WeakPolarHBondContact O-CB 3.29Å; C292-S295 PolarHBondContact O-N 3.39Å; C292-S295 VanDerWaalsContact O-N 3.1Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 3.39Å
293T92.8Very high89.4Confident1 Ų145.6 Ų45.61%0.00627%0.268CS..Hα-helixtrans-55.5-44.4176-48.90000111.4E288 Q289 S295 L296 L297 I323E288-T293 WeakPolarHBondContact OE1-CA 3.48Å; E288-T293 WeakPolarHBondContact OE1-CB 3.38Å; E288-T293 PolarHBondContact OE1-OG1 3.29Å; Q289-T293 PolarHBondContact O-N 3.37Å; Q289-T293 VanDerWaalsContact O-N 3.14Å; Q289-T293 PolarHBondContact O-OG1 2.95Å; T293-S295 PolarHBondContact O-N 2.97Å; T293-L296 PolarHBondContact O-N 3.23Å; T293-L297 HydrophobicContact CG2-CD1 4.05Å; T293-L297 WeakPolarHBondContact O-CG 3.47Å; T293-L297 PolarHBondContact O-N 3.46Å; T293-I323 HydrophobicContact CG2-CD1 4.27Å
294A96Very high91.1Very high4 Ų441.8 Ų41.83%0.03326%0.259CS..Hα-helixtrans-65.4-37.6178.500000113.2P290 C292 K298 E322 I323 A326P290-A294 WeakPolarHBondContact O-CB 3.26Å; P290-A294 PolarHBondContact O-N 3.25Å; C292-A294 VanDerWaalsContact C-N 3.28Å; C292-A294 PolarHBondContact O-N 2.85Å; A294-K298 VanDerWaalsContact O-CB 3.23Å; A294-K298 WeakPolarHBondContact O-CB 3.48Å; A294-K298 PolarHBondContact O-N 3.42Å; A294-E322 HydrophobicContact CB-CB 3.67Å; A294-I323 HydrophobicContact CB-CG1 4.06Å; A294-A326 HydrophobicContact CB-CB 4.05Å
295S94.4Very high92.6Very high80 Ų8039.9 Ų39.956%0.55924%0.236SC*.Hα-helixtrans-63.6-46.2175.7-168.20000111.6S291 C292 T293 K298 D299S291-S295 WeakPolarHBondContact O-CB 3.46Å; S291-S295 PolarHBondContact O-N 3.04Å; C292-S295 WeakPolarHBondContact O-CB 3.29Å; C292-S295 PolarHBondContact O-N 3.39Å; C292-S295 VanDerWaalsContact O-N 3.1Å; T293-S295 PolarHBondContact O-N 2.97Å; S295-K298 WeakPolarHBondContact O-CB 3.47Å; S295-K298 PolarHBondContact O-N 3.35Å; S295-D299 PolarHBondContact O-N 3.12Å
296L94.6Very high93.7Very high31 Ų3138.9 Ų38.916%0.16223%0.225CC..Hα-helixtrans-65-43.9179.1-66.3168.5000112.1A253 R254 C292 T293 K298 D299 F300A253-L296 HydrophobicContact CB-CB 3.66Å; A253-L296 HydrophobicContact CB-CD1 3.96Å; A253-L296 HydrophobicContact CB-CG 4.44Å; R254-L296 HydrophobicContact CB-CD1 4.1Å; R254-L296 HydrophobicContact CB-CD2 4.28Å; C292-L296 WeakPolarHBondContact O-CG 3.39Å; C292-L296 PolarHBondContact O-N 3.39Å; T293-L296 PolarHBondContact O-N 3.23Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3.48Å; L296-D299 WeakPolarHBondContact O-CB 3.23Å; L296-D299 PolarHBondContact O-N 2.67Å; L296-F300 WeakPolarHBondContact O-CD1 3.49Å; L296-F300 PolarHBondContact O-N 3.01Å
297L96.8Very high94.4Very high0 Ų036.9 Ų36.90%022%0.218CC..Hα-helixtrans-70.6-28.1177.2-70.1175.3000112.9A253 P275 T293 D299 F300 A301 V309 G310 I323A253-L297 HydrophobicContact CB-CD2 4.43Å; P275-L297 HydrophobicContact CG-CD2 4.01Å; T293-L297 HydrophobicContact CG2-CD1 4.05Å; T293-L297 WeakPolarHBondContact O-CG 3.47Å; T293-L297 PolarHBondContact O-N 3.46Å; L297-D299 VanDerWaalsContact C-N 3.34Å; L297-F300 HydrophobicContact CD2-CD2 3.88Å; L297-F300 HydrophobicContact CD2-CE2 4.11Å; L297-F300 PolarHBondContact O-N 2.96Å; L297-A301 PolarHBondContact O-N 3.15Å; L297-A301 VanDerWaalsContact O-N 3.15Å; L297-V309 HydrophobicContact CD1-CB 4.42Å; L297-V309 HydrophobicContact CD2-CG1 4.43Å; L297-G310 WeakPolarHBondContact CD1-O 3.45Å; L297-I323 HydrophobicContact CD1-CD1 3.61Å; L297-I323 HydrophobicContact CD1-CG1 3.94Å; L297-I323 HydrophobicContact CD1-CG2 4.31Å
298K96.8Very high95Very high97 Ų9733.1 Ų33.142%0.42220%0.198SC..Hα-helixtrans-63.5-40.2171.4-178.4-176.2176.8-170.40111.5A294 S295 L296 F300 A301 V302 A326A294-K298 VanDerWaalsContact O-CB 3.23Å; A294-K298 WeakPolarHBondContact O-CB 3.48Å; A294-K298 PolarHBondContact O-N 3.42Å; S295-K298 WeakPolarHBondContact O-CB 3.47Å; S295-K298 PolarHBondContact O-N 3.35Å; L296-K298 VanDerWaalsContact C-N 3.32Å; L296-K298 PolarHBondContact O-N 3.48Å; K298-F300 VanDerWaalsContact C-N 3.27Å; K298-F300 PolarHBondContact O-N 3.07Å; K298-A301 PolarHBondContact O-N 2.71Å; K298-V302 HydrophobicContact CG-CG2 4.07Å; K298-V302 WeakPolarHBondContact O-CB 3.26Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.22Å; K298-V302 PolarHBondContact O-N 3.28Å; K298-A326 HydrophobicContact CB-CB 4.04Å; K298-A326 HydrophobicContact CD-CB 4.22Å; K298-A326 HydrophobicContact CG-CB 4.44Å
299D95.6Very high95.6Very high62 Ų6231.9 Ų31.933%0.33219%0.192SC..Hα-helixtrans-56.8-42.9174173.862.3000111.5R257 S295 L296 L297 A301 V302 S303R257-D299 IonicContact CZ-OD2 3.57Å; R257-D299 IonicContact NE-OD2 2.75Å; R257-D299 PolarHBondContact NE-OD2 3.3Å; R257-D299 IonicContact NH2-OD2 3.57Å; S295-D299 PolarHBondContact O-N 3.12Å; L296-D299 WeakPolarHBondContact O-CB 3.23Å; L296-D299 PolarHBondContact O-N 2.67Å; L297-D299 VanDerWaalsContact C-N 3.34Å; D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 2.8Å; D299-V302 PolarHBondContact O-N 3.3Å; D299-S303 WeakPolarHBondContact O-CB 3.42Å; D299-S303 PolarHBondContact O-N 3.31Å; D299-S303 PolarHBondContact O-OG 3.17Å; D299-S303 PolarHBondContact OD1-OG 2.93Å
300F96.7Very high96Very high2 Ų227.6 Ų27.61%0.00917%0.172CC..Hα-helixtrans-63.5-43.2179.9-63.84.9000111.5A253 R257 I260 L296 L297 K298 G304 L305 V306A253-F300 HydrophobicContact CB-CZ 4.45Å; A253-F300 WeakPolarHBondContact O-CZ 3.41Å; R257-F300 HydrophobicContact CB-CE1 3.52Å; R257-F300 HydrophobicContact CB-CZ 3.74Å; R257-F300 HydrophobicContact CG-CD1 4.13Å; R257-F300 HydrophobicContact CG-CE1 3.5Å; R257-F300 VanDerWaalsContact CG-CE1 3.5Å; R257-F300 HydrophobicContact CG-CZ 4.17Å; I260-F300 HydrophobicContact CG2-CD2 3.96Å; I260-F300 HydrophobicContact CG2-CE2 3.91Å; I260-F300 HydrophobicContact CG2-CG 4.32Å; I260-F300 HydrophobicContact CG2-CZ 4.25Å; L296-F300 WeakPolarHBondContact O-CD1 3.49Å; L296-F300 PolarHBondContact O-N 3.01Å; L297-F300 HydrophobicContact CD2-CD2 3.88Å; L297-F300 HydrophobicContact CD2-CE2 4.11Å; L297-F300 PolarHBondContact O-N 2.96Å; K298-F300 VanDerWaalsContact C-N 3.27Å; K298-F300 PolarHBondContact O-N 3.07Å; F300-G304 PolarHBondContact O-N 3.34Å; F300-L305 WeakPolarHBondContact O-CB 3.28Å; F300-L305 PolarHBondContact O-N 3.43Å; F300-V306 HydrophobicContact CB-CG1 4.22Å; F300-V306 HydrophobicContact CB-CG2 4.03Å
301A96.8Very high96Very high1 Ų126.4 Ų26.41%0.00816%0.164CC..Hα-helixtrans-65.6-46.7177.200000111.3V19 L297 K298 D299 S303 G304 V306 V327 V330V19-A301 HydrophobicContact CG2-CB 4.22Å; L297-A301 PolarHBondContact O-N 3.15Å; L297-A301 VanDerWaalsContact O-N 3.15Å; K298-A301 PolarHBondContact O-N 2.71Å; D299-A301 VanDerWaalsContact C-N 3.34Å; D299-A301 PolarHBondContact O-N 2.8Å; A301-S303 VanDerWaalsContact C-N 3.31Å; A301-S303 PolarHBondContact O-N 3.43Å; A301-G304 PolarHBondContact O-N 2.91Å; A301-V306 HydrophobicContact CB-CG2 4.22Å; A301-V327 HydrophobicContact CB-CB 4.42Å; A301-V327 HydrophobicContact CB-CG1 4Å; A301-V330 HydrophobicContact CB-CB 4.19Å; A301-V330 HydrophobicContact CB-CG1 3.7Å; A301-V330 VanDerWaalsContact O-CG1 3.31Å; A301-V330 WeakPolarHBondContact O-CG1 3.41Å
302V96.3Very high96.1Very high95 Ų9523.8 Ų23.858%0.57615%0.145SC*.Hα-helixtrans-65.2-37.3-178.9169.60000111.2K298 D299 G304 V330K298-V302 HydrophobicContact CG-CG2 4.07Å; K298-V302 WeakPolarHBondContact O-CB 3.26Å; K298-V302 VanDerWaalsContact O-CG2 3.26Å; K298-V302 WeakPolarHBondContact O-CG2 3.22Å; K298-V302 PolarHBondContact O-N 3.28Å; D299-V302 PolarHBondContact O-N 3.3Å; V302-G304 PolarHBondContact O-N 3.49Å; V302-V330 HydrophobicContact CG2-CG1 4.06Å; V302-V330 HydrophobicContact CG2-CG2 4.02Å
303S95Very high96Very high55 Ų5525.4 Ų25.439%0.38516%0.156SC..THydrogen-bonded Turntrans-72.1-1.1173.8-63.40000113.4D299 A301 L305D299-S303 WeakPolarHBondContact O-CB 3.42Å; D299-S303 PolarHBondContact O-N 3.31Å; D299-S303 PolarHBondContact O-OG 3.17Å; D299-S303 PolarHBondContact OD1-OG 2.93Å; A301-S303 VanDerWaalsContact C-N 3.31Å; A301-S303 PolarHBondContact O-N 3.43Å; S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 PolarHBondContact O-N 2.9Å
304G95.5Very high95.9Very high29 Ų2925.8 Ų25.830%0.29916%0.161SC..THydrogen-bonded Turntrans67.930177.900000113.7F300 A301 V302 R333F300-G304 PolarHBondContact O-N 3.34Å; A301-G304 PolarHBondContact O-N 2.91Å; V302-G304 PolarHBondContact O-N 3.49Å; G304-R333 WeakPolarHBondContact O-CB 3.48Å; G304-R333 VanDerWaalsContact O-CG 3.23Å; G304-R333 WeakPolarHBondContact O-CG 3.49Å
305L96.6Very high95.9Very high14 Ų1425.6 Ų25.67%0.07316%0.159CC..  trans-90.6-21.8-175.7-57-178.5000113.8I260 E261 V271 F300 S303 R333I260-L305 HydrophobicContact CG2-CD1 4.11Å; E261-L305 HydrophobicContact CB-CD1 4.2Å; E261-L305 HydrophobicContact CB-CD2 4.34Å; E261-L305 HydrophobicContact CG-CD2 4.2Å; V271-L305 WeakPolarHBondContact CB-O 3.38Å; V271-L305 WeakPolarHBondContact CG1-O 3.22Å; F300-L305 WeakPolarHBondContact O-CB 3.28Å; F300-L305 PolarHBondContact O-N 3.43Å; S303-L305 VanDerWaalsContact C-N 3.33Å; S303-L305 PolarHBondContact O-N 2.9Å; L305-R333 WeakPolarHBondContact O-CD 3.45Å
306V98.2Very high96Very high0 Ų022.1 Ų22.10%013%0.134CC..  trans-133.9155.9-168.2-64.20000113.3I260 V271 C273 F300 A301 V309 R333I260-V306 HydrophobicContact CG1-CG1 3.9Å; V271-V306 HydrophobicContact CG1-CG1 4.15Å; C273-V306 HydrophobicContact CB-CG1 3.85Å; F300-V306 HydrophobicContact CB-CG1 4.22Å; F300-V306 HydrophobicContact CB-CG2 4.03Å; A301-V306 HydrophobicContact CB-CG2 4.22Å; V306-V309 HydrophobicContact CB-CG1 4.27Å; V306-V309 HydrophobicContact CG2-CG1 3.6Å; V306-R333 WeakPolarHBondContact O-CB 3.35Å; V306-R333 PolarHBondContact O-N 3.16Å
307N98.5Very high96.2Very high0 Ų021.4 Ų21.40%013%0.132CC..SBendtrans-113.2-28.6171.3-63.693.1000111.7L15 V19 M20 F270 V271 R333L15-N307 HydrophobicContact CD2-CB 4.28Å; L15-N307 PolarHBondContact O-ND2 3.34Å; V19-N307 WeakPolarHBondContact CA-O 3.49Å; M20-N307 PolarHBondContact N-O 3Å; F270-N307 WeakPolarHBondContact CA-OD1 3.28Å; F270-N307 HydrophobicContact CB-CB 3.99Å; F270-N307 HydrophobicContact CD1-CB 4.21Å; F270-N307 VanDerWaalsContact CD1-CG 3.47Å; F270-N307 VanDerWaalsContact CD1-ND2 3.34Å; F270-N307 WeakPolarHBondContact CD1-ND2 3.21Å; F270-N307 HydrophobicContact CG-CB 4.44Å; V271-N307 PolarHBondContact N-OD1 3.07Å; V271-N307 PolarHBondContact O-N 2.99Å; N307-R333 PolarHBondContact ND2-O 3.47Å
308I98.6Very high96.3Very high0 Ų026.3 Ų26.30%016%0.155CC..EExtended strand (participates in β ladder)trans-129.2133.3177.5-51.5174.9000108.7L15 M20 L22 I81 F212 V271 I272 C273L15-I308 HydrophobicContact CD2-CD1 3.58Å; L15-I308 HydrophobicContact CD2-CG1 3.31Å; M20-I308 HydrophobicContact CB-CG1 4.34Å; M20-I308 WeakPolarHBondContact O-CA 3.36Å; L22-I308 HydrophobicContact CB-CG2 4.09Å; I81-I308 HydrophobicContact CD1-CD1 4.03Å; I81-I308 HydrophobicContact CD1-CG2 4.46Å; F212-I308 HydrophobicContact CD2-CD1 4.37Å; F212-I308 HydrophobicContact CE2-CD1 3.52Å; F212-I308 HydrophobicContact CZ-CD1 3.86Å; V271-I308 PolarHBondContact O-N 2.9Å; I272-I308 WeakPolarHBondContact CA-O 3.27Å; I272-I308 HydrophobicContact CB-CB 3.96Å; I272-I308 HydrophobicContact CB-CD1 4.35Å; I272-I308 HydrophobicContact CD1-CB 4.06Å; I272-I308 HydrophobicContact CD1-CD1 4.03Å; I272-I308 HydrophobicContact CD1-CG2 3.74Å; I272-I308 HydrophobicContact CG1-CB 3.73Å; I272-I308 HydrophobicContact CG1-CD1 4.43Å; I272-I308 HydrophobicContact CG1-CG2 3.78Å; C273-I308 PolarHBondContact N-O 3.34Å
309V98.4Very high96.3Very high0 Ų022.2 Ų22.20%014%0.137CC..EExtended strand (participates in β ladder)trans-123.9152.3170.2-640000110.7V19 M20 I21 L22 C273 L297 V306 I323 V327V19-V309 HydrophobicContact CG1-CG1 4.31Å; V19-V309 HydrophobicContact CG1-CG2 3.89Å; M20-V309 PolarHBondContact O-N 2.85Å; I21-V309 CarbonylContact C-O 3.59Å; I21-V309 VanDerWaalsContact CA-O 3.32Å; I21-V309 WeakPolarHBondContact CA-O 3.42Å; I21-V309 HydrophobicContact CD1-CG2 3.72Å; L22-V309 PolarHBondContact N-O 3.24Å; C273-V309 VanDerWaalsContact O-CA 3.28Å; C273-V309 WeakPolarHBondContact O-CA 3.49Å; L297-V309 HydrophobicContact CD1-CB 4.42Å; L297-V309 HydrophobicContact CD2-CG1 4.43Å; V306-V309 HydrophobicContact CB-CG1 4.27Å; V306-V309 HydrophobicContact CG2-CG1 3.6Å; V309-I323 HydrophobicContact CB-CG2 4.38Å; V309-I323 HydrophobicContact CG2-CG2 3.54Å; V309-V327 HydrophobicContact CG2-CG1 4.3Å; V309-V327 HydrophobicContact CG2-CG2 4.18Å
310G97.6Very high96.5Very high0 Ų019.2 Ų19.20%012%0.121CC..  trans-169.1-155.4178.200000111.9C273 Y274 L297C273-G310 PolarHBondContact O-N 3.48Å; C273-G310 VanDerWaalsContact O-N 3.16Å; Y274-G310 VanDerWaalsContact CB-C 3.5Å; L297-G310 WeakPolarHBondContact CD1-O 3.45Å
311G95.9Very high96.5Very high0 Ų020.7 Ų20.70%013%0.132CC..  trans-139.4147.3-18000000113.9D23 G24 T315D23-G311 PolarHBondContact O-N 2.91Å; D23-G311 VanDerWaalsContact O-N 3.15Å; G24-G311 CarbonylContact C-O 3.42Å; G24-G311 WeakPolarHBondContact CA-O 3.22Å; G311-T315 WeakPolarHBondContact CA-OG1 3.47Å; G311-T315 PolarHBondContact O-OG1 2.98Å
312C94.2Very high96.6Very high19 Ų1923.6 Ų23.613%0.12815%0.145CC..  trans-106.1-127.8172.9-166.20000110.3G25 C249 Y274 P275 N276 T315G25-C312 VanDerWaalsContact CA-O 3.28Å; G25-C312 WeakPolarHBondContact CA-O 3.24Å; G25-C312 PolarHBondContact N-O 3.47Å; G25-C312 VanDerWaalsContact N-O 3.16Å; C249-C312 HydrophobicContact CB-CB 4.46Å; Y274-C312 HydrophobicContact CD2-CB 4.34Å; Y274-C312 WeakPolarHBondContact O-CB 3.47Å; P275-C312 PolarHBondContact O-N 3.35Å; N276-C312 WeakPolarHBondContact OD1-CB 3.34Å; C312-T315 PolarHBondContact N-OG1 2.81Å; C312-T315 PolarHBondContact O-N 3.06Å; C312-T315 PolarHBondContact O-OG1 3.42Å
313C91Very high96.7Very high43 Ų4319 Ų1929%0.29112%0.118SC..THydrogen-bonded Turntrans-63.6143.6-179-56.50000112.1N276 A277 Y286 T315N276-C313 WeakPolarHBondContact CA-O 3.36Å; N276-C313 WeakPolarHBondContact OD1-CB 3.34Å; N276-C313 PolarHBondContact OD1-N 3.16Å; A277-C313 PolarHBondContact N-O 3.31Å; Y286-C313 HydrophobicContact CE1-CB 4.01Å; Y286-C313 HydrophobicContact CE2-CB 3.62Å; Y286-C313 WeakPolarHBondContact OH-CB 3.46Å; C313-T315 PolarHBondContact O-N 3.17Å
314G91.2Very high96.8Very high10 Ų1018.2 Ų18.210%0.10311%0.11CC..THydrogen-bonded Turntrans81.8-18.7-177.400000115.4T28 Y286T28-G314 PolarHBondContact OG1-N 2.89Å; T28-G314 VanDerWaalsContact OG1-N 3.11Å; Y286-G314 VanDerWaalsContact CG-CA 3.49Å
315T95.9Very high97Very high0 Ų023.9 Ų23.90%012%0.122CC..  trans-81.1148.9-178.267.70000112.8G24 G25 Y74 A277 G311 C312 C313G24-T315 VanDerWaalsContact CA-OG1 3.25Å; G24-T315 WeakPolarHBondContact CA-OG1 3.4Å; G25-T315 PolarHBondContact N-OG1 3.29Å; G25-T315 VanDerWaalsContact N-OG1 3.07Å; Y74-T315 PolarHBondContact OH-O 3.45Å; A277-T315 HydrophobicContact CB-CG2 4.02Å; G311-T315 WeakPolarHBondContact CA-OG1 3.47Å; G311-T315 PolarHBondContact O-OG1 2.98Å; C312-T315 PolarHBondContact N-OG1 2.81Å; C312-T315 PolarHBondContact O-N 3.06Å; C312-T315 PolarHBondContact O-OG1 3.42Å; C313-T315 PolarHBondContact O-N 3.17Å
316T96.7Very high97Very high6 Ų624.3 Ų24.34%0.03713%0.128CC..  trans-140170.7-169.573.10000110.8T28 E318 H319 I320T28-T316 HydrophobicContact CG2-CG2 4.44Å; T316-E318 WeakPolarHBondContact CB-OE2 3.25Å; T316-E318 PolarHBondContact O-N 2.88Å; T316-E318 VanDerWaalsContact O-N 3.12Å; T316-E318 PolarHBondContact OG1-N 3.21Å; T316-E318 PolarHBondContact OG1-OE2 3.06Å; T316-H319 PolarHBondContact N-ND1 2.8Å; T316-H319 WeakPolarHBondContact O-CA 3.23Å; T316-H319 WeakPolarHBondContact O-CB 3.36Å; T316-H319 PolarHBondContact O-N 2.68Å; T316-H319 PolarHBondContact OG1-ND1 3.25Å; T316-I320 PolarHBondContact O-N 3Å
317P98.3Very high96.9Very high17 Ų1724.5 Ų24.511%0.1113%0.129CC..Hα-helixtrans-52.9-32.3173.5-30.137.6000113.9M29 A73 Y74 A77 I320 S321M29-P317 HydrophobicContact CE-CG 4.02Å; M29-P317 VanDerWaalsContact SD-CD 3.59Å; M29-P317 HydrophobicContact SD-CG 4.29Å; A73-P317 HydrophobicContact CB-CG 4.01Å; Y74-P317 HydrophobicContact CD1-CB 4.47Å; Y74-P317 HydrophobicContact CD1-CG 3.99Å; Y74-P317 HydrophobicContact CE1-CG 3.95Å; A77-P317 HydrophobicContact CB-CB 3.91Å; A77-P317 WeakPolarHBondContact CB-O 3.15Å; P317-I320 PolarHBondContact O-N 3.18Å; P317-S321 WeakPolarHBondContact O-CB 3.5Å; P317-S321 PolarHBondContact O-N 3.13Å
318E97.7Very high96.7Very high102 Ų10232 Ų3248%0.47716%0.162SC..Hα-helixtrans-64.8-43.6174.1-61.573.2-154.500112.1P290 T316 S321 E322P290-E318 HydrophobicContact CG-CB 4.06Å; T316-E318 WeakPolarHBondContact CB-OE2 3.25Å; T316-E318 PolarHBondContact O-N 2.88Å; T316-E318 VanDerWaalsContact O-N 3.12Å; T316-E318 PolarHBondContact OG1-N 3.21Å; T316-E318 PolarHBondContact OG1-OE2 3.06Å; E318-S321 PolarHBondContact O-N 3.45Å; E318-E322 PolarHBondContact O-N 3.04Å; E318-E322 VanDerWaalsContact O-N 3.15Å
319H98Very high96.4Very high11 Ų1139.3 Ų39.35%0.05120%0.201CC..Hα-helixtrans-59.5-49.5174-67.279.9000111E288 P290 T316 S321 E322 I323E288-H319 PolarHBondContact O-NE2 3.19Å; E288-H319 VanDerWaalsContact O-NE2 3.15Å; P290-H319 VanDerWaalsContact CA-CD2 3.49Å; P290-H319 WeakPolarHBondContact CA-CD2 3.18Å; T316-H319 PolarHBondContact N-ND1 2.8Å; T316-H319 WeakPolarHBondContact O-CA 3.23Å; T316-H319 WeakPolarHBondContact O-CB 3.36Å; T316-H319 PolarHBondContact O-N 2.68Å; T316-H319 PolarHBondContact OG1-ND1 3.25Å; H319-S321 VanDerWaalsContact C-N 3.3Å; H319-S321 PolarHBondContact O-N 3.5Å; H319-E322 PolarHBondContact O-N 3.22Å; H319-I323 VanDerWaalsContact O-CG1 3.26Å; H319-I323 WeakPolarHBondContact O-CG1 3.4Å; H319-I323 PolarHBondContact O-N 3.28Å
320I98.5Very high96.4Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-59.6-41.5179.3-60.8-50.9000111.1I21 Y74 A77 A79 T316 P317 E322 I323 V324I21-I320 HydrophobicContact CG2-CG2 3.83Å; Y74-I320 HydrophobicContact CD1-CG1 3.82Å; Y74-I320 HydrophobicContact CE1-CG1 3.95Å; A77-I320 HydrophobicContact CB-CB 4.14Å; A77-I320 HydrophobicContact CB-CG2 4.1Å; A79-I320 HydrophobicContact CB-CG2 4.22Å; T316-I320 PolarHBondContact O-N 3Å; P317-I320 PolarHBondContact O-N 3.18Å; I320-E322 PolarHBondContact O-N 3.16Å; I320-I323 HydrophobicContact CD1-CD1 4.28Å; I320-I323 PolarHBondContact O-N 2.85Å; I320-V324 HydrophobicContact CG2-CG2 4.24Å; I320-V324 WeakPolarHBondContact O-CB 3.27Å; I320-V324 WeakPolarHBondContact O-CG2 3.37Å; I320-V324 PolarHBondContact O-N 2.64Å
321S98.3Very high96.3Very high33 Ų3349 Ų4923%0.23125%0.245CC..Hα-helixtrans-63-39.2178.2-170.70000113.4A77 P317 E318 H319 R325A77-S321 WeakPolarHBondContact O-CA 3.28Å; P317-S321 WeakPolarHBondContact O-CB 3.5Å; P317-S321 PolarHBondContact O-N 3.13Å; E318-S321 PolarHBondContact O-N 3.45Å; H319-S321 VanDerWaalsContact C-N 3.3Å; H319-S321 PolarHBondContact O-N 3.5Å; S321-R325 WeakPolarHBondContact O-CG 3.35Å; S321-R325 PolarHBondContact O-N 3.14Å; S321-R325 PolarHBondContact O-NE 2.88Å; S321-R325 PolarHBondContact OG-NH2 3.08Å
322E98.2Very high96.3Very high61 Ų6149.8 Ų49.829%0.28525%0.25SS..Hα-helixtrans-69.6-42.1174.8-67.6-54.7145.900111.5P290 A294 E318 H319 I320 V324 R325 A326P290-E322 HydrophobicContact CB-CB 4.26Å; P290-E322 HydrophobicContact CB-CG 3.7Å; A294-E322 HydrophobicContact CB-CB 3.67Å; E318-E322 PolarHBondContact O-N 3.04Å; E318-E322 VanDerWaalsContact O-N 3.15Å; H319-E322 PolarHBondContact O-N 3.22Å; I320-E322 PolarHBondContact O-N 3.16Å; E322-V324 PolarHBondContact O-N 2.62Å; E322-R325 PolarHBondContact O-N 2.77Å; E322-R325 IonicContact OE1-CZ 3.69Å; E322-R325 IonicContact OE1-NH1 3.17Å; E322-R325 PolarHBondContact OE1-NH1 2.76Å; E322-R325 IonicContact OE1-NH2 3.95Å; E322-R325 PolarHBondContact OE1-NH2 3.48Å; E322-R325 IonicContact OE2-CZ 3.44Å; E322-R325 IonicContact OE2-NH1 3.88Å; E322-R325 PolarHBondContact OE2-NH1 3.45Å; E322-A326 WeakPolarHBondContact O-CB 3.39Å; E322-A326 PolarHBondContact O-N 2.89Å
323I98.2Very high96.5Very high0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-59.4-47.6176.9-65.7163.2000110.3I21 T293 A294 L297 V309 H319 I320 R325 A326 V327I21-I323 HydrophobicContact CD1-CG2 4.21Å; T293-I323 HydrophobicContact CG2-CD1 4.27Å; A294-I323 HydrophobicContact CB-CG1 4.06Å; L297-I323 HydrophobicContact CD1-CD1 3.61Å; L297-I323 HydrophobicContact CD1-CG1 3.94Å; L297-I323 HydrophobicContact CD1-CG2 4.31Å; V309-I323 HydrophobicContact CB-CG2 4.38Å; V309-I323 HydrophobicContact CG2-CG2 3.54Å; H319-I323 VanDerWaalsContact O-CG1 3.26Å; H319-I323 WeakPolarHBondContact O-CG1 3.4Å; H319-I323 PolarHBondContact O-N 3.28Å; I320-I323 HydrophobicContact CD1-CD1 4.28Å; I320-I323 PolarHBondContact O-N 2.85Å; I323-R325 VanDerWaalsContact C-N 3.29Å; I323-R325 PolarHBondContact O-N 3.46Å; I323-A326 PolarHBondContact O-N 3.25Å; I323-A326 VanDerWaalsContact O-N 3.09Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.32Å
324V98.1Very high96.7Very high37 Ų3753.3 Ų53.322%0.22427%0.269CS..Hα-helixtrans-53.5-47.5175.8171.70000110.8I21 I320 E322 A326 K328I21-V324 HydrophobicContact CB-CG2 4.35Å; I21-V324 HydrophobicContact CD1-CG2 4.42Å; I21-V324 HydrophobicContact CG1-CG2 3.83Å; I21-V324 HydrophobicContact CG2-CG2 3.97Å; I320-V324 HydrophobicContact CG2-CG2 4.24Å; I320-V324 WeakPolarHBondContact O-CB 3.27Å; I320-V324 WeakPolarHBondContact O-CG2 3.37Å; I320-V324 PolarHBondContact O-N 2.64Å; E322-V324 PolarHBondContact O-N 2.62Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-A326 PolarHBondContact O-N 3.48Å; V324-K328 WeakPolarHBondContact O-CB 3.43Å; V324-K328 PolarHBondContact O-N 2.73Å; V324-K328 VanDerWaalsContact O-N 3.12Å
325R98Very high96.7Very high148 Ų14854.5 Ų54.556%0.55828%0.275SS*.Hα-helixtrans-65.1-38.3179.2-76.9-177.4-109.8146.2-0.4112.2S321 E322 I323S321-R325 WeakPolarHBondContact O-CG 3.35Å; S321-R325 PolarHBondContact O-N 3.14Å; S321-R325 PolarHBondContact O-NE 2.88Å; S321-R325 PolarHBondContact OG-NH2 3.08Å; E322-R325 PolarHBondContact O-N 2.77Å; E322-R325 IonicContact OE1-CZ 3.69Å; E322-R325 IonicContact OE1-NH1 3.17Å; E322-R325 PolarHBondContact OE1-NH1 2.76Å; E322-R325 IonicContact OE1-NH2 3.95Å; E322-R325 PolarHBondContact OE1-NH2 3.48Å; E322-R325 IonicContact OE2-CZ 3.44Å; E322-R325 IonicContact OE2-NH1 3.88Å; E322-R325 PolarHBondContact OE2-NH1 3.45Å; I323-R325 VanDerWaalsContact C-N 3.29Å; I323-R325 PolarHBondContact O-N 3.46Å
326A97.4Very high96.4Very high24 Ų2456.9 Ų56.920%0.19829%0.29CS..Hα-helixtrans-70.1-35.3-177.200000113.2A294 K298 E322 I323 V324A294-A326 HydrophobicContact CB-CB 4.05Å; K298-A326 HydrophobicContact CB-CB 4.04Å; K298-A326 HydrophobicContact CD-CB 4.22Å; K298-A326 HydrophobicContact CG-CB 4.44Å; E322-A326 WeakPolarHBondContact O-CB 3.39Å; E322-A326 PolarHBondContact O-N 2.89Å; I323-A326 PolarHBondContact O-N 3.25Å; I323-A326 VanDerWaalsContact O-N 3.09Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-A326 PolarHBondContact O-N 3.48Å
327V97.2Very high95.8Very high4 Ų462.1 Ų62.12%0.02433%0.327CS..Hα-helixtrans-105-6.2-174.5-50.70000115.7V19 I21 A301 V309 I323 N329 V330V19-V327 HydrophobicContact CB-CG2 4.31Å; V19-V327 HydrophobicContact CG1-CB 4.41Å; V19-V327 HydrophobicContact CG1-CG2 4.07Å; I21-V327 HydrophobicContact CD1-CG2 3.5Å; A301-V327 HydrophobicContact CB-CB 4.42Å; A301-V327 HydrophobicContact CB-CG1 4Å; V309-V327 HydrophobicContact CG2-CG1 4.3Å; V309-V327 HydrophobicContact CG2-CG2 4.18Å; I323-V327 WeakPolarHBondContact O-CG2 3.45Å; I323-V327 PolarHBondContact O-N 3.32Å; V327-N329 PolarHBondContact O-N 2.82Å; V327-V330 PolarHBondContact O-N 2.86Å
328K93.8Very high95Very high158 Ų15869.1 Ų69.169%0.68735%0.351SS*.THydrogen-bonded Turntrans-45.7-35.5-172.8-175.2173.9178.7176.70116.3V324V324-K328 WeakPolarHBondContact O-CB 3.43Å; V324-K328 PolarHBondContact O-N 2.73Å; V324-K328 VanDerWaalsContact O-N 3.12Å
329N92.9Very high94.6Very high152 Ų15266.2 Ų66.281%0.81334%0.34SS*.THydrogen-bonded Turntrans-113.814.3-175.7-62.5-33.3000113.3V327V327-N329 PolarHBondContact O-N 2.82Å
330V96.9Very high94.2Very high27 Ų2767 Ų6716%0.16434%0.343CS..PPolyproline II helixtrans-91.7135.5-179.1-173.90000109.4A301 V302 V327A301-V330 HydrophobicContact CB-CB 4.19Å; A301-V330 HydrophobicContact CB-CG1 3.7Å; A301-V330 VanDerWaalsContact O-CG1 3.31Å; A301-V330 WeakPolarHBondContact O-CG1 3.41Å; V302-V330 HydrophobicContact CG2-CG1 4.06Å; V302-V330 HydrophobicContact CG2-CG2 4.02Å; V327-V330 PolarHBondContact O-N 2.86Å
331K95.4Very high93.7Very high178 Ų17872.5 Ų72.577%0.77437%0.369SS*.PPolyproline II helixtrans-71.5139.2176.4-69.5-174178.1-177.90109.8
332P97.2Very high93.2Very high15 Ų1573.3 Ų73.310%0.09738%0.382CS..PPolyproline II helixtrans-73.4162.3178.233.2-35000111.1V19V19-P332 HydrophobicContact CG2-CB 4.15Å
333R97.1Very high93Very high8 Ų874 Ų743%0.0338%0.383CS..PPolyproline II helixtrans-55.1137.1169.6173.9174.5171.8-824.2111.4S264 T267 A269 G304 L305 V306 N307 P335S264-R333 PolarHBondContact O-NE 2.95Å; S264-R333 PolarHBondContact O-NH2 3.18Å; S264-R333 VanDerWaalsContact OG-CD 3.26Å; S264-R333 WeakPolarHBondContact OG-CD 3.49Å; S264-R333 PolarHBondContact OG-NE 3.29Å; T267-R333 PolarHBondContact O-NH2 2.95Å; A269-R333 PolarHBondContact O-NH1 3.46Å; G304-R333 WeakPolarHBondContact O-CB 3.48Å; G304-R333 VanDerWaalsContact O-CG 3.23Å; G304-R333 WeakPolarHBondContact O-CG 3.49Å; L305-R333 WeakPolarHBondContact O-CD 3.45Å; V306-R333 WeakPolarHBondContact O-CB 3.35Å; V306-R333 PolarHBondContact O-N 3.16Å; N307-R333 PolarHBondContact ND2-O 3.47Å; R333-P335 WeakPolarHBondContact O-CD 3.23Å
334V95Very high92.9Very high129 Ų12974 Ų7478%0.78238%0.383SS*.  trans-94.8113.3168.9-178.50000108.6
335P92.3Very high92.9Very high35 Ų3572.4 Ų72.423%0.22737%0.373CS..  trans-61.9137.2178.9-20.932000111.9S268 F270 R333S268-P335 VanDerWaalsContact O-CB 3.25Å; S268-P335 WeakPolarHBondContact O-CB 3.37Å; F270-P335 HydrophobicContact CD1-CG 3.64Å; F270-P335 HydrophobicContact CE1-CG 3.82Å; R333-P335 WeakPolarHBondContact O-CD 3.23Å
336P89.7Confident92.9Very high49 Ų4965.3 Ų65.332%0.31835%0.346SS..  trans-64.7138.6172.728.7-33.5000109.5T267 S268 R338 V339T267-P336 WeakPolarHBondContact O-CD 3.41Å; T267-P336 WeakPolarHBondContact O-CG 3.38Å; S268-P336 WeakPolarHBondContact CB-O 3.31Å; P336-R338 VanDerWaalsContact C-N 3.29Å; P336-R338 PolarHBondContact O-N 3.17Å; P336-V339 HydrophobicContact CB-CG2 4.46Å; P336-V339 HydrophobicContact CG-CG2 3.65Å
337S82.7Confident93Very high117 Ų11764.2 Ų64.282%0.81834%0.337SS*.SBendtrans-65.4-32-177.555.40000112.8
338R82.9Confident93Very high164 Ų16464 Ų6462%0.61934%0.336SS*.  trans-149.6111.6-179.7-54.5178176.3170.21.7110.8P336 E341P336-R338 VanDerWaalsContact C-N 3.29Å; P336-R338 PolarHBondContact O-N 3.17Å; R338-E341 HydrophobicContact CB-CB 3.9Å; R338-E341 WeakPolarHBondContact CD-OE1 3.33Å; R338-E341 WeakPolarHBondContact CD-OE2 3.41Å; R338-E341 IonicContact CZ-OE1 3.75Å; R338-E341 IonicContact NE-OE1 3.1Å; R338-E341 IonicContact NH1-OE1 2.81Å; R338-E341 PolarHBondContact NH1-OE1 3.35Å; R338-E341 IonicContact NH1-OE2 4Å
339V87.9Confident93.2Very high41 Ų4156.9 Ų56.925%0.24831%0.305CS..SBendtrans-83.7-45.3-179.2178.60000112.2T267 P336T267-V339 VanDerWaalsContact C-CG2 3.44Å; P336-V339 HydrophobicContact CB-CG2 4.46Å; P336-V339 HydrophobicContact CG-CG2 3.65Å
340Y90.8Very high93.4Very high26 Ų2653.6 Ų53.610%0.10229%0.285CS..SBendtrans-114.536.3-173.2-56.8-65.9000111.7I235 N266 G342 Y343 V345I235-Y340 HydrophobicContact CG1-CE2 4.41Å; N266-Y340 WeakPolarHBondContact CB-OH 3.28Å; N266-Y340 PolarHBondContact O-OH 3.3Å; Y340-G342 PolarHBondContact O-N 2.92Å; Y340-Y343 PolarHBondContact O-N 2.93Å; Y340-V345 HydrophobicContact CD1-CG1 3.62Å; Y340-V345 HydrophobicContact CD2-CG1 4.23Å; Y340-V345 HydrophobicContact CD2-CG2 4.38Å; Y340-V345 HydrophobicContact CE1-CG1 4.17Å; Y340-V345 HydrophobicContact CG-CG1 3.65Å
341E87.9Confident93.4Very high117 Ų11754.6 Ų54.655%0.54729%0.292SS..THydrogen-bonded Turntrans-58.7125.2-178.5-172.9167-162.900111.5R338 Y343R338-E341 HydrophobicContact CB-CB 3.9Å; R338-E341 WeakPolarHBondContact CD-OE1 3.33Å; R338-E341 WeakPolarHBondContact CD-OE2 3.41Å; R338-E341 IonicContact CZ-OE1 3.75Å; R338-E341 IonicContact NE-OE1 3.1Å; R338-E341 IonicContact NH1-OE1 2.81Å; R338-E341 PolarHBondContact NH1-OE1 3.35Å; R338-E341 IonicContact NH1-OE2 4Å; E341-Y343 VanDerWaalsContact C-N 3.25Å; E341-Y343 WeakPolarHBondContact O-CD2 3.49Å; E341-Y343 PolarHBondContact O-N 3Å
342G87.2Confident93.5Very high49 Ų4947.4 Ų47.451%0.50526%0.261SS..THydrogen-bonded Turntrans77.25.8-17900000114.8Y340 R561Y340-G342 PolarHBondContact O-N 2.92Å; G342-R561 PolarHBondContact O-NH2 3.31Å
343Y94.6Very high93.4Very high76 Ų7652.1 Ų52.130%0.29828%0.277SS..  trans-109.7138.4176.5-66.8-95.1000111.6Y340 E341 R353 I354 G355 S521Y340-Y343 PolarHBondContact O-N 2.93Å; E341-Y343 VanDerWaalsContact C-N 3.25Å; E341-Y343 WeakPolarHBondContact O-CD2 3.49Å; E341-Y343 PolarHBondContact O-N 3Å; Y343-R353 HydrophobicContact CD1-CB 3.88Å; Y343-R353 HydrophobicContact CE1-CB 4.46Å; Y343-I354 CarbonylContact C-O 3.59Å; Y343-I354 VanDerWaalsContact CA-O 3.3Å; Y343-I354 WeakPolarHBondContact CA-O 3.35Å; Y343-G355 VanDerWaalsContact CD1-CA 3.49Å; Y343-S521 WeakPolarHBondContact O-CB 3.09Å
344T96.9Very high93.3Very high0 Ų051.8 Ų51.80%028%0.276CS..EExtended strand (participates in β ladder)trans-84.8123.3157.2-63.20000106.9L346 I354 S521 R561T344-L346 HydrophobicContact CG2-CG 4.36Å; T344-I354 PolarHBondContact N-O 2.65Å; T344-I354 PolarHBondContact O-N 3.32Å; T344-S521 WeakPolarHBondContact CB-O 3.49Å; T344-S521 WeakPolarHBondContact CG2-O 3.44Å; T344-S521 PolarHBondContact OG1-O 3.18Å; T344-R561 VanDerWaalsContact OG1-CG 3.23Å; T344-R561 WeakPolarHBondContact OG1-CG 3.3Å; T344-R561 PolarHBondContact OG1-NE 2.99Å; T344-R561 VanDerWaalsContact OG1-NE 3.12Å
345V97.5Very high93.1Very high3 Ų345.9 Ų45.92%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-112.1126.4-179.5-67.90000110.4I235 Y340 M352 R353 K455I235-V345 HydrophobicContact CD1-CB 4.14Å; I235-V345 HydrophobicContact CG1-CB 4.22Å; I235-V345 HydrophobicContact CG1-CG2 4.45Å; I235-V345 HydrophobicContact CG2-CB 4.08Å; I235-V345 HydrophobicContact CG2-CG2 4.13Å; Y340-V345 HydrophobicContact CD1-CG1 3.62Å; Y340-V345 HydrophobicContact CD2-CG1 4.23Å; Y340-V345 HydrophobicContact CD2-CG2 4.38Å; Y340-V345 HydrophobicContact CE1-CG1 4.17Å; Y340-V345 HydrophobicContact CG-CG1 3.65Å; V345-M352 WeakPolarHBondContact CA-O 3.42Å; V345-R353 HydrophobicContact CG1-CG 4.32Å; V345-K455 VanDerWaalsContact O-CD 3.29Å; V345-K455 WeakPolarHBondContact O-CD 3.3Å; V345-K455 WeakPolarHBondContact O-CE 3.34Å; V345-K455 PolarHBondContact O-NZ 3.5Å
346L98.5Very high92.6Very high0 Ų049.5 Ų49.50%027%0.265CS..EExtended strand (participates in β ladder)trans-127.4168.9176.9-58.4172.9000108.3T344 M352 I354 I401 P434 K455 I457 A483T344-L346 HydrophobicContact CG2-CG 4.36Å; L346-M352 HydrophobicContact CB-CB 4.35Å; L346-M352 PolarHBondContact N-O 3.41Å; L346-M352 PolarHBondContact O-N 3.08Å; L346-I354 HydrophobicContact CD1-CD1 4.08Å; L346-I401 HydrophobicContact CD1-CD1 3.72Å; L346-P434 HydrophobicContact CB-CB 3.91Å; L346-P434 HydrophobicContact CB-CG 3.59Å; L346-P434 HydrophobicContact CD1-CB 4.43Å; L346-P434 HydrophobicContact CD1-CG 4.49Å; L346-K455 HydrophobicContact CD2-CG 4.27Å; L346-I457 HydrophobicContact CD1-CD1 3.7Å; L346-I457 HydrophobicContact CD1-CG1 3.91Å; L346-I457 HydrophobicContact CD2-CG1 3.92Å; L346-A483 HydrophobicContact CD2-CB 3.91Å
347S98.4Very high92.2Very high0 Ų053.2 Ų53.20%029%0.286CS..EExtended strand (participates in β ladder)trans-153.5143174.855.50000112.3A232 S236 E350 G454 K455A232-S347 PolarHBondContact O-OG 3.06Å; S236-S347 PolarHBondContact OG-OG 2.9Å; S347-E350 WeakPolarHBondContact CA-O 3.29Å; S347-G454 CarbonylContact O-C 3.47Å; S347-G454 WeakPolarHBondContact O-CA 3.3Å; S347-K455 PolarHBondContact N-O 3.1Å; S347-K455 PolarHBondContact O-N 3.04Å; S347-K455 PolarHBondContact OG-N 3.18Å
348G97.8Very high92.4Very high0 Ų049.7 Ų49.70%026%0.26CS..SBendtrans-99-127.5152.600000108.8Q228 E350 A431 K432Q228-G348 PolarHBondContact NE2-O 3.46Å; G348-E350 PolarHBondContact N-O 2.93Å; G348-E350 PolarHBondContact O-N 3.24Å; G348-A431 CarbonylContact C-O 3.58Å; G348-A431 WeakPolarHBondContact CA-O 3.47Å; G348-K432 WeakPolarHBondContact CA-O 3.21Å
349L97.4Very high92.3Very high8 Ų848 Ų484%0.04226%0.263CS..SBendtrans-69.1-20161.4-57-177.3000112R223 Q228 S229 A232 P428 A431 Q453R223-L349 PolarHBondContact NH1-O 3.32Å; Q228-L349 HydrophobicContact CB-CD2 4.32Å; S229-L349 PolarHBondContact N-O 3.34Å; S229-L349 PolarHBondContact OG-O 2.97Å; A232-L349 WeakPolarHBondContact CB-O 3.26Å; L349-P428 HydrophobicContact CD1-CB 3.96Å; L349-A431 HydrophobicContact CD1-CB 4.05Å; L349-A431 HydrophobicContact CG-CB 3.95Å; L349-A431 PolarHBondContact N-O 2.98Å; L349-Q453 HydrophobicContact CD2-CG 4.35Å
350E97.6Very high92.5Very high84 Ų8447.2 Ų47.239%0.39326%0.257SS..SBendtrans-119.2150.8-179.9-59.4-167.816500111.3R223 S347 G348 K432R223-E350 IonicContact CZ-OE1 3.03Å; R223-E350 IonicContact NH2-OE1 2.86Å; R223-E350 PolarHBondContact NH2-OE1 3.47Å; S347-E350 WeakPolarHBondContact CA-O 3.29Å; G348-E350 PolarHBondContact N-O 2.93Å; G348-E350 PolarHBondContact O-N 3.24Å; E350-K432 HydrophobicContact CG-CB 4.19Å; E350-K432 PolarHBondContact N-O 3.04Å
351P97.1Very high92.7Very high47 Ų4746 Ų4631%0.30525%0.252SS..EExtended strand (participates in β ladder)trans-75.1144.2179.832.9-36.2000110.2S229 E231 I235S229-P351 WeakPolarHBondContact OG-CD 3.45Å; E231-P351 HydrophobicContact CB-CB 4.17Å; E231-P351 HydrophobicContact CB-CG 4.11Å; E231-P351 HydrophobicContact CG-CB 3.84Å; E231-P351 HydrophobicContact CG-CG 4.16Å; E231-P351 WeakPolarHBondContact OE1-CB 3.21Å; I235-P351 HydrophobicContact CD1-CB 3.61Å
352M97Very high93Very high27 Ų2742 Ų4213%0.13323%0.234CC..EExtended strand (participates in β ladder)trans-127.2122.5172.5-176.4-178.5-174.200109.6V345 L346 I354 V361 Q400 I401 P434V345-M352 WeakPolarHBondContact CA-O 3.42Å; L346-M352 HydrophobicContact CB-CB 4.35Å; L346-M352 PolarHBondContact N-O 3.41Å; L346-M352 PolarHBondContact O-N 3.08Å; M352-I354 HydrophobicContact CE-CD1 3.96Å; M352-I354 HydrophobicContact CE-CG1 3.95Å; M352-I354 HydrophobicContact CG-CG1 4.36Å; M352-I354 HydrophobicContact SD-CD1 4.48Å; M352-V361 HydrophobicContact CE-CB 4.32Å; M352-V361 HydrophobicContact CE-CG1 3.44Å; M352-V361 VanDerWaalsContact CE-CG1 3.44Å; M352-V361 HydrophobicContact CE-CG2 3.87Å; M352-Q400 HydrophobicContact CE-CB 3.57Å; M352-Q400 HydrophobicContact SD-CB 4.38Å; M352-I401 HydrophobicContact CE-CD1 4.12Å; M352-I401 HydrophobicContact CE-CG1 3.95Å; M352-I401 HydrophobicContact SD-CD1 4.07Å; M352-I401 HydrophobicContact SD-CG1 3.72Å; M352-P434 HydrophobicContact CB-CG 3.97Å; M352-P434 HydrophobicContact SD-CG 3.83Å
353R95.4Very high93.5Very high114 Ų11439.8 Ų39.843%0.4321%0.211SC..EExtended strand (participates in β ladder)trans-114.1120.9179-53.4178.4-172.4179.80.3109.1E231 N266 Y343 V345E231-R353 IonicContact OE1-CZ 3.11Å; E231-R353 IonicContact OE1-NE 2.65Å; E231-R353 PolarHBondContact OE1-NE 2.75Å; E231-R353 IonicContact OE1-NH2 2.62Å; E231-R353 PolarHBondContact OE1-NH2 2.9Å; E231-R353 IonicContact OE2-CZ 2.75Å; E231-R353 IonicContact OE2-NH2 3.4Å; E231-R353 PolarHBondContact OE2-NH2 3.38Å; N266-R353 PolarHBondContact OD1-NH2 2.93Å; Y343-R353 HydrophobicContact CD1-CB 3.88Å; Y343-R353 HydrophobicContact CE1-CB 4.46Å; V345-R353 HydrophobicContact CG1-CG 4.32Å
354I95.5Very high93.5Very high2 Ų236.1 Ų36.11%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-110.5109.7177.6-53.9172.2000107.5Y343 T344 L346 M352 T358 V361 I401 R561 M598Y343-I354 CarbonylContact C-O 3.59Å; Y343-I354 VanDerWaalsContact CA-O 3.3Å; Y343-I354 WeakPolarHBondContact CA-O 3.35Å; T344-I354 PolarHBondContact N-O 2.65Å; T344-I354 PolarHBondContact O-N 3.32Å; L346-I354 HydrophobicContact CD1-CD1 4.08Å; M352-I354 HydrophobicContact CE-CD1 3.96Å; M352-I354 HydrophobicContact CE-CG1 3.95Å; M352-I354 HydrophobicContact CG-CG1 4.36Å; M352-I354 HydrophobicContact SD-CD1 4.48Å; I354-T358 HydrophobicContact CG2-CG2 4.15Å; I354-V361 HydrophobicContact CD1-CG2 4.07Å; I354-V361 HydrophobicContact CG1-CG2 4.07Å; I354-V361 HydrophobicContact CG2-CG2 4.22Å; I354-I401 HydrophobicContact CD1-CD1 4.49Å; I354-R561 PolarHBondContact O-NH2 3.03Å; I354-M598 HydrophobicContact CD1-CE 3.77Å
355G90.6Very high93.4Very high4 Ų437.7 Ų37.74%0.04120%0.204CC..SBendtrans-144.6-164-173.200000113.4Y343 T357 T358Y343-G355 VanDerWaalsContact CD1-CA 3.49Å; G355-T357 PolarHBondContact O-N 3.04Å; G355-T357 VanDerWaalsContact O-N 3.16Å; G355-T358 PolarHBondContact N-OG1 3.3Å; G355-T358 WeakPolarHBondContact O-CB 3.47Å; G355-T358 PolarHBondContact O-N 2.95Å; G355-T358 PolarHBondContact O-OG1 3.3Å
356P81.2Confident93.3Very high112 Ų11242 Ų4273%0.72722%0.22SC*.THydrogen-bonded Turntrans-61.2-24.7-173.7-25.335.1000115.4
357T81.3Confident93.1Very high126 Ų12642 Ų4277%0.77322%0.22SC*.THydrogen-bonded Turntrans-91.7-5.3177.457.50000113G355G355-T357 PolarHBondContact O-N 3.04Å; G355-T357 VanDerWaalsContact O-N 3.16Å
358T87.1Confident92.9Very high44 Ų4443.1 Ų43.127%0.2723%0.226SC..  trans-84.9113.2175.5-48.60000108.2I354 G355 V361I354-T358 HydrophobicContact CG2-CG2 4.15Å; G355-T358 PolarHBondContact N-OG1 3.3Å; G355-T358 WeakPolarHBondContact O-CB 3.47Å; G355-T358 PolarHBondContact O-N 2.95Å; G355-T358 PolarHBondContact O-OG1 3.3Å; T358-V361 HydrophobicContact CG2-CG2 3.65Å
359N81.2Confident92.5Very high127 Ų12743.4 Ų43.468%0.67923%0.227SC*.  trans-70.2-66.1-178.8-174.321.9000112
360F90.8Very high91.8Very high26 Ų2646.7 Ų46.711%0.11426%0.255CS..  trans-147.3143178.8-178.1-104.1000110.3N362 L588 I592 L596 G599F360-N362 WeakPolarHBondContact CD1-OD1 3.48Å; F360-N362 VanDerWaalsContact CE1-OD1 3.31Å; F360-N362 WeakPolarHBondContact CE1-OD1 3.27Å; F360-L588 HydrophobicContact CE1-CD2 4.19Å; F360-L588 HydrophobicContact CE2-CD2 3.9Å; F360-L588 HydrophobicContact CZ-CD2 3.55Å; F360-I592 HydrophobicContact CB-CD1 3.8Å; F360-I592 HydrophobicContact CB-CG1 4.23Å; F360-I592 HydrophobicContact CD1-CD1 4.35Å; F360-I592 HydrophobicContact CD2-CD1 3.78Å; F360-I592 HydrophobicContact CD2-CG1 3.64Å; F360-I592 HydrophobicContact CE2-CD1 4.41Å; F360-I592 HydrophobicContact CE2-CG1 4.23Å; F360-I592 HydrophobicContact CG-CD1 3.72Å; F360-I592 HydrophobicContact CG-CG1 4.09Å; F360-L596 HydrophobicContact CE2-CD2 3.77Å; F360-L596 HydrophobicContact CE2-CG 4.02Å; F360-G599 VanDerWaalsContact CZ-N 3.27Å
361V94.9Very high91Very high0 Ų045.6 Ų45.60%027%0.267CS..EExtended strand (participates in β ladder)trans-109.5121.5179.4172.50000110.4M352 I354 T358 Q400 I401 D597 M598 G599M352-V361 HydrophobicContact CE-CB 4.32Å; M352-V361 HydrophobicContact CE-CG1 3.44Å; M352-V361 VanDerWaalsContact CE-CG1 3.44Å; M352-V361 HydrophobicContact CE-CG2 3.87Å; I354-V361 HydrophobicContact CD1-CG2 4.07Å; I354-V361 HydrophobicContact CG1-CG2 4.07Å; I354-V361 HydrophobicContact CG2-CG2 4.22Å; T358-V361 HydrophobicContact CG2-CG2 3.65Å; V361-Q400 HydrophobicContact CG1-CB 4.25Å; V361-I401 HydrophobicContact CG1-CD1 3.77Å; V361-I401 HydrophobicContact CG1-CG1 4.04Å; V361-D597 PolarHBondContact N-O 3.38Å; V361-M598 HydrophobicContact CB-CB 3.71Å; V361-M598 HydrophobicContact CG1-CB 4.2Å; V361-M598 VanDerWaalsContact O-CA 3.26Å; V361-M598 WeakPolarHBondContact O-CA 3.43Å; V361-M598 WeakPolarHBondContact O-CB 3.23Å; V361-G599 PolarHBondContact O-N 3.14Å
362N95.1Very high90.5Very high34 Ų3443.7 Ų43.718%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-82.8118.6175.9-60.2-46.3000110.2F360 Q400 I401 V601 A603F360-N362 WeakPolarHBondContact CD1-OD1 3.48Å; F360-N362 VanDerWaalsContact CE1-OD1 3.31Å; F360-N362 WeakPolarHBondContact CE1-OD1 3.27Å; N362-Q400 VanDerWaalsContact CB-OE1 3.32Å; N362-Q400 PolarHBondContact O-N 3.03Å; N362-I401 PolarHBondContact O-N 3.04Å; N362-V601 HydrophobicContact CB-CG2 3.87Å; N362-A603 HydrophobicContact CB-CB 4.44Å
363I97.4Very high89.9Confident1 Ų147.6 Ų47.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-97.3118.5168.5-47.5178.6000107.7E365 I401 D403 C436 M598 G599 I600 V601I363-E365 PolarHBondContact O-N 3.35Å; I363-I401 CarbonylContact C-O 3.58Å; I363-I401 VanDerWaalsContact CA-O 3.32Å; I363-I401 WeakPolarHBondContact CA-O 2.85Å; I363-I401 HydrophobicContact CB-CB 4.4Å; I363-I401 HydrophobicContact CG1-CB 4.11Å; I363-I401 HydrophobicContact CG1-CD1 4.38Å; I363-I401 HydrophobicContact CG1-CG2 4.45Å; I363-I401 HydrophobicContact CG2-CB 4.14Å; I363-I401 HydrophobicContact CG2-CG2 3.97Å; I363-D403 HydrophobicContact CG2-CB 3.83Å; I363-C436 HydrophobicContact CG2-CB 4.16Å; I363-M598 HydrophobicContact CD1-CB 4.35Å; I363-M598 HydrophobicContact CD1-CG 4.05Å; I363-M598 HydrophobicContact CD1-SD 4.05Å; I363-M598 HydrophobicContact CG1-CB 4.5Å; I363-G599 WeakPolarHBondContact CB-O 3.33Å; I363-G599 PolarHBondContact N-O 3.21Å; I363-I600 HydrophobicContact CB-CG1 4.03Å; I363-I600 HydrophobicContact CD1-CG1 4.17Å; I363-I600 HydrophobicContact CG2-CG1 4.08Å; I363-I600 CarbonylContact O-C 3.59Å; I363-I600 WeakPolarHBondContact O-CA 3.34Å; I363-V601 PolarHBondContact O-N 3.15Å; I363-V601 VanDerWaalsContact O-O 3.11Å
364G95.7Very high89.6Confident0 Ų049 Ų490%029%0.293CS..EExtended strand (participates in β ladder)trans-68.6119.6-176.500000113Q394 I401 D403G364-Q394 PolarHBondContact O-OE1 3.46Å; G364-I401 PolarHBondContact N-O 3.25Å; G364-D403 WeakPolarHBondContact O-CB 3.37Å; G364-D403 PolarHBondContact O-N 3.44Å
365E94.4Very high89.5Confident33 Ų3348.9 Ų48.915%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-84.8-10.8-173.475.1177.8-174.500116.3I363 C367 N368 S567 I600 V601 N602I363-E365 PolarHBondContact O-N 3.35Å; E365-C367 PolarHBondContact O-N 3.47Å; E365-N368 WeakPolarHBondContact O-CB 3.4Å; E365-S567 WeakPolarHBondContact OE2-CB 3.1Å; E365-S567 PolarHBondContact OE2-OG 3.45Å; E365-I600 HydrophobicContact CB-CG2 3.48Å; E365-I600 VanDerWaalsContact CB-CG2 3.48Å; E365-V601 WeakPolarHBondContact CG-O 3.33Å; E365-V601 PolarHBondContact N-O 2.85Å; E365-N602 HydrophobicContact CG-CB 4.35Å; E365-N602 WeakPolarHBondContact OE1-CB 3.17Å
366R94Very high89.5Confident94 Ų9448.8 Ų48.836%0.35529%0.292SS..EExtended strand (participates in β ladder)trans-81.7-11-164.5-58.9-66-164.2160.9-1.1114.5N368 S372 F375 V390 Q394 N602R366-N368 PolarHBondContact O-N 3.35Å; R366-S372 WeakPolarHBondContact O-CB 3.39Å; R366-S372 PolarHBondContact O-OG 2.94Å; R366-S372 VanDerWaalsContact O-OG 3.08Å; R366-F375 VanDerWaalsContact O-CB 3.28Å; R366-F375 WeakPolarHBondContact O-CB 3.35Å; R366-V390 HydrophobicContact CB-CG1 3.68Å; R366-Q394 VanDerWaalsContact CB-CD 3.46Å; R366-Q394 HydrophobicContact CB-CG 4.13Å; R366-Q394 HydrophobicContact CG-CG 4.28Å; R366-N602 PolarHBondContact NE-OD1 3.06Å; R366-N602 PolarHBondContact NH2-ND2 3.24Å
367C96Very high89.8Confident0 Ų044.7 Ų44.70%027%0.27CS..EExtended strand (participates in β ladder)trans-89.740.2175-74.50000112.1E365 F375 A391 Q394 D403 I404 N405 F420E365-C367 PolarHBondContact O-N 3.47Å; C367-F375 VanDerWaalsContact C-CE1 3.43Å; C367-F375 HydrophobicContact CB-CE1 4.49Å; C367-F375 HydrophobicContact CB-CE2 4.07Å; C367-F375 HydrophobicContact CB-CZ 4.03Å; C367-F375 WeakPolarHBondContact O-CE1 3.23Å; C367-A391 VanDerWaalsContact SG-CA 3.57Å; C367-Q394 PolarHBondContact SG-NE2 3.03Å; C367-Q394 VanDerWaalsContact SG-NE2 3.37Å; C367-D403 WeakPolarHBondContact CB-O 3.37Å; C367-I404 HydrophobicContact CB-CD1 3.68Å; C367-N405 PolarHBondContact O-N 3.46Å; C367-F420 HydrophobicContact CB-CE1 4.36Å
368N93Very high90.3Very high23 Ų2340.3 Ų40.312%0.12324%0.241CC..EExtended strand (participates in β ladder)trans-123.6117.3-175.7-174.1-49.2000110E365 R366 A370 G371 S372 N405E365-N368 WeakPolarHBondContact O-CB 3.4Å; R366-N368 PolarHBondContact O-N 3.35Å; N368-A370 VanDerWaalsContact C-N 3.3Å; N368-A370 PolarHBondContact O-N 3.17Å; N368-A370 WeakPolarHBondContact OD1-CA 3.23Å; N368-A370 WeakPolarHBondContact OD1-CB 3.47Å; N368-A370 PolarHBondContact OD1-N 3.06Å; N368-G371 PolarHBondContact O-N 3Å; N368-G371 PolarHBondContact OD1-N 3.49Å; N368-S372 VanDerWaalsContact O-CB 3.3Å; N368-S372 WeakPolarHBondContact O-CB 3.38Å; N368-S372 PolarHBondContact O-N 2.88Å; N368-N405 HydrophobicContact CB-CB 4.08Å; N368-N405 VanDerWaalsContact ND2-CB 3.34Å; N368-N405 WeakPolarHBondContact ND2-CB 3.32Å
369V90.5Very high90.5Very high5 Ų538.3 Ų38.33%0.0323%0.229CC..THydrogen-bonded Turntrans-65.7-32.7-178.1176.70000112.1F375 A376 V379 N405 M406 D408 L411V369-F375 HydrophobicContact CG2-CD1 3.93Å; V369-F375 HydrophobicContact CG2-CE1 3.84Å; V369-A376 HydrophobicContact CG1-CB 3.85Å; V369-A376 VanDerWaalsContact O-CB 3.29Å; V369-A376 WeakPolarHBondContact O-CB 3.44Å; V369-V379 HydrophobicContact CG2-CB 4.38Å; V369-V379 HydrophobicContact CG2-CG1 4.4Å; V369-V379 HydrophobicContact CG2-CG2 4.37Å; V369-N405 PolarHBondContact N-O 2.88Å; V369-M406 HydrophobicContact CG2-SD 3.94Å; V369-D408 HydrophobicContact CG1-CB 3.72Å; V369-L411 HydrophobicContact CG1-CD1 3.98Å; V369-L411 HydrophobicContact CG2-CD1 4.06Å
370A82Confident90.8Very high77 Ų7738.9 Ų38.964%0.63622%0.222SC*.THydrogen-bonded Turntrans-75.6-34176.900000112.7N368N368-A370 VanDerWaalsContact C-N 3.3Å; N368-A370 PolarHBondContact O-N 3.17Å; N368-A370 WeakPolarHBondContact OD1-CA 3.23Å; N368-A370 WeakPolarHBondContact OD1-CB 3.47Å; N368-A370 PolarHBondContact OD1-N 3.06Å
371G80.6Confident90.7Very high61 Ų6145.2 Ų45.263%0.62925%0.249SC*.THydrogen-bonded Turntrans-95.7-25.9-173.900000116.1N368N368-G371 PolarHBondContact O-N 3Å; N368-G371 PolarHBondContact OD1-N 3.49Å
372S87.3Confident90.4Very high7 Ų747.4 Ų47.45%0.04927%0.271CS..  trans-120.5101.3-171.1177.70000111.6R366 N368 K374 F375 A376R366-S372 WeakPolarHBondContact O-CB 3.39Å; R366-S372 PolarHBondContact O-OG 2.94Å; R366-S372 VanDerWaalsContact O-OG 3.08Å; N368-S372 VanDerWaalsContact O-CB 3.3Å; N368-S372 WeakPolarHBondContact O-CB 3.38Å; N368-S372 PolarHBondContact O-N 2.88Å; S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 2.83Å; S372-F375 PolarHBondContact O-N 3.26Å; S372-F375 VanDerWaalsContact O-N 3.14Å; S372-F375 WeakPolarHBondContact OG-CB 3.44Å; S372-F375 PolarHBondContact OG-N 2.64Å; S372-A376 VanDerWaalsContact O-CB 3.32Å; S372-A376 WeakPolarHBondContact O-CB 3.38Å; S372-A376 PolarHBondContact O-N 2.97Å
373S84.5Confident90.2Very high109 Ų10951.7 Ų51.776%0.76229%0.289SS*.Hα-helixtrans-58.8-35.9-179.161.70000113.3G377S373-G377 PolarHBondContact O-N 3.31Å
374K88.7Confident89.8Confident143 Ų14353.1 Ų53.162%0.62229%0.294SS*.Hα-helixtrans-63.9-49.5175.5-176.4-179.9177.1-174.60110.9S372 G377 M378S372-K374 VanDerWaalsContact C-N 3.26Å; S372-K374 PolarHBondContact O-N 2.83Å; K374-G377 PolarHBondContact O-N 2.95Å; K374-M378 HydrophobicContact CD-CE 4.24Å; K374-M378 HydrophobicContact CG-CE 3.76Å; K374-M378 HydrophobicContact CG-SD 4.38Å; K374-M378 VanDerWaalsContact O-CG 3.32Å; K374-M378 WeakPolarHBondContact O-CG 3.39Å; K374-M378 PolarHBondContact O-N 3.42Å; K374-M378 VanDerWaalsContact O-N 3.13Å
375F93.3Very high89.3Confident0 Ų058.3 Ų58.30%032%0.318CS..Hα-helixtrans-66.1-48179.4-175.3-103000111.6R366 C367 V369 S372 G377 M378 V379 A387 V390 M406 F420R366-F375 VanDerWaalsContact O-CB 3.28Å; R366-F375 WeakPolarHBondContact O-CB 3.35Å; C367-F375 VanDerWaalsContact C-CE1 3.43Å; C367-F375 HydrophobicContact CB-CE1 4.49Å; C367-F375 HydrophobicContact CB-CE2 4.07Å; C367-F375 HydrophobicContact CB-CZ 4.03Å; C367-F375 WeakPolarHBondContact O-CE1 3.23Å; V369-F375 HydrophobicContact CG2-CD1 3.93Å; V369-F375 HydrophobicContact CG2-CE1 3.84Å; S372-F375 PolarHBondContact O-N 3.26Å; S372-F375 VanDerWaalsContact O-N 3.14Å; S372-F375 WeakPolarHBondContact OG-CB 3.44Å; S372-F375 PolarHBondContact OG-N 2.64Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 2.85Å; F375-M378 WeakPolarHBondContact O-CA 3.46Å; F375-M378 WeakPolarHBondContact O-CB 3.22Å; F375-M378 PolarHBondContact O-N 3.21Å; F375-V379 HydrophobicContact CD1-CG2 4.05Å; F375-V379 HydrophobicContact CE1-CG2 3.73Å; F375-V379 HydrophobicContact CE2-CG2 4.25Å; F375-V379 HydrophobicContact CG-CG2 4.44Å; F375-V379 HydrophobicContact CZ-CG2 3.83Å; F375-V379 WeakPolarHBondContact O-CG2 3.26Å; F375-V379 PolarHBondContact O-N 2.96Å; F375-A387 HydrophobicContact CD2-CB 4Å; F375-A387 HydrophobicContact CE2-CB 3.68Å; F375-V390 HydrophobicContact CD2-CB 4.23Å; F375-V390 HydrophobicContact CD2-CG1 4.28Å; F375-V390 HydrophobicContact CD2-CG2 4.47Å; F375-M406 HydrophobicContact CE1-CE 4.08Å; F375-M406 HydrophobicContact CE1-SD 4.24Å; F375-M406 HydrophobicContact CZ-CE 3.8Å; F375-F420 AromaticContact CE2-CE1 3.8Å; F375-F420 HydrophobicContact CE2-CE1 3.8Å; F375-F420 HydrophobicContact CE2-CE2 4.22Å; F375-F420 AromaticContact CE2-CZ 3.57Å; F375-F420 HydrophobicContact CE2-CZ 3.57Å; F375-F420 HydrophobicContact CZ-CD1 4.11Å; F375-F420 AromaticContact CZ-CE1 3.61Å; F375-F420 HydrophobicContact CZ-CE1 3.61Å; F375-F420 AromaticContact CZ-CZ 3.86Å; F375-F420 HydrophobicContact CZ-CZ 3.86Å
376A89.5Confident88.9Confident3 Ų358.4 Ų58.43%0.02533%0.325CS..Hα-helixtrans-54-44.1174.700000112.2V369 S372 M378 V379 R380V369-A376 HydrophobicContact CG1-CB 3.85Å; V369-A376 VanDerWaalsContact O-CB 3.29Å; V369-A376 WeakPolarHBondContact O-CB 3.44Å; S372-A376 VanDerWaalsContact O-CB 3.32Å; S372-A376 WeakPolarHBondContact O-CB 3.38Å; S372-A376 PolarHBondContact O-N 2.97Å; A376-M378 VanDerWaalsContact C-N 3.31Å; A376-M378 PolarHBondContact O-N 3.41Å; A376-V379 PolarHBondContact O-N 3.4Å; A376-R380 WeakPolarHBondContact O-CB 3.28Å; A376-R380 WeakPolarHBondContact O-CG 3.27Å; A376-R380 PolarHBondContact O-N 3.35Å
377G87.6Confident88.8Confident25 Ų2553.9 Ų53.926%0.25831%0.308SS..Hα-helixtrans-64.7-31.9176.700000113.7S373 K374 F375 K381S373-G377 PolarHBondContact O-N 3.31Å; K374-G377 PolarHBondContact O-N 2.95Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 2.85Å; G377-K381 WeakPolarHBondContact O-CB 3.49Å; G377-K381 VanDerWaalsContact O-CD 3.31Å; G377-K381 WeakPolarHBondContact O-CD 3.43Å; G377-K381 WeakPolarHBondContact O-CG 3.44Å
378M93.3Very high88.5Confident34 Ų3454.2 Ų54.217%0.16731%0.31CS..Hα-helixtrans-74-49.3175.3-69.1167.2174.800111.2K374 F375 A376 K381 G382 K383 A386 A387 V390K374-M378 HydrophobicContact CD-CE 4.24Å; K374-M378 HydrophobicContact CG-CE 3.76Å; K374-M378 HydrophobicContact CG-SD 4.38Å; K374-M378 VanDerWaalsContact O-CG 3.32Å; K374-M378 WeakPolarHBondContact O-CG 3.39Å; K374-M378 PolarHBondContact O-N 3.42Å; K374-M378 VanDerWaalsContact O-N 3.13Å; F375-M378 WeakPolarHBondContact O-CA 3.46Å; F375-M378 WeakPolarHBondContact O-CB 3.22Å; F375-M378 PolarHBondContact O-N 3.21Å; A376-M378 VanDerWaalsContact C-N 3.31Å; A376-M378 PolarHBondContact O-N 3.41Å; M378-K381 CarbonylContact O-C 3.51Å; M378-K381 PolarHBondContact O-N 2.61Å; M378-G382 PolarHBondContact O-N 3.04Å; M378-K383 HydrophobicContact CB-CB 4.33Å; M378-K383 PolarHBondContact O-N 3.09Å; M378-A386 HydrophobicContact CE-CB 3.99Å; M378-A386 HydrophobicContact CG-CB 4.14Å; M378-A386 VanDerWaalsContact SD-C 3.56Å; M378-A386 HydrophobicContact SD-CB 3.87Å; M378-A386 VanDerWaalsContact SD-O 3.39Å; M378-A387 HydrophobicContact CB-CB 4.26Å; M378-V390 HydrophobicContact CE-CG2 4.43Å; M378-V390 HydrophobicContact SD-CG2 3.9Å
379V91.2Very high88.5Confident3 Ų357.4 Ų57.42%0.01832%0.324CS..Hα-helixtrans-63.3-48.4-178.4177.10000111.4V369 F375 A376 K381 G382 Y384 A387 M406 L411V369-V379 HydrophobicContact CG2-CB 4.38Å; V369-V379 HydrophobicContact CG2-CG1 4.4Å; V369-V379 HydrophobicContact CG2-CG2 4.37Å; F375-V379 HydrophobicContact CD1-CG2 4.05Å; F375-V379 HydrophobicContact CE1-CG2 3.73Å; F375-V379 HydrophobicContact CE2-CG2 4.25Å; F375-V379 HydrophobicContact CG-CG2 4.44Å; F375-V379 HydrophobicContact CZ-CG2 3.83Å; F375-V379 WeakPolarHBondContact O-CG2 3.26Å; F375-V379 PolarHBondContact O-N 2.96Å; A376-V379 PolarHBondContact O-N 3.4Å; V379-K381 PolarHBondContact O-N 3.48Å; V379-G382 PolarHBondContact O-N 2.98Å; V379-Y384 HydrophobicContact CG1-CE1 4.3Å; V379-A387 HydrophobicContact CG2-CB 4.4Å; V379-M406 HydrophobicContact CG1-SD 4.21Å; V379-M406 HydrophobicContact CG2-SD 4.46Å; V379-L411 HydrophobicContact CG1-CD1 3.71Å; V379-L411 HydrophobicContact CG1-CD2 4.31Å
380R87.7Confident88.6Confident139 Ų13957.6 Ų57.653%0.52533%0.325SS..Hα-helixtrans-61.5-26.9177.5-69.1-177-167135.41.8113.3A376 G382 D408 L411A376-R380 WeakPolarHBondContact O-CB 3.28Å; A376-R380 WeakPolarHBondContact O-CG 3.27Å; A376-R380 PolarHBondContact O-N 3.35Å; R380-G382 VanDerWaalsContact C-N 3.34Å; R380-D408 IonicContact CZ-OD2 3.53Å; R380-D408 IonicContact NE-OD1 2.85Å; R380-D408 IonicContact NE-OD2 3.68Å; R380-D408 IonicContact NH2-OD2 3.5Å; R380-D408 PolarHBondContact NH2-OD2 3.21Å; R380-L411 HydrophobicContact CG-CD2 4.19Å
381K89Confident89.2Confident158 Ų15854 Ų5469%0.68730%0.295SS*.THydrogen-bonded Turntrans-89.33.3175.1-68.1177.2-173.51760113.1G377 M378 V379 K383G377-K381 WeakPolarHBondContact O-CB 3.49Å; G377-K381 VanDerWaalsContact O-CD 3.31Å; G377-K381 WeakPolarHBondContact O-CD 3.43Å; G377-K381 WeakPolarHBondContact O-CG 3.44Å; M378-K381 CarbonylContact O-C 3.51Å; M378-K381 PolarHBondContact O-N 2.61Å; V379-K381 PolarHBondContact O-N 3.48Å; K381-K383 HydrophobicContact CB-CG 4.14Å; K381-K383 PolarHBondContact O-N 3.39Å
382G86.9Confident89.7Confident46 Ų4651.7 Ų51.747%0.47427%0.267SS..THydrogen-bonded Turntrans67.715.6-176.300000114.7M378 V379 R380 Y384M378-G382 PolarHBondContact O-N 3.04Å; V379-G382 PolarHBondContact O-N 2.98Å; R380-G382 VanDerWaalsContact C-N 3.34Å; G382-Y384 VanDerWaalsContact C-N 3.26Å; G382-Y384 WeakPolarHBondContact O-CD2 3.18Å; G382-Y384 PolarHBondContact O-N 3.11Å
383K90.9Very high90Very high125 Ų12553 Ų5354%0.54328%0.277SS..  trans-84.760.9-178.7-64.9-170173.6-167.10111.6M378 K381 E385 A386 A387M378-K383 HydrophobicContact CB-CB 4.33Å; M378-K383 PolarHBondContact O-N 3.09Å; K381-K383 HydrophobicContact CB-CG 4.14Å; K381-K383 PolarHBondContact O-N 3.39Å; K383-E385 PolarHBondContact O-N 3.44Å; K383-A386 HydrophobicContact CB-CB 4.28Å; K383-A386 PolarHBondContact O-N 2.84Å; K383-A387 PolarHBondContact O-N 3.02Å
384Y89.9Confident90.4Very high31 Ų3148 Ų4812%0.12224%0.241CC..Hα-helixtrans-64.8-33.6-175-72.2-87.5000113.9V379 G382 A386 A387 L388 K419 F420 L423V379-Y384 HydrophobicContact CG1-CE1 4.3Å; G382-Y384 VanDerWaalsContact C-N 3.26Å; G382-Y384 WeakPolarHBondContact O-CD2 3.18Å; G382-Y384 PolarHBondContact O-N 3.11Å; Y384-A386 VanDerWaalsContact C-N 3.31Å; Y384-A386 PolarHBondContact O-N 3.11Å; Y384-A387 CarbonylContact O-C 3.34Å; Y384-A387 WeakPolarHBondContact O-CA 3.43Å; Y384-A387 VanDerWaalsContact O-CB 3.29Å; Y384-A387 WeakPolarHBondContact O-CB 3.18Å; Y384-A387 PolarHBondContact O-N 2.88Å; Y384-L388 PolarHBondContact O-N 2.66Å; Y384-K419 HydrophobicContact CD1-CG 4.45Å; Y384-K419 HydrophobicContact CD2-CD 3.99Å; Y384-K419 HydrophobicContact CE1-CD 4.38Å; Y384-K419 HydrophobicContact CE1-CG 4.35Å; Y384-K419 HydrophobicContact CE2-CD 3.74Å; Y384-K419 HydrophobicContact CG-CD 4.43Å; Y384-F420 HydrophobicContact CD1-CB 4.28Å; Y384-F420 AromaticContact CD1-CD2 4Å; Y384-F420 HydrophobicContact CD1-CD2 4Å; Y384-F420 HydrophobicContact CE1-CB 4.31Å; Y384-L423 VanDerWaalsContact CB-CD1 3.44Å; Y384-L423 HydrophobicContact CD1-CD1 4.32Å; Y384-L423 HydrophobicContact CG-CD1 4.13Å
385E84.3Confident90.5Very high108 Ų10842 Ų4251%0.50522%0.216SC..Hα-helixtrans-59.5-41.5173.8-70.9-59.6151.300112.5K383 A387 L388 Q389K383-E385 PolarHBondContact O-N 3.44Å; E385-A387 VanDerWaalsContact C-N 3.27Å; E385-A387 PolarHBondContact O-N 2.76Å; E385-L388 WeakPolarHBondContact O-CB 3.47Å; E385-L388 PolarHBondContact O-N 2.75Å; E385-Q389 PolarHBondContact O-N 3.26Å
386A86.6Confident90.3Very high35 Ų3548 Ų4829%0.28924%0.244SC..Hα-helixtrans-69.2-30174.800000111.8M378 K383 Y384 Q389M378-A386 HydrophobicContact CE-CB 3.99Å; M378-A386 HydrophobicContact CG-CB 4.14Å; M378-A386 VanDerWaalsContact SD-C 3.56Å; M378-A386 HydrophobicContact SD-CB 3.87Å; M378-A386 VanDerWaalsContact SD-O 3.39Å; K383-A386 HydrophobicContact CB-CB 4.28Å; K383-A386 PolarHBondContact O-N 2.84Å; Y384-A386 VanDerWaalsContact C-N 3.31Å; Y384-A386 PolarHBondContact O-N 3.11Å; A386-Q389 WeakPolarHBondContact O-CB 3.41Å; A386-Q389 PolarHBondContact O-N 2.71Å
387A91Very high90.2Very high0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-70.5-33.517500000112F375 M378 V379 K383 Y384 E385 Q389 V390 A391 F420F375-A387 HydrophobicContact CD2-CB 4Å; F375-A387 HydrophobicContact CE2-CB 3.68Å; M378-A387 HydrophobicContact CB-CB 4.26Å; V379-A387 HydrophobicContact CG2-CB 4.4Å; K383-A387 PolarHBondContact O-N 3.02Å; Y384-A387 CarbonylContact O-C 3.34Å; Y384-A387 WeakPolarHBondContact O-CA 3.43Å; Y384-A387 VanDerWaalsContact O-CB 3.29Å; Y384-A387 WeakPolarHBondContact O-CB 3.18Å; Y384-A387 PolarHBondContact O-N 2.88Å; E385-A387 VanDerWaalsContact C-N 3.27Å; E385-A387 PolarHBondContact O-N 2.76Å; A387-Q389 VanDerWaalsContact C-N 3.3Å; A387-Q389 PolarHBondContact O-N 3.07Å; A387-V390 WeakPolarHBondContact O-CB 3.37Å; A387-V390 PolarHBondContact O-N 3.46Å; A387-V390 VanDerWaalsContact O-N 3.11Å; A387-A391 PolarHBondContact O-N 3.34Å; A387-F420 HydrophobicContact CB-CD2 4.46Å; A387-F420 HydrophobicContact CB-CE2 3.74Å; A387-F420 HydrophobicContact CB-CZ 4.27Å
388L91.4Very high90.2Very high7 Ų753.4 Ų53.44%0.03727%0.273CS..Hα-helixtrans-62-37.8172.2-72.1170.7000112Y384 E385 V390 A391 R392 F420 L423 I424 I430Y384-L388 PolarHBondContact O-N 2.66Å; E385-L388 WeakPolarHBondContact O-CB 3.47Å; E385-L388 PolarHBondContact O-N 2.75Å; L388-V390 PolarHBondContact O-N 3.48Å; L388-A391 WeakPolarHBondContact O-CB 3.4Å; L388-A391 PolarHBondContact O-N 3.38Å; L388-R392 PolarHBondContact O-N 3.26Å; L388-F420 HydrophobicContact CD2-CD2 4.39Å; L388-F420 HydrophobicContact CD2-CE2 3.85Å; L388-F420 HydrophobicContact CD2-CZ 4.45Å; L388-F420 HydrophobicContact CG-CE2 4.16Å; L388-L423 HydrophobicContact CD1-CB 3.83Å; L388-L423 HydrophobicContact CD1-CD1 4.39Å; L388-L423 HydrophobicContact CD1-CD2 4.31Å; L388-L423 HydrophobicContact CD1-CG 4.41Å; L388-L423 HydrophobicContact CD2-CB 3.74Å; L388-L423 HydrophobicContact CG-CB 4.12Å; L388-I424 HydrophobicContact CD2-CG1 3.85Å; L388-I430 HydrophobicContact CB-CD1 4.2Å; L388-I430 HydrophobicContact CD2-CD1 3.92Å
389Q92.3Very high90.1Very high89 Ų8952 Ų5242%0.41627%0.267SS..Hα-helixtrans-60.3-31.9174.5-61.2-58.3-43.700112.4E385 A386 A387 S393E385-Q389 PolarHBondContact O-N 3.26Å; A386-Q389 WeakPolarHBondContact O-CB 3.41Å; A386-Q389 PolarHBondContact O-N 2.71Å; A387-Q389 VanDerWaalsContact C-N 3.3Å; A387-Q389 PolarHBondContact O-N 3.07Å; Q389-S393 WeakPolarHBondContact O-CB 3.33Å; Q389-S393 PolarHBondContact O-N 3.1Å; Q389-S393 PolarHBondContact O-OG 3.37Å
390V92.4Very high90.4Very high10 Ų1055 Ų556%0.06128%0.281CS..Hα-helixtrans-66.6-45173.3-179.60000110.4R366 F375 M378 A387 L388 S393 Q394R366-V390 HydrophobicContact CB-CG1 3.68Å; F375-V390 HydrophobicContact CD2-CB 4.23Å; F375-V390 HydrophobicContact CD2-CG1 4.28Å; F375-V390 HydrophobicContact CD2-CG2 4.47Å; M378-V390 HydrophobicContact CE-CG2 4.43Å; M378-V390 HydrophobicContact SD-CG2 3.9Å; A387-V390 WeakPolarHBondContact O-CB 3.37Å; A387-V390 PolarHBondContact O-N 3.46Å; A387-V390 VanDerWaalsContact O-N 3.11Å; L388-V390 PolarHBondContact O-N 3.48Å; V390-S393 PolarHBondContact O-OG 3.4Å; V390-Q394 WeakPolarHBondContact O-CG 3.35Å; V390-Q394 PolarHBondContact O-N 3.28Å
391A94.3Very high90.9Very high0 Ų048.4 Ų48.40%026%0.256CS..Hα-helixtrans-60.4-49.5176.100000111.5C367 A387 L388 S393 Q394 V395 L402 F420 I430C367-A391 VanDerWaalsContact SG-CA 3.57Å; A387-A391 PolarHBondContact O-N 3.34Å; L388-A391 WeakPolarHBondContact O-CB 3.4Å; L388-A391 PolarHBondContact O-N 3.38Å; A391-S393 PolarHBondContact O-N 3.13Å; A391-Q394 WeakPolarHBondContact O-CB 3.37Å; A391-Q394 PolarHBondContact O-N 3.16Å; A391-V395 PolarHBondContact O-N 3.32Å; A391-L402 HydrophobicContact CB-CD1 4.13Å; A391-F420 HydrophobicContact CB-CZ 4.28Å; A391-I430 HydrophobicContact CB-CD1 3.98Å; A391-I430 HydrophobicContact CB-CG1 4.39Å; A391-I430 HydrophobicContact CB-CG2 3.87Å
392R92.6Very high91.3Very high14 Ų1440.9 Ų40.95%0.05322%0.223CC..Hα-helixtrans-58.5-49.1178.9-168-176.5-53.5162.9-0.6112.8L388 Q394 V395 E396 D427 I430 P984L388-R392 PolarHBondContact O-N 3.26Å; R392-Q394 PolarHBondContact O-N 3.48Å; R392-Q394 VanDerWaalsContact O-N 3.12Å; R392-V395 PolarHBondContact O-N 3.02Å; R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 WeakPolarHBondContact CG-OE1 3.48Å; R392-E396 WeakPolarHBondContact O-CG 3.44Å; R392-E396 PolarHBondContact O-N 2.92Å; R392-D427 IonicContact CZ-OD2 3.89Å; R392-D427 IonicContact NE-OD2 2.77Å; R392-D427 IonicContact NH2-OD2 2.69Å; R392-D427 PolarHBondContact NH2-OD2 2.93Å; R392-I430 HydrophobicContact CB-CD1 4.12Å; R392-I430 HydrophobicContact CB-CG1 3.92Å; R392-I430 HydrophobicContact CG-CG1 4.41Å; R392-P984 VanDerWaalsContact NH1-CA 3.26Å; R392-P984 PolarHBondContact NH1-O 3.2Å; R392-P984 VanDerWaalsContact NH2-CB 3.27Å
393S93.2Very high91.8Very high35 Ų3538.7 Ų38.725%0.24520%0.201CC..Hα-helixtrans-57.6-31.9179.768.20000112.7Q389 V390 A391 M397Q389-S393 WeakPolarHBondContact O-CB 3.33Å; Q389-S393 PolarHBondContact O-N 3.1Å; Q389-S393 PolarHBondContact O-OG 3.37Å; V390-S393 PolarHBondContact O-OG 3.4Å; A391-S393 PolarHBondContact O-N 3.13Å; S393-M397 VanDerWaalsContact O-CB 3.26Å; S393-M397 WeakPolarHBondContact O-CB 3.47Å; S393-M397 WeakPolarHBondContact O-CG 3.5Å; S393-M397 PolarHBondContact O-N 3.2Å
394Q91.8Very high92.2Very high3 Ų332.8 Ų32.81%0.01418%0.175CC..Hα-helixtrans-71.1-40.7177.2-69.8-178.1100.300112.1G364 R366 C367 V390 A391 R392 M397 G398 A399 L402G364-Q394 PolarHBondContact O-OE1 3.46Å; R366-Q394 VanDerWaalsContact CB-CD 3.46Å; R366-Q394 HydrophobicContact CB-CG 4.13Å; R366-Q394 HydrophobicContact CG-CG 4.28Å; C367-Q394 PolarHBondContact SG-NE2 3.03Å; C367-Q394 VanDerWaalsContact SG-NE2 3.37Å; V390-Q394 WeakPolarHBondContact O-CG 3.35Å; V390-Q394 PolarHBondContact O-N 3.28Å; A391-Q394 WeakPolarHBondContact O-CB 3.37Å; A391-Q394 PolarHBondContact O-N 3.16Å; R392-Q394 PolarHBondContact O-N 3.48Å; R392-Q394 VanDerWaalsContact O-N 3.12Å; Q394-M397 CarbonylContact O-C 3.56Å; Q394-M397 PolarHBondContact O-N 3.37Å; Q394-G398 PolarHBondContact O-N 2.87Å; Q394-A399 HydrophobicContact CB-CB 4.08Å; Q394-A399 WeakPolarHBondContact O-CB 3.43Å; Q394-A399 PolarHBondContact O-N 3.04Å; Q394-L402 HydrophobicContact CB-CD2 3.69Å
395V90.9Very high92.5Very high17 Ų1731.9 Ų31.910%0.10317%0.172CC..Hα-helixtrans-64-44.8175.7-176.90000110.4A391 R392 M397 G398 L402 V433A391-V395 PolarHBondContact O-N 3.32Å; R392-V395 PolarHBondContact O-N 3.02Å; V395-M397 VanDerWaalsContact C-N 3.27Å; V395-M397 PolarHBondContact O-N 3.46Å; V395-G398 PolarHBondContact O-N 3.26Å; V395-L402 HydrophobicContact CG2-CD1 3.73Å; V395-L402 HydrophobicContact CG2-CD2 3.98Å; V395-L402 HydrophobicContact CG2-CG 4.02Å; V395-V433 HydrophobicContact CG1-CG1 4.01Å; V395-V433 HydrophobicContact CG1-CG2 4.5Å; V395-V433 HydrophobicContact CG2-CG2 3.73Å
396E89.5Confident93.1Very high127 Ų12726.8 Ų26.859%0.59315%0.148SC*.Hα-helixtrans-60.2-36.5175.1-69.3170.8178.800112.5R392 G398R392-E396 HydrophobicContact CG-CG 4.44Å; R392-E396 WeakPolarHBondContact CG-OE1 3.48Å; R392-E396 WeakPolarHBondContact O-CG 3.44Å; R392-E396 PolarHBondContact O-N 2.92Å; E396-G398 PolarHBondContact O-N 2.62Å
397M87.9Confident93.2Very high105 Ų10527 Ų2752%0.51715%0.145SC..THydrogen-bonded Turntrans-78.25.4175.1-70.7172.8-17200113.8S393 Q394 V395 A603S393-M397 VanDerWaalsContact O-CB 3.26Å; S393-M397 WeakPolarHBondContact O-CB 3.47Å; S393-M397 WeakPolarHBondContact O-CG 3.5Å; S393-M397 PolarHBondContact O-N 3.2Å; Q394-M397 CarbonylContact O-C 3.56Å; Q394-M397 PolarHBondContact O-N 3.37Å; V395-M397 VanDerWaalsContact C-N 3.27Å; V395-M397 PolarHBondContact O-N 3.46Å; M397-A603 HydrophobicContact CB-CB 4.41Å
398G86.9Confident93Very high36 Ų3628.7 Ų28.737%0.37115%0.153SC..THydrogen-bonded Turntrans94.616.417300000115.7Q394 V395 E396 Q400Q394-G398 PolarHBondContact O-N 2.87Å; V395-G398 PolarHBondContact O-N 3.26Å; E396-G398 PolarHBondContact O-N 2.62Å; G398-Q400 PolarHBondContact O-N 3.48Å; G398-Q400 PolarHBondContact O-OE1 3.48Å
399A92.3Very high92.5Very high3 Ų333.6 Ų33.63%0.02520%0.195CC..  trans-67.2121.4165.900000109.6Q394 L402 A603Q394-A399 HydrophobicContact CB-CB 4.08Å; Q394-A399 WeakPolarHBondContact O-CB 3.43Å; Q394-A399 PolarHBondContact O-N 3.04Å; A399-L402 HydrophobicContact CB-CD2 4.1Å; A399-A603 HydrophobicContact CB-CB 4Å
400Q95.7Very high92Very high67 Ų6737.2 Ų37.231%0.31321%0.214SC..SBendtrans-90.7-13.9178.6-57.2114.5-58.900112.6M352 V361 N362 G398 V433 P434M352-Q400 HydrophobicContact CE-CB 3.57Å; M352-Q400 HydrophobicContact SD-CB 4.38Å; V361-Q400 HydrophobicContact CG1-CB 4.25Å; N362-Q400 VanDerWaalsContact CB-OE1 3.32Å; N362-Q400 PolarHBondContact O-N 3.03Å; G398-Q400 PolarHBondContact O-N 3.48Å; G398-Q400 PolarHBondContact O-OE1 3.48Å; Q400-V433 WeakPolarHBondContact O-CB 3.23Å; Q400-P434 WeakPolarHBondContact O-CD 3.11Å
401I98.4Very high91.7Very high0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-138.7148.8173-55.6177.6000106.8L346 M352 I354 V361 N362 I363 G364 P434 C436 I457L346-I401 HydrophobicContact CD1-CD1 3.72Å; M352-I401 HydrophobicContact CE-CD1 4.12Å; M352-I401 HydrophobicContact CE-CG1 3.95Å; M352-I401 HydrophobicContact SD-CD1 4.07Å; M352-I401 HydrophobicContact SD-CG1 3.72Å; I354-I401 HydrophobicContact CD1-CD1 4.49Å; V361-I401 HydrophobicContact CG1-CD1 3.77Å; V361-I401 HydrophobicContact CG1-CG1 4.04Å; N362-I401 PolarHBondContact O-N 3.04Å; I363-I401 CarbonylContact C-O 3.58Å; I363-I401 VanDerWaalsContact CA-O 3.32Å; I363-I401 WeakPolarHBondContact CA-O 2.85Å; I363-I401 HydrophobicContact CB-CB 4.4Å; I363-I401 HydrophobicContact CG1-CB 4.11Å; I363-I401 HydrophobicContact CG1-CD1 4.38Å; I363-I401 HydrophobicContact CG1-CG2 4.45Å; I363-I401 HydrophobicContact CG2-CB 4.14Å; I363-I401 HydrophobicContact CG2-CG2 3.97Å; G364-I401 PolarHBondContact N-O 3.25Å; I401-P434 WeakPolarHBondContact CA-O 3.45Å; I401-P434 WeakPolarHBondContact CG2-O 3.23Å; I401-C436 HydrophobicContact CG2-CB 3.87Å; I401-I457 HydrophobicContact CD1-CD1 3.86Å; I401-I457 HydrophobicContact CG2-CD1 4.4Å
402L98Very high91.5Very high0 Ų043.7 Ų43.70%025%0.248CC..EExtended strand (participates in β ladder)trans-111.3127.8174-65.7176.2000111.8A391 Q394 V395 A399 I404 I430 V433 P434 L435 C436A391-L402 HydrophobicContact CB-CD1 4.13Å; Q394-L402 HydrophobicContact CB-CD2 3.69Å; V395-L402 HydrophobicContact CG2-CD1 3.73Å; V395-L402 HydrophobicContact CG2-CD2 3.98Å; V395-L402 HydrophobicContact CG2-CG 4.02Å; A399-L402 HydrophobicContact CB-CD2 4.1Å; L402-I404 HydrophobicContact CB-CD1 4.14Å; L402-I430 HydrophobicContact CD1-CG2 3.43Å; L402-I430 VanDerWaalsContact CD1-CG2 3.43Å; L402-V433 HydrophobicContact CD1-CG2 4.14Å; L402-V433 HydrophobicContact CG-CG2 4.01Å; L402-P434 PolarHBondContact N-O 3.38Å; L402-L435 HydrophobicContact CB-CD2 4Å; L402-L435 HydrophobicContact CD1-CD2 4.36Å; L402-C436 PolarHBondContact O-N 2.83Å
403D98.1Very high91.4Very high1 Ų143.5 Ų43.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-83.4125.3170.2-173.473.3000110.1I363 G364 C367 C436 D438 I600I363-D403 HydrophobicContact CG2-CB 3.83Å; G364-D403 WeakPolarHBondContact O-CB 3.37Å; G364-D403 PolarHBondContact O-N 3.44Å; C367-D403 WeakPolarHBondContact CB-O 3.37Å; D403-C436 WeakPolarHBondContact CA-O 3.39Å; D403-C436 PolarHBondContact OD1-SG 2.9Å; D403-D438 WeakPolarHBondContact OD1-CB 3.21Å; D403-I600 HydrophobicContact CB-CG2 4.3Å
404I98Very high91.4Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-120110.6-179-47.3-61.5000108.5C367 L402 M406 M417 F420 I424 L435 C436 D438C367-I404 HydrophobicContact CB-CD1 3.68Å; L402-I404 HydrophobicContact CB-CD1 4.14Å; I404-M406 HydrophobicContact CG2-CE 4.16Å; I404-M417 HydrophobicContact CB-SD 4.38Å; I404-M417 HydrophobicContact CG2-CE 4.2Å; I404-M417 HydrophobicContact CG2-SD 3.7Å; I404-M417 WeakPolarHBondContact O-CE 3.47Å; I404-F420 HydrophobicContact CD1-CE1 4.07Å; I404-F420 HydrophobicContact CG2-CD1 3.85Å; I404-F420 HydrophobicContact CG2-CE1 4.29Å; I404-I424 HydrophobicContact CD1-CD1 3.78Å; I404-I424 HydrophobicContact CG1-CD1 4.38Å; I404-L435 HydrophobicContact CG1-CD2 4.5Å; I404-C436 PolarHBondContact N-O 2.91Å; I404-D438 PolarHBondContact O-N 3.28Å
405N96.8Very high91.5Very high13 Ų1348.9 Ų48.97%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-126.2125.5178.6-176.9-47.8000111.1C367 N368 V369 D407 D438C367-N405 PolarHBondContact O-N 3.46Å; N368-N405 HydrophobicContact CB-CB 4.08Å; N368-N405 VanDerWaalsContact ND2-CB 3.34Å; N368-N405 WeakPolarHBondContact ND2-CB 3.32Å; V369-N405 PolarHBondContact N-O 2.88Å; N405-D407 WeakPolarHBondContact OD1-CB 3.25Å; N405-D407 PolarHBondContact OD1-N 2.99Å; N405-D438 WeakPolarHBondContact CA-O 3.37Å; N405-D438 HydrophobicContact CB-CB 3.98Å; N405-D438 VanDerWaalsContact ND2-CG 3.3Å; N405-D438 PolarHBondContact ND2-OD2 3.46Å
406M95.9Very high91.8Very high0 Ų048.2 Ų48.20%028%0.275CS..  trans-117.215.2-179.2-63.6-65.4179.800113.4V369 F375 V379 I404 D408 A416 M417 F420V369-M406 HydrophobicContact CG2-SD 3.94Å; F375-M406 HydrophobicContact CE1-CE 4.08Å; F375-M406 HydrophobicContact CE1-SD 4.24Å; F375-M406 HydrophobicContact CZ-CE 3.8Å; V379-M406 HydrophobicContact CG1-SD 4.21Å; V379-M406 HydrophobicContact CG2-SD 4.46Å; I404-M406 HydrophobicContact CG2-CE 4.16Å; M406-D408 PolarHBondContact O-N 3.25Å; M406-A416 HydrophobicContact CB-CB 4.24Å; M406-A416 HydrophobicContact CG-CB 4.22Å; M406-A416 HydrophobicContact SD-CB 4.19Å; M406-M417 HydrophobicContact CB-CE 4.28Å; M406-M417 HydrophobicContact CG-CB 4.27Å; M406-M417 HydrophobicContact CG-CE 4.03Å; M406-M417 HydrophobicContact CG-SD 4.35Å; M406-F420 HydrophobicContact CE-CB 3.41Å; M406-F420 VanDerWaalsContact CE-CB 3.41Å; M406-F420 HydrophobicContact CE-CD1 3.3Å; M406-F420 HydrophobicContact CE-CD2 4.5Å; M406-F420 HydrophobicContact CE-CE1 4.18Å; M406-F420 HydrophobicContact CE-CG 3.5Å; M406-F420 VanDerWaalsContact CE-CG 3.5Å
407D90.5Very high92.1Very high40 Ų4042.1 Ų42.121%0.21425%0.247CC..  trans-74.3106.5-179.6-76.82.3000110.6N405 S439 S440N405-D407 WeakPolarHBondContact OD1-CB 3.25Å; N405-D407 PolarHBondContact OD1-N 2.99Å; D407-S439 WeakPolarHBondContact OD1-CB 3.32Å; D407-S439 PolarHBondContact OD1-OG 3.48Å; D407-S439 PolarHBondContact OD2-OG 2.82Å; D407-S440 WeakPolarHBondContact OD2-CB 3.28Å; D407-S440 PolarHBondContact OD2-N 3.19Å; D407-S440 PolarHBondContact OD2-OG 2.97Å
408D87Confident92.6Very high35 Ų3539 Ų3919%0.18723%0.233CC..  trans-152.5135.4174.8-172.8-86.7000109.5V369 R380 M406 M410 L411V369-D408 HydrophobicContact CG1-CB 3.72Å; R380-D408 IonicContact CZ-OD2 3.53Å; R380-D408 IonicContact NE-OD1 2.85Å; R380-D408 IonicContact NE-OD2 3.68Å; R380-D408 IonicContact NH2-OD2 3.5Å; R380-D408 PolarHBondContact NH2-OD2 3.21Å; M406-D408 PolarHBondContact O-N 3.25Å; D408-M410 PolarHBondContact O-N 3.49Å; D408-M410 WeakPolarHBondContact OD1-CA 3.38Å; D408-M410 VanDerWaalsContact OD1-CB 3.27Å; D408-M410 WeakPolarHBondContact OD1-CB 3.27Å; D408-M410 PolarHBondContact OD1-N 3.38Å; D408-L411 HydrophobicContact CB-CB 4.14Å; D408-L411 HydrophobicContact CB-CD1 3.84Å; D408-L411 HydrophobicContact CB-CG 3.92Å; D408-L411 PolarHBondContact O-N 3.48Å
409A79.7Confident93Very high110 Ų11041 Ų4191%0.90923%0.232SC*.THydrogen-bonded Turntrans-60.4-20-177.700000113.9
410M81.2Confident93.2Very high166 Ų16640.9 Ų40.982%0.81823%0.231SC*.THydrogen-bonded Turntrans-98.80.8-180-55.2-67-70.300113.2D408D408-M410 PolarHBondContact O-N 3.49Å; D408-M410 WeakPolarHBondContact OD1-CA 3.38Å; D408-M410 VanDerWaalsContact OD1-CB 3.27Å; D408-M410 WeakPolarHBondContact OD1-CB 3.27Å; D408-M410 PolarHBondContact OD1-N 3.38Å
411L86.1Confident93.3Very high39 Ų3937.7 Ų37.720%0.20422%0.216CC..SBendtrans-114.1145-180-64.8178.6000111.4V369 V379 R380 D408 G413V369-L411 HydrophobicContact CG1-CD1 3.98Å; V369-L411 HydrophobicContact CG2-CD1 4.06Å; V379-L411 HydrophobicContact CG1-CD1 3.71Å; V379-L411 HydrophobicContact CG1-CD2 4.31Å; R380-L411 HydrophobicContact CG-CD2 4.19Å; D408-L411 HydrophobicContact CB-CB 4.14Å; D408-L411 HydrophobicContact CB-CD1 3.84Å; D408-L411 HydrophobicContact CB-CG 3.92Å; D408-L411 PolarHBondContact O-N 3.48Å; L411-G413 PolarHBondContact O-N 3.12Å; L411-G413 VanDerWaalsContact O-N 3.16Å
412D90.6Very high93.2Very high106 Ų10638.3 Ų38.357%0.56722%0.219SC*.  trans-7695.1158.1176.9-9.9000107.8H414 S415 A416D412-H414 VanDerWaalsContact C-N 3.26Å; D412-H414 PolarHBondContact O-N 3.34Å; D412-H414 PolarHBondContact OD1-N 3.41Å; D412-H414 VanDerWaalsContact OD1-N 3.17Å; D412-S415 VanDerWaalsContact CG-CB 3.42Å; D412-S415 PolarHBondContact O-N 3.33Å; D412-S415 PolarHBondContact OD1-N 3.48Å; D412-S415 VanDerWaalsContact OD1-N 3.08Å; D412-S415 VanDerWaalsContact OD2-CB 3.23Å; D412-S415 WeakPolarHBondContact OD2-CB 3.47Å; D412-A416 VanDerWaalsContact O-CB 3.27Å; D412-A416 WeakPolarHBondContact O-CB 3.08Å; D412-A416 PolarHBondContact O-N 2.83Å
413G91.1Very high93.1Very high11 Ų1138.5 Ų38.511%0.11322%0.22CC..Hα-helixtrans-57.1-37.9-177.100000113L411 M417L411-G413 PolarHBondContact O-N 3.12Å; L411-G413 VanDerWaalsContact O-N 3.16Å; G413-M417 WeakPolarHBondContact O-CB 3.36Å; G413-M417 PolarHBondContact O-N 3.16Å
414H93.9Very high93Very high86 Ų8638.4 Ų38.440%0.39822%0.22SC..Hα-helixtrans-65.3-49.5179.8-179.4-75.2000111.1D412 T418 S443 V444D412-H414 VanDerWaalsContact C-N 3.26Å; D412-H414 PolarHBondContact O-N 3.34Å; D412-H414 PolarHBondContact OD1-N 3.41Å; D412-H414 VanDerWaalsContact OD1-N 3.17Å; H414-T418 WeakPolarHBondContact O-CB 3.28Å; H414-T418 PolarHBondContact O-N 3.13Å; H414-T418 VanDerWaalsContact O-N 3.07Å; H414-T418 PolarHBondContact O-OG1 3.32Å; H414-S443 PolarHBondContact CD2-O 3.16Å; H414-V444 HydrophobicContact CB-CG2 4.42Å
415S94.1Very high92.7Very high64 Ų6439 Ų3945%0.44822%0.224SC..Hα-helixtrans-67-42.1178.4-176.20000112.5D412 K419D412-S415 VanDerWaalsContact CG-CB 3.42Å; D412-S415 PolarHBondContact O-N 3.33Å; D412-S415 PolarHBondContact OD1-N 3.48Å; D412-S415 VanDerWaalsContact OD1-N 3.08Å; D412-S415 VanDerWaalsContact OD2-CB 3.23Å; D412-S415 WeakPolarHBondContact OD2-CB 3.47Å; S415-K419 WeakPolarHBondContact O-CB 3.34Å; S415-K419 PolarHBondContact O-N 3.5Å
416A95.2Very high92.3Very high3 Ų340.6 Ų40.63%0.02524%0.236CC..Hα-helixtrans-64.4-43.2178.400000112.1M406 D412 K419 F420M406-A416 HydrophobicContact CB-CB 4.24Å; M406-A416 HydrophobicContact CG-CB 4.22Å; M406-A416 HydrophobicContact SD-CB 4.19Å; D412-A416 VanDerWaalsContact O-CB 3.27Å; D412-A416 WeakPolarHBondContact O-CB 3.08Å; D412-A416 PolarHBondContact O-N 2.83Å; A416-K419 PolarHBondContact O-N 3.31Å; A416-F420 WeakPolarHBondContact O-CB 3.43Å; A416-F420 PolarHBondContact O-N 3.46Å
417M97.5Very high92.1Very high0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-61.1-53.5175.7-17664.175.800111I404 M406 G413 K419 F420 V421 I437 V444I404-M417 HydrophobicContact CB-SD 4.38Å; I404-M417 HydrophobicContact CG2-CE 4.2Å; I404-M417 HydrophobicContact CG2-SD 3.7Å; I404-M417 WeakPolarHBondContact O-CE 3.47Å; M406-M417 HydrophobicContact CB-CE 4.28Å; M406-M417 HydrophobicContact CG-CB 4.27Å; M406-M417 HydrophobicContact CG-CE 4.03Å; M406-M417 HydrophobicContact CG-SD 4.35Å; G413-M417 WeakPolarHBondContact O-CB 3.36Å; G413-M417 PolarHBondContact O-N 3.16Å; M417-K419 VanDerWaalsContact C-N 3.3Å; M417-K419 PolarHBondContact O-N 3.12Å; M417-F420 PolarHBondContact O-N 3.32Å; M417-V421 HydrophobicContact CG-CG2 4.31Å; M417-V421 WeakPolarHBondContact O-CG2 3.37Å; M417-V421 PolarHBondContact O-N 2.86Å; M417-V421 HydrophobicContact SD-CG2 3.79Å; M417-I437 HydrophobicContact CE-CG2 3.85Å; M417-I437 HydrophobicContact SD-CD1 4.49Å; M417-I437 HydrophobicContact SD-CG2 4.02Å; M417-V444 HydrophobicContact CB-CG1 3.86Å; M417-V444 HydrophobicContact CE-CG1 3.92Å; M417-V444 HydrophobicContact CG-CG1 4.17Å
418T96.8Very high91.9Very high38 Ų3840.9 Ų40.923%0.23324%0.239CC..Hα-helixtrans-52.2-49.8177.7-58.30000111.1H414 N422H414-T418 WeakPolarHBondContact O-CB 3.28Å; H414-T418 PolarHBondContact O-N 3.13Å; H414-T418 VanDerWaalsContact O-N 3.07Å; H414-T418 PolarHBondContact O-OG1 3.32Å; T418-N422 WeakPolarHBondContact O-CB 3.5Å; T418-N422 PolarHBondContact O-N 2.92Å; T418-N422 VanDerWaalsContact O-N 3.08Å; T418-N422 PolarHBondContact O-ND2 3.21Å
419K95.3Very high92Very high79 Ų7940 Ų4034%0.34324%0.235SC..Hα-helixtrans-63.8-46.1-177.8-177.8166.3-178.8172.20112.1E152 Y384 S415 A416 M417 L423E152-K419 HydrophobicContact CB-CG 4.23Å; E152-K419 HydrophobicContact CG-CG 4.16Å; Y384-K419 HydrophobicContact CD1-CG 4.45Å; Y384-K419 HydrophobicContact CD2-CD 3.99Å; Y384-K419 HydrophobicContact CE1-CD 4.38Å; Y384-K419 HydrophobicContact CE1-CG 4.35Å; Y384-K419 HydrophobicContact CE2-CD 3.74Å; Y384-K419 HydrophobicContact CG-CD 4.43Å; S415-K419 WeakPolarHBondContact O-CB 3.34Å; S415-K419 PolarHBondContact O-N 3.5Å; A416-K419 PolarHBondContact O-N 3.31Å; M417-K419 VanDerWaalsContact C-N 3.3Å; M417-K419 PolarHBondContact O-N 3.12Å; K419-L423 WeakPolarHBondContact O-CG 3.31Å; K419-L423 PolarHBondContact O-N 3.16Å
420F97.2Very high92.6Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-71.7-40.9-176.2-168.6-123.8000112.5C367 F375 Y384 A387 L388 A391 I404 M406 A416 M417 N422 L423 I424C367-F420 HydrophobicContact CB-CE1 4.36Å; F375-F420 AromaticContact CE2-CE1 3.8Å; F375-F420 HydrophobicContact CE2-CE1 3.8Å; F375-F420 HydrophobicContact CE2-CE2 4.22Å; F375-F420 AromaticContact CE2-CZ 3.57Å; F375-F420 HydrophobicContact CE2-CZ 3.57Å; F375-F420 HydrophobicContact CZ-CD1 4.11Å; F375-F420 AromaticContact CZ-CE1 3.61Å; F375-F420 HydrophobicContact CZ-CE1 3.61Å; F375-F420 AromaticContact CZ-CZ 3.86Å; F375-F420 HydrophobicContact CZ-CZ 3.86Å; Y384-F420 HydrophobicContact CD1-CB 4.28Å; Y384-F420 AromaticContact CD1-CD2 4Å; Y384-F420 HydrophobicContact CD1-CD2 4Å; Y384-F420 HydrophobicContact CE1-CB 4.31Å; A387-F420 HydrophobicContact CB-CD2 4.46Å; A387-F420 HydrophobicContact CB-CE2 3.74Å; A387-F420 HydrophobicContact CB-CZ 4.27Å; L388-F420 HydrophobicContact CD2-CD2 4.39Å; L388-F420 HydrophobicContact CD2-CE2 3.85Å; L388-F420 HydrophobicContact CD2-CZ 4.45Å; L388-F420 HydrophobicContact CG-CE2 4.16Å; A391-F420 HydrophobicContact CB-CZ 4.28Å; I404-F420 HydrophobicContact CD1-CE1 4.07Å; I404-F420 HydrophobicContact CG2-CD1 3.85Å; I404-F420 HydrophobicContact CG2-CE1 4.29Å; M406-F420 HydrophobicContact CE-CB 3.41Å; M406-F420 VanDerWaalsContact CE-CB 3.41Å; M406-F420 HydrophobicContact CE-CD1 3.3Å; M406-F420 HydrophobicContact CE-CD2 4.5Å; M406-F420 HydrophobicContact CE-CE1 4.18Å; M406-F420 HydrophobicContact CE-CG 3.5Å; M406-F420 VanDerWaalsContact CE-CG 3.5Å; A416-F420 WeakPolarHBondContact O-CB 3.43Å; A416-F420 PolarHBondContact O-N 3.46Å; M417-F420 PolarHBondContact O-N 3.32Å; F420-N422 PolarHBondContact O-N 3.16Å; F420-L423 WeakPolarHBondContact O-CB 3.28Å; F420-L423 PolarHBondContact O-N 3.49Å; F420-I424 HydrophobicContact CD1-CD1 3.89Å; F420-I424 HydrophobicContact CE1-CD1 3.7Å; F420-I424 HydrophobicContact CE1-CG1 4.39Å; F420-I424 HydrophobicContact CZ-CD1 4.21Å; F420-I424 HydrophobicContact CZ-CG1 4.46Å; F420-I424 WeakPolarHBondContact O-CG1 3.41Å; F420-I424 PolarHBondContact O-N 2.85Å
421V98Very high93.4Very high0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-66.7-37.6177.1179.80000111.2M417 L423 I424 S425 L435 I437 C451 F452M417-V421 HydrophobicContact CG-CG2 4.31Å; M417-V421 WeakPolarHBondContact O-CG2 3.37Å; M417-V421 PolarHBondContact O-N 2.86Å; M417-V421 HydrophobicContact SD-CG2 3.79Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 3.1Å; V421-I424 PolarHBondContact O-N 3.46Å; V421-S425 WeakPolarHBondContact O-CB 3.49Å; V421-S425 PolarHBondContact O-N 2.96Å; V421-S425 PolarHBondContact O-OG 3.44Å; V421-L435 HydrophobicContact CG1-CD1 4.01Å; V421-I437 HydrophobicContact CG2-CD1 4.14Å; V421-C451 HydrophobicContact CB-CB 3.87Å; V421-C451 HydrophobicContact CG1-CB 3.56Å; V421-F452 HydrophobicContact CG1-CB 3.98Å; V421-F452 HydrophobicContact CG1-CD2 4.22Å
422N96.4Very high93.9Very high13 Ų1328 Ų287%0.0716%0.156CC..Hα-helixtrans-62.5-33.6173.3-81.4-39.2000113.5E152 R154 T418 F420 S426E152-N422 HydrophobicContact CB-CB 4.37Å; E152-N422 WeakPolarHBondContact O-CB 3.43Å; R154-N422 PolarHBondContact NE-OD1 3.03Å; R154-N422 PolarHBondContact NH2-O 2.74Å; R154-N422 PolarHBondContact NH2-OD1 2.96Å; T418-N422 WeakPolarHBondContact O-CB 3.5Å; T418-N422 PolarHBondContact O-N 2.92Å; T418-N422 VanDerWaalsContact O-N 3.08Å; T418-N422 PolarHBondContact O-ND2 3.21Å; F420-N422 PolarHBondContact O-N 3.16Å; N422-S426 PolarHBondContact O-N 3.06Å; N422-S426 PolarHBondContact O-OG 3.39Å
423L94.9Very high94.2Very high4 Ų423.8 Ų23.82%0.02113%0.134CC..Hα-helixtrans-68.6-46.2172.4-72.8169.6000111.4P151 E152 Y384 L388 K419 F420 V421 S425 S426 D427P151-L423 HydrophobicContact CB-CD2 4.05Å; P151-L423 HydrophobicContact CG-CD2 3.65Å; E152-L423 HydrophobicContact CB-CD1 4.49Å; E152-L423 HydrophobicContact CB-CD2 3.7Å; E152-L423 HydrophobicContact CB-CG 3.7Å; Y384-L423 VanDerWaalsContact CB-CD1 3.44Å; Y384-L423 HydrophobicContact CD1-CD1 4.32Å; Y384-L423 HydrophobicContact CG-CD1 4.13Å; L388-L423 HydrophobicContact CD1-CB 3.83Å; L388-L423 HydrophobicContact CD1-CD1 4.39Å; L388-L423 HydrophobicContact CD1-CD2 4.31Å; L388-L423 HydrophobicContact CD1-CG 4.41Å; L388-L423 HydrophobicContact CD2-CB 3.74Å; L388-L423 HydrophobicContact CG-CB 4.12Å; K419-L423 WeakPolarHBondContact O-CG 3.31Å; K419-L423 PolarHBondContact O-N 3.16Å; F420-L423 WeakPolarHBondContact O-CB 3.28Å; F420-L423 PolarHBondContact O-N 3.49Å; V421-L423 VanDerWaalsContact C-N 3.27Å; V421-L423 PolarHBondContact O-N 3.1Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 3.42Å; L423-S426 WeakPolarHBondContact O-CB 3.28Å; L423-S426 PolarHBondContact O-N 3.05Å; L423-D427 PolarHBondContact O-N 3.36Å
424I96.2Very high94.5Very high0 Ų023.4 Ų23.40%013%0.13CC..Hα-helixtrans-55.8-47.9174.2-69.9174.1000110.5L388 I404 F420 V421 S426 D427 I430 L435 F452L388-I424 HydrophobicContact CD2-CG1 3.85Å; I404-I424 HydrophobicContact CD1-CD1 3.78Å; I404-I424 HydrophobicContact CG1-CD1 4.38Å; F420-I424 HydrophobicContact CD1-CD1 3.89Å; F420-I424 HydrophobicContact CE1-CD1 3.7Å; F420-I424 HydrophobicContact CE1-CG1 4.39Å; F420-I424 HydrophobicContact CZ-CD1 4.21Å; F420-I424 HydrophobicContact CZ-CG1 4.46Å; F420-I424 WeakPolarHBondContact O-CG1 3.41Å; F420-I424 PolarHBondContact O-N 2.85Å; V421-I424 PolarHBondContact O-N 3.46Å; I424-S426 PolarHBondContact O-N 3.15Å; I424-D427 PolarHBondContact O-N 2.6Å; I424-I430 HydrophobicContact CB-CG2 4.29Å; I424-I430 HydrophobicContact CD1-CG2 4.42Å; I424-I430 HydrophobicContact CG1-CG2 4.04Å; I424-I430 HydrophobicContact CG2-CB 4.11Å; I424-I430 HydrophobicContact CG2-CG2 3.55Å; I424-L435 HydrophobicContact CG2-CD1 4.2Å; I424-L435 HydrophobicContact CG2-CD2 4.29Å; I424-F452 HydrophobicContact CG2-CE2 4.12Å
425S93.3Very high94.8Very high12 Ų1219.3 Ų19.38%0.08411%0.111CC..THydrogen-bonded Turntrans-59.4-18.9178.4-67.80000113.8V421 L423 C451 F452V421-S425 WeakPolarHBondContact O-CB 3.49Å; V421-S425 PolarHBondContact O-N 2.96Å; V421-S425 PolarHBondContact O-OG 3.44Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 3.42Å; S425-C451 PolarHBondContact OG-O 3.42Å; S425-F452 WeakPolarHBondContact OG-CD2 3.33Å
426S88.5Confident95Very high46 Ų4616.3 Ų16.332%0.3229%0.09SC..THydrogen-bonded Turntrans-93.8-5.6177.5-520000113.6P151 N422 L423 I424P151-S426 PolarHBondContact O-OG 3.29Å; N422-S426 PolarHBondContact O-N 3.06Å; N422-S426 PolarHBondContact O-OG 3.39Å; L423-S426 WeakPolarHBondContact O-CB 3.28Å; L423-S426 PolarHBondContact O-N 3.05Å; I424-S426 PolarHBondContact O-N 3.15Å
427D90.1Very high95.1Very high10 Ų1016.1 Ų16.15%0.0539%0.088CC..  trans-114.7100.5-178.8-177.6-47.4000108.4R392 L423 I424 D429 I430 A431 P984R392-D427 IonicContact CZ-OD2 3.89Å; R392-D427 IonicContact NE-OD2 2.77Å; R392-D427 IonicContact NH2-OD2 2.69Å; R392-D427 PolarHBondContact NH2-OD2 2.93Å; L423-D427 PolarHBondContact O-N 3.36Å; I424-D427 PolarHBondContact O-N 2.6Å; D427-D429 PolarHBondContact O-N 2.94Å; D427-D429 VanDerWaalsContact O-N 3.15Å; D427-D429 PolarHBondContact OD1-N 2.95Å; D427-I430 HydrophobicContact CB-CB 4.46Å; D427-I430 HydrophobicContact CB-CD1 3.95Å; D427-I430 HydrophobicContact CB-CG1 4.33Å; D427-I430 VanDerWaalsContact CG-CD1 3.42Å; D427-I430 PolarHBondContact O-N 3.26Å; D427-I430 WeakPolarHBondContact OD1-CG1 3.34Å; D427-I430 PolarHBondContact OD1-N 3.2Å; D427-I430 WeakPolarHBondContact OD2-CD1 3.45Å; D427-A431 VanDerWaalsContact O-CB 3.3Å; D427-A431 WeakPolarHBondContact O-CB 2.88Å; D427-A431 PolarHBondContact O-N 3.16Å; D427-P984 HydrophobicContact CB-CG 4.47Å; D427-P984 VanDerWaalsContact CG-CG 3.45Å; D427-P984 WeakPolarHBondContact OD1-CB 3.42Å; D427-P984 WeakPolarHBondContact OD1-CG 3.46Å; D427-P984 WeakPolarHBondContact OD2-CB 3.2Å
428P87.6Confident95.1Very high36 Ų3617.3 Ų17.323%0.23410%0.095CC..Hα-helixtrans-58.2-28.4-173.3-27.536.4000115L349 I430 A431 K432L349-P428 HydrophobicContact CD1-CB 3.96Å; P428-I430 VanDerWaalsContact C-N 3.35Å; P428-A431 PolarHBondContact O-N 3.47Å; P428-K432 WeakPolarHBondContact O-CB 3.39Å; P428-K432 PolarHBondContact O-N 3.36Å
429D88Confident95.1Very high17 Ų1715.6 Ų15.69%0.0918%0.084CC..Hα-helixtrans-82.8-23-172.6-53.6-26.6000112.1D427 K432 P984 D985D427-D429 PolarHBondContact O-N 2.94Å; D427-D429 VanDerWaalsContact O-N 3.15Å; D427-D429 PolarHBondContact OD1-N 2.95Å; D429-K432 WeakPolarHBondContact O-CE 3.21Å; D429-K432 WeakPolarHBondContact O-CG 3.34Å; D429-P984 HydrophobicContact CB-CB 3.89Å; D429-P984 HydrophobicContact CB-CG 4.08Å; D429-P984 WeakPolarHBondContact OD2-CB 3.44Å; D429-P984 WeakPolarHBondContact OD2-CG 3.18Å; D429-D985 VanDerWaalsContact OD1-CG 3.25Å; D429-D985 WeakPolarHBondContact OD2-CA 3.49Å; D429-D985 WeakPolarHBondContact OD2-CB 3.47Å; D429-D985 PolarHBondContact OD2-N 3.21Å
430I93.6Very high94.9Very high0 Ų016.2 Ų16.20%010%0.099CC..Hα-helixtrans-84.7-46.7166.2-52.4168.7000109.3L388 A391 R392 L402 I424 D427 P428 K432 V433L388-I430 HydrophobicContact CB-CD1 4.2Å; L388-I430 HydrophobicContact CD2-CD1 3.92Å; A391-I430 HydrophobicContact CB-CD1 3.98Å; A391-I430 HydrophobicContact CB-CG1 4.39Å; A391-I430 HydrophobicContact CB-CG2 3.87Å; R392-I430 HydrophobicContact CB-CD1 4.12Å; R392-I430 HydrophobicContact CB-CG1 3.92Å; R392-I430 HydrophobicContact CG-CG1 4.41Å; L402-I430 HydrophobicContact CD1-CG2 3.43Å; L402-I430 VanDerWaalsContact CD1-CG2 3.43Å; I424-I430 HydrophobicContact CB-CG2 4.29Å; I424-I430 HydrophobicContact CD1-CG2 4.42Å; I424-I430 HydrophobicContact CG1-CG2 4.04Å; I424-I430 HydrophobicContact CG2-CB 4.11Å; I424-I430 HydrophobicContact CG2-CG2 3.55Å; D427-I430 HydrophobicContact CB-CB 4.46Å; D427-I430 HydrophobicContact CB-CD1 3.95Å; D427-I430 HydrophobicContact CB-CG1 4.33Å; D427-I430 VanDerWaalsContact CG-CD1 3.42Å; D427-I430 PolarHBondContact O-N 3.26Å; D427-I430 WeakPolarHBondContact OD1-CG1 3.34Å; D427-I430 PolarHBondContact OD1-N 3.2Å; D427-I430 WeakPolarHBondContact OD2-CD1 3.45Å; P428-I430 VanDerWaalsContact C-N 3.35Å; I430-K432 PolarHBondContact O-N 3.05Å; I430-K432 VanDerWaalsContact O-N 3.16Å; I430-V433 VanDerWaalsContact O-CG2 3.27Å; I430-V433 WeakPolarHBondContact O-CG2 3.49Å; I430-V433 PolarHBondContact O-N 2.86Å
431A96.1Very high94.8Very high1 Ų121.6 Ų21.61%0.00812%0.123CC..Hα-helixtrans-67.9-14-175.400000114.2G348 L349 D427 P428 V433 F452G348-A431 CarbonylContact C-O 3.58Å; G348-A431 WeakPolarHBondContact CA-O 3.47Å; L349-A431 HydrophobicContact CD1-CB 4.05Å; L349-A431 HydrophobicContact CG-CB 3.95Å; L349-A431 PolarHBondContact N-O 2.98Å; D427-A431 VanDerWaalsContact O-CB 3.3Å; D427-A431 WeakPolarHBondContact O-CB 2.88Å; D427-A431 PolarHBondContact O-N 3.16Å; P428-A431 PolarHBondContact O-N 3.47Å; A431-V433 VanDerWaalsContact C-N 3.26Å; A431-V433 PolarHBondContact O-N 2.92Å; A431-F452 HydrophobicContact CB-CE2 4.17Å
432K96.6Very high94.7Very high62 Ų6223.7 Ų23.727%0.2714%0.135SC..THydrogen-bonded Turntrans-61.8-31.4176.470.7-169.6174-159.90113.4G348 E350 P428 D429 I430G348-K432 WeakPolarHBondContact CA-O 3.21Å; E350-K432 HydrophobicContact CG-CB 4.19Å; E350-K432 PolarHBondContact N-O 3.04Å; P428-K432 WeakPolarHBondContact O-CB 3.39Å; P428-K432 PolarHBondContact O-N 3.36Å; D429-K432 WeakPolarHBondContact O-CE 3.21Å; D429-K432 WeakPolarHBondContact O-CG 3.34Å; I430-K432 PolarHBondContact O-N 3.05Å; I430-K432 VanDerWaalsContact O-N 3.16Å
433V97.7Very high94.7Very high18 Ų1826.1 Ų26.111%0.10915%0.152CC..SBendtrans-93.4152.3177.8-64.30000112.4V395 Q400 L402 I430 A431V395-V433 HydrophobicContact CG1-CG1 4.01Å; V395-V433 HydrophobicContact CG1-CG2 4.5Å; V395-V433 HydrophobicContact CG2-CG2 3.73Å; Q400-V433 WeakPolarHBondContact O-CB 3.23Å; L402-V433 HydrophobicContact CD1-CG2 4.14Å; L402-V433 HydrophobicContact CG-CG2 4.01Å; I430-V433 VanDerWaalsContact O-CG2 3.27Å; I430-V433 WeakPolarHBondContact O-CG2 3.49Å; I430-V433 PolarHBondContact O-N 2.86Å; A431-V433 VanDerWaalsContact C-N 3.26Å; A431-V433 PolarHBondContact O-N 2.92Å
434P98.5Very high94.8Very high2 Ų226.3 Ų26.31%0.01315%0.154CC..  trans-64.1154.5171.9-17.730.5000112.9L346 M352 Q400 I401 L402L346-P434 HydrophobicContact CB-CB 3.91Å; L346-P434 HydrophobicContact CB-CG 3.59Å; L346-P434 HydrophobicContact CD1-CB 4.43Å; L346-P434 HydrophobicContact CD1-CG 4.49Å; M352-P434 HydrophobicContact CB-CG 3.97Å; M352-P434 HydrophobicContact SD-CG 3.83Å; Q400-P434 WeakPolarHBondContact O-CD 3.11Å; I401-P434 WeakPolarHBondContact CA-O 3.45Å; I401-P434 WeakPolarHBondContact CG2-O 3.23Å; L402-P434 PolarHBondContact N-O 3.38Å
435L98.6Very high94.9Very high0 Ų026.3 Ų26.30%015%0.154CC..EExtended strand (participates in β ladder)trans-104.5140.8174.3-54.5-175.8000111.4L402 I404 V421 I424 I437 F452 C456 I457L402-L435 HydrophobicContact CB-CD2 4Å; L402-L435 HydrophobicContact CD1-CD2 4.36Å; I404-L435 HydrophobicContact CG1-CD2 4.5Å; V421-L435 HydrophobicContact CG1-CD1 4.01Å; I424-L435 HydrophobicContact CG2-CD1 4.2Å; I424-L435 HydrophobicContact CG2-CD2 4.29Å; L435-I437 HydrophobicContact CB-CD1 3.84Å; L435-I437 HydrophobicContact CD1-CD1 4.16Å; L435-F452 HydrophobicContact CD1-CB 4.41Å; L435-F452 HydrophobicContact CD1-CD1 4.31Å; L435-F452 HydrophobicContact CD1-CD2 3.42Å; L435-F452 VanDerWaalsContact CD1-CD2 3.42Å; L435-F452 HydrophobicContact CD1-CE1 4.41Å; L435-F452 HydrophobicContact CD1-CE2 3.6Å; L435-F452 HydrophobicContact CD1-CG 3.8Å; L435-F452 HydrophobicContact CD1-CZ 4.09Å; L435-F452 HydrophobicContact CD2-CE2 4.48Å; L435-F452 HydrophobicContact CD2-CZ 4.45Å; L435-F452 HydrophobicContact CG-CD1 4.27Å; L435-F452 HydrophobicContact CG-CD2 4.05Å; L435-F452 HydrophobicContact CG-CE1 4.01Å; L435-F452 HydrophobicContact CG-CE2 3.82Å; L435-F452 HydrophobicContact CG-CG 4.26Å; L435-F452 HydrophobicContact CG-CZ 3.78Å; L435-C456 CarbonylContact O-C 3.48Å; L435-C456 VanDerWaalsContact O-CA 3.31Å; L435-C456 WeakPolarHBondContact O-CA 3.37Å; L435-C456 VanDerWaalsContact O-CB 3.28Å; L435-C456 WeakPolarHBondContact O-CB 3.36Å; L435-I457 PolarHBondContact O-N 3.33Å
436C98.4Very high95.1Very high1 Ų126.6 Ų26.61%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-102.3101.7165.6179.60000107.3I363 I401 L402 D403 I404 D438 I457 N459I363-C436 HydrophobicContact CG2-CB 4.16Å; I401-C436 HydrophobicContact CG2-CB 3.87Å; L402-C436 PolarHBondContact O-N 2.83Å; D403-C436 WeakPolarHBondContact CA-O 3.39Å; D403-C436 PolarHBondContact OD1-SG 2.9Å; I404-C436 PolarHBondContact N-O 2.91Å; C436-D438 PolarHBondContact O-N 3.34Å; C436-I457 CarbonylContact C-O 3.54Å; C436-I457 WeakPolarHBondContact CA-O 3.1Å; C436-I457 HydrophobicContact CB-CB 4.29Å; C436-N459 VanDerWaalsContact SG-CB 3.55Å
437I98.5Very high95.6Very high0 Ų024.4 Ų24.40%014%0.138CC..EExtended strand (participates in β ladder)trans-84.5109.2-177.1-54.2-58000108.1M417 V421 L435 I445 L449 C456 I457 N459M417-I437 HydrophobicContact CE-CG2 3.85Å; M417-I437 HydrophobicContact SD-CD1 4.49Å; M417-I437 HydrophobicContact SD-CG2 4.02Å; V421-I437 HydrophobicContact CG2-CD1 4.14Å; L435-I437 HydrophobicContact CB-CD1 3.84Å; L435-I437 HydrophobicContact CD1-CD1 4.16Å; I437-I445 HydrophobicContact CG2-CB 4.49Å; I437-I445 HydrophobicContact CG2-CG2 4.4Å; I437-L449 HydrophobicContact CG1-CD2 4.28Å; I437-C456 HydrophobicContact CG1-CB 4.5Å; I437-I457 PolarHBondContact N-O 3.12Å; I437-N459 PolarHBondContact O-N 3.2Å
438D97.2Very high95.9Very high25 Ų2524 Ų2413%0.13414%0.136CC..EExtended strand (participates in β ladder)trans-106.6121-172.9-178.924.8000113D403 I404 N405 C436 N459D403-D438 WeakPolarHBondContact OD1-CB 3.21Å; I404-D438 PolarHBondContact O-N 3.28Å; N405-D438 WeakPolarHBondContact CA-O 3.37Å; N405-D438 HydrophobicContact CB-CB 3.98Å; N405-D438 VanDerWaalsContact ND2-CG 3.3Å; N405-D438 PolarHBondContact ND2-OD2 3.46Å; C436-D438 PolarHBondContact O-N 3.34Å; D438-N459 CarbonylContact C-O 3.54Å; D438-N459 WeakPolarHBondContact CA-O 3.35Å; D438-N459 HydrophobicContact CB-CB 4.08Å
439S96.4Very high96.5Very high2 Ų222.3 Ų22.31%0.01413%0.125CC..  trans-162.6152.8170.1-178.40000112D407 H441 V444 N459D407-S439 WeakPolarHBondContact OD1-CB 3.32Å; D407-S439 PolarHBondContact OD1-OG 3.48Å; D407-S439 PolarHBondContact OD2-OG 2.82Å; S439-H441 PolarHBondContact O-N 3.28Å; S439-H441 PolarHBondContact OG-N 3.18Å; S439-V444 WeakPolarHBondContact OG-CB 3.4Å; S439-N459 PolarHBondContact N-O 3.28Å
440S91.9Very high96.9Very high92 Ų9222.8 Ų22.864%0.64313%0.127SC*.SBendtrans-73.1-11.516755.50000114D407D407-S440 WeakPolarHBondContact OD2-CB 3.28Å; D407-S440 PolarHBondContact OD2-N 3.19Å; D407-S440 PolarHBondContact OD2-OG 2.97Å
441H94Very high97.1Very high112 Ų11223.2 Ų23.252%0.51913%0.13SC..SBendtrans-116121.4-178.2-60.982000111.2S439 S443 V444 I445S439-H441 PolarHBondContact O-N 3.28Å; S439-H441 PolarHBondContact OG-N 3.18Å; H441-S443 PolarHBondContact O-N 3.37Å; H441-V444 HydrophobicContact CB-CB 4.44Å; H441-V444 HydrophobicContact CB-CG2 3.96Å; H441-V444 PolarHBondContact O-N 2.75Å; H441-I445 PolarHBondContact O-N 3.3Å
442L95.8Very high97.2Very high45 Ų4523.3 Ų23.324%0.23613%0.13CC..Hα-helixtrans-55.6-38.6179.7-178.765000112.5V444 I445 E446 L477L442-V444 VanDerWaalsContact C-N 3.25Å; L442-V444 PolarHBondContact O-N 3.23Å; L442-I445 WeakPolarHBondContact O-CB 3.17Å; L442-I445 PolarHBondContact O-N 3.22Å; L442-I445 VanDerWaalsContact O-N 3.13Å; L442-E446 HydrophobicContact CD1-CG 4.37Å; L442-E446 HydrophobicContact CG-CG 4.28Å; L442-E446 WeakPolarHBondContact O-CG 3.44Å; L442-E446 PolarHBondContact O-N 3.2Å; L442-L477 HydrophobicContact CD1-CD1 4.34Å; L442-L477 HydrophobicContact CD1-CD2 3.92Å; L442-L477 HydrophobicContact CD1-CG 4.12Å
443S96.2Very high97.3Very high63 Ų6320.5 Ų20.544%0.44112%0.118SC..Hα-helixtrans-60.7-32.9178.953.90000113.3H414 H441 A447H414-S443 PolarHBondContact CD2-O 3.16Å; H441-S443 PolarHBondContact O-N 3.37Å; S443-A447 WeakPolarHBondContact O-CB 3.29Å; S443-A447 PolarHBondContact O-N 3.23Å; S443-A447 VanDerWaalsContact O-N 3.08Å
444V97.5Very high97.3Very high8 Ų819.6 Ų19.65%0.04811%0.113CC..Hα-helixtrans-75-38.8176.3-179.90000110.5H414 M417 S439 H441 L442 E446 A447 G448H414-V444 HydrophobicContact CB-CG2 4.42Å; M417-V444 HydrophobicContact CB-CG1 3.86Å; M417-V444 HydrophobicContact CE-CG1 3.92Å; M417-V444 HydrophobicContact CG-CG1 4.17Å; S439-V444 WeakPolarHBondContact OG-CB 3.4Å; H441-V444 HydrophobicContact CB-CB 4.44Å; H441-V444 HydrophobicContact CB-CG2 3.96Å; H441-V444 PolarHBondContact O-N 2.75Å; L442-V444 VanDerWaalsContact C-N 3.25Å; L442-V444 PolarHBondContact O-N 3.23Å; V444-E446 VanDerWaalsContact C-N 3.33Å; V444-E446 PolarHBondContact O-N 2.7Å; V444-A447 WeakPolarHBondContact O-CB 3.47Å; V444-A447 PolarHBondContact O-N 2.93Å; V444-G448 PolarHBondContact O-N 3.33Å; V444-G448 VanDerWaalsContact O-N 3.13Å
445I98.4Very high97.3Very high1 Ų119.9 Ų19.91%0.00511%0.113CC..Hα-helixtrans-58.3-48.8172.7-61.6178000110I437 H441 L442 A447 G448 L449 A458 L477I437-I445 HydrophobicContact CG2-CB 4.49Å; I437-I445 HydrophobicContact CG2-CG2 4.4Å; H441-I445 PolarHBondContact O-N 3.3Å; L442-I445 WeakPolarHBondContact O-CB 3.17Å; L442-I445 PolarHBondContact O-N 3.22Å; L442-I445 VanDerWaalsContact O-N 3.13Å; I445-A447 VanDerWaalsContact C-N 3.35Å; I445-A447 PolarHBondContact O-N 2.79Å; I445-G448 PolarHBondContact O-N 3.09Å; I445-G448 VanDerWaalsContact O-N 3.14Å; I445-L449 HydrophobicContact CG2-CD1 3.97Å; I445-L449 HydrophobicContact CG2-CG 4.25Å; I445-L449 WeakPolarHBondContact O-CG 3.42Å; I445-L449 PolarHBondContact O-N 3.37Å; I445-A458 HydrophobicContact CG2-CB 3.69Å; I445-L477 HydrophobicContact CG2-CD2 3.88Å
446E98.2Very high97.3Very high18 Ų1819.9 Ų19.98%0.08411%0.114CC..Hα-helixtrans-59.7-44.8178.8-68.7-175.2141.700111.9L442 V444 G448 L449 Q450 R476 Y480L442-E446 HydrophobicContact CD1-CG 4.37Å; L442-E446 HydrophobicContact CG-CG 4.28Å; L442-E446 WeakPolarHBondContact O-CG 3.44Å; L442-E446 PolarHBondContact O-N 3.2Å; V444-E446 VanDerWaalsContact C-N 3.33Å; V444-E446 PolarHBondContact O-N 2.7Å; E446-G448 PolarHBondContact O-N 2.9Å; E446-L449 PolarHBondContact O-N 3.41Å; E446-L449 VanDerWaalsContact O-N 3.1Å; E446-Q450 WeakPolarHBondContact O-CB 3.23Å; E446-Q450 WeakPolarHBondContact O-CG 3.44Å; E446-Q450 PolarHBondContact O-N 2.88Å; E446-R476 IonicContact OE1-CZ 3.61Å; E446-R476 IonicContact OE1-NE 3.49Å; E446-R476 PolarHBondContact OE1-NE 3.05Å; E446-R476 IonicContact OE1-NH2 3.41Å; E446-R476 PolarHBondContact OE1-NH2 3.21Å; E446-R476 IonicContact OE2-CZ 3.56Å; E446-R476 IonicContact OE2-NE 3.19Å; E446-R476 IonicContact OE2-NH2 2.93Å; E446-R476 PolarHBondContact OE2-NH2 3.34Å; E446-Y480 HydrophobicContact CB-CE2 4.23Å; E446-Y480 HydrophobicContact CG-CE2 3.75Å
447A97.8Very high97.3Very high0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-55.5-40.3175.500000112.5S443 V444 I445 C451S443-A447 WeakPolarHBondContact O-CB 3.29Å; S443-A447 PolarHBondContact O-N 3.23Å; S443-A447 VanDerWaalsContact O-N 3.08Å; V444-A447 WeakPolarHBondContact O-CB 3.47Å; V444-A447 PolarHBondContact O-N 2.93Å; I445-A447 VanDerWaalsContact C-N 3.35Å; I445-A447 PolarHBondContact O-N 2.79Å; A447-C451 PolarHBondContact O-SG 3.17Å
448G97.9Very high97.3Very high0 Ų019.9 Ų19.90%011%0.114CC..Hα-helixtrans-67.7-45.617400000113.1V444 I445 E446 Q450 C451V444-G448 PolarHBondContact O-N 3.33Å; V444-G448 VanDerWaalsContact O-N 3.13Å; I445-G448 PolarHBondContact O-N 3.09Å; I445-G448 VanDerWaalsContact O-N 3.14Å; E446-G448 PolarHBondContact O-N 2.9Å; G448-Q450 VanDerWaalsContact C-N 3.3Å; G448-Q450 PolarHBondContact O-N 3.4Å; G448-C451 PolarHBondContact O-N 3.02Å; G448-C451 VanDerWaalsContact O-N 3.15Å
449L98.4Very high97.3Very high1 Ų119.2 Ų19.21%0.00511%0.11CC..Hα-helixtrans-63.3-34.2179.7-67.2178.2000113.1I437 I445 E446 C451 C456 A458 L477 Y480 A482I437-L449 HydrophobicContact CG1-CD2 4.28Å; I445-L449 HydrophobicContact CG2-CD1 3.97Å; I445-L449 HydrophobicContact CG2-CG 4.25Å; I445-L449 WeakPolarHBondContact O-CG 3.42Å; I445-L449 PolarHBondContact O-N 3.37Å; E446-L449 PolarHBondContact O-N 3.41Å; E446-L449 VanDerWaalsContact O-N 3.1Å; L449-C451 PolarHBondContact O-N 3.05Å; L449-C456 HydrophobicContact CD2-CB 3.52Å; L449-A458 HydrophobicContact CD1-CB 4.5Å; L449-L477 HydrophobicContact CD1-CD2 3.59Å; L449-Y480 HydrophobicContact CB-CD1 4.35Å; L449-Y480 HydrophobicContact CB-CG 4.29Å; L449-Y480 HydrophobicContact CD1-CD2 4.15Å; L449-Y480 HydrophobicContact CD1-CG 4.16Å; L449-A482 HydrophobicContact CD1-CB 4Å; L449-A482 HydrophobicContact CD2-CB 3.94Å
450Q98.2Very high97.3Very high27 Ų2720.4 Ų20.413%0.12612%0.118CC..Hα-helixtrans-67.8-21.1177.1-74.8-179.1-4.900113.3F158 D159 E446 G448 Y480F158-Q450 HydrophobicContact CB-CB 3.68Å; F158-Q450 HydrophobicContact CB-CG 3.7Å; F158-Q450 HydrophobicContact CD1-CG 3.85Å; F158-Q450 HydrophobicContact CD2-CB 4.2Å; F158-Q450 HydrophobicContact CD2-CG 4.21Å; F158-Q450 HydrophobicContact CG-CB 3.95Å; F158-Q450 HydrophobicContact CG-CG 3.67Å; D159-Q450 PolarHBondContact OD1-NE2 3.46Å; E446-Q450 WeakPolarHBondContact O-CB 3.23Å; E446-Q450 WeakPolarHBondContact O-CG 3.44Å; E446-Q450 PolarHBondContact O-N 2.88Å; G448-Q450 VanDerWaalsContact C-N 3.3Å; G448-Q450 PolarHBondContact O-N 3.4Å; Q450-Y480 HydrophobicContact CG-CE1 3.64Å; Q450-Y480 PolarHBondContact NE2-OH 3.45Å
451C97.7Very high97.5Very high10 Ų1016.5 Ų16.57%0.0689%0.09CC..THydrogen-bonded Turntrans-100.3-0.6-175.1-63.10000114.2V421 S425 A447 G448 L449V421-C451 HydrophobicContact CB-CB 3.87Å; V421-C451 HydrophobicContact CG1-CB 3.56Å; S425-C451 PolarHBondContact OG-O 3.42Å; A447-C451 PolarHBondContact O-SG 3.17Å; G448-C451 PolarHBondContact O-N 3.02Å; G448-C451 VanDerWaalsContact O-N 3.15Å; L449-C451 PolarHBondContact O-N 3.05Å
452F98.1Very high97.7Very high3 Ų312.5 Ų12.51%0.0138%0.075CC..  trans-127129.4-174.8-157.9-104.3000112.9K192 V421 I424 S425 A431 L435 C456K192-F452 PolarHBondContact NZ-O 3.3Å; V421-F452 HydrophobicContact CG1-CB 3.98Å; V421-F452 HydrophobicContact CG1-CD2 4.22Å; I424-F452 HydrophobicContact CG2-CE2 4.12Å; S425-F452 WeakPolarHBondContact OG-CD2 3.33Å; A431-F452 HydrophobicContact CB-CE2 4.17Å; L435-F452 HydrophobicContact CD1-CB 4.41Å; L435-F452 HydrophobicContact CD1-CD1 4.31Å; L435-F452 HydrophobicContact CD1-CD2 3.42Å; L435-F452 VanDerWaalsContact CD1-CD2 3.42Å; L435-F452 HydrophobicContact CD1-CE1 4.41Å; L435-F452 HydrophobicContact CD1-CE2 3.6Å; L435-F452 HydrophobicContact CD1-CG 3.8Å; L435-F452 HydrophobicContact CD1-CZ 4.09Å; L435-F452 HydrophobicContact CD2-CE2 4.48Å; L435-F452 HydrophobicContact CD2-CZ 4.45Å; L435-F452 HydrophobicContact CG-CD1 4.27Å; L435-F452 HydrophobicContact CG-CD2 4.05Å; L435-F452 HydrophobicContact CG-CE1 4.01Å; L435-F452 HydrophobicContact CG-CE2 3.82Å; L435-F452 HydrophobicContact CG-CG 4.26Å; L435-F452 HydrophobicContact CG-CZ 3.78Å; F452-C456 WeakPolarHBondContact CD1-SG 3.4Å
453Q97.2Very high97.8Very high2 Ų210.4 Ų10.41%0.0096%0.064CC..SBendtrans-78.7-23.3-175.568.7179.7-58.400114.1S143 A189 S226 S236 L349S143-Q453 WeakPolarHBondContact OG-CB 3.41Å; A189-Q453 HydrophobicContact CB-CB 4.02Å; S226-Q453 PolarHBondContact O-NE2 3.47Å; S226-Q453 VanDerWaalsContact O-NE2 3.13Å; S226-Q453 PolarHBondContact OG-OE1 2.89Å; S236-Q453 WeakPolarHBondContact CB-O 3.44Å; S236-Q453 PolarHBondContact OG-O 3.35Å; L349-Q453 HydrophobicContact CD2-CG 4.35Å
454G97.7Very high97.7Very high0 Ų013.1 Ų13.10%07%0.068CC..SBendtrans-70.6173.7176.300000114.2K192 S236 S347K192-G454 PolarHBondContact NZ-O 2.96Å; S236-G454 VanDerWaalsContact OG-CA 3.31Å; S236-G454 WeakPolarHBondContact OG-CA 3.48Å; S347-G454 CarbonylContact O-C 3.47Å; S347-G454 WeakPolarHBondContact O-CA 3.3Å
455K98.4Very high97.6Very high7 Ų719.5 Ų19.53%0.0310%0.097CC..  trans-87.9102.9167.6179.1166.7176.2-159.20109.9I235 S236 V345 L346 S347 G481 D522I235-K455 HydrophobicContact CG2-CB 4.04Å; I235-K455 HydrophobicContact CG2-CD 3.92Å; S236-K455 PolarHBondContact OG-N 3.22Å; V345-K455 VanDerWaalsContact O-CD 3.29Å; V345-K455 WeakPolarHBondContact O-CD 3.3Å; V345-K455 WeakPolarHBondContact O-CE 3.34Å; V345-K455 PolarHBondContact O-NZ 3.5Å; L346-K455 HydrophobicContact CD2-CG 4.27Å; S347-K455 PolarHBondContact N-O 3.1Å; S347-K455 PolarHBondContact O-N 3.04Å; S347-K455 PolarHBondContact OG-N 3.18Å; K455-G481 WeakPolarHBondContact CG-O 3.44Å; K455-D522 IonicContact NZ-OD1 2.77Å; K455-D522 PolarHBondContact NZ-OD1 3.09Å; K455-D522 IonicContact NZ-OD2 2.77Å
456C98.4Very high97.5Very high1 Ų120.2 Ų20.21%0.00711%0.105CC..PPolyproline II helixtrans-85.2169.4-179.3-59.10000113.3L435 I437 L449 F452 A482 A483L435-C456 CarbonylContact O-C 3.48Å; L435-C456 VanDerWaalsContact O-CA 3.31Å; L435-C456 WeakPolarHBondContact O-CA 3.37Å; L435-C456 VanDerWaalsContact O-CB 3.28Å; L435-C456 WeakPolarHBondContact O-CB 3.36Å; I437-C456 HydrophobicContact CG1-CB 4.5Å; L449-C456 HydrophobicContact CD2-CB 3.52Å; F452-C456 WeakPolarHBondContact CD1-SG 3.4Å; C456-A482 WeakPolarHBondContact O-CA 3.31Å; C456-A483 PolarHBondContact O-N 3.49Å
457I98.8Very high97.4Very high1 Ų122.2 Ų22.21%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-100.9133162.4-59.1166.2000108.4L346 I401 L435 C436 I437 A483 V485 I524 M598L346-I457 HydrophobicContact CD1-CD1 3.7Å; L346-I457 HydrophobicContact CD1-CG1 3.91Å; L346-I457 HydrophobicContact CD2-CG1 3.92Å; I401-I457 HydrophobicContact CD1-CD1 3.86Å; I401-I457 HydrophobicContact CG2-CD1 4.4Å; L435-I457 PolarHBondContact O-N 3.33Å; C436-I457 CarbonylContact C-O 3.54Å; C436-I457 WeakPolarHBondContact CA-O 3.1Å; C436-I457 HydrophobicContact CB-CB 4.29Å; I437-I457 PolarHBondContact N-O 3.12Å; I457-A483 CarbonylContact C-O 3.53Å; I457-A483 WeakPolarHBondContact CA-O 3.49Å; I457-A483 HydrophobicContact CG1-CB 4.19Å; I457-V485 HydrophobicContact CG2-CG2 3.55Å; I457-I524 HydrophobicContact CD1-CD1 3.62Å; I457-I524 HydrophobicContact CG1-CD1 3.85Å; I457-I524 HydrophobicContact CG2-CD1 3.92Å; I457-M598 HydrophobicContact CD1-SD 4.45Å
458A98.6Very high97.4Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-93.8116.4168.600000109.8I445 L449 L477 A482 A483 V485I445-A458 HydrophobicContact CG2-CB 3.69Å; L449-A458 HydrophobicContact CD1-CB 4.5Å; A458-L477 HydrophobicContact CB-CD1 3.85Å; A458-L477 HydrophobicContact CB-CD2 3.74Å; A458-L477 HydrophobicContact CB-CG 4.34Å; A458-A482 HydrophobicContact CB-CB 4.34Å; A458-A483 PolarHBondContact N-O 3.47Å; A458-V485 PolarHBondContact O-N 3.19Å
459N98Very high97.3Very high10 Ų1030.6 Ų30.65%0.05316%0.156CC..EExtended strand (participates in β ladder)trans-115.7108.7-178.7-171.922.6000109.1C436 I437 D438 S439 V485C436-N459 VanDerWaalsContact SG-CB 3.55Å; I437-N459 PolarHBondContact O-N 3.2Å; D438-N459 CarbonylContact C-O 3.54Å; D438-N459 WeakPolarHBondContact CA-O 3.35Å; D438-N459 HydrophobicContact CB-CB 4.08Å; S439-N459 PolarHBondContact N-O 3.28Å; N459-V485 HydrophobicContact CB-CB 4.31Å; N459-V485 HydrophobicContact CB-CG2 4.05Å; N459-V485 WeakPolarHBondContact OD1-CB 3.31Å
460S95.7Very high97.3Very high27 Ų2730.7 Ų30.719%0.18916%0.156CC..EExtended strand (participates in β ladder)cis-138.8175.3-257.20000111.1V485 M487S460-V485 CarbonylContact C-O 3.59Å; S460-V485 VanDerWaalsContact CA-O 3.29Å; S460-V485 WeakPolarHBondContact CA-O 3.32Å; S460-V485 VanDerWaalsContact CB-O 3.26Å; S460-V485 WeakPolarHBondContact CB-O 3.46Å; S460-M487 VanDerWaalsContact OG-CG 3.27Å; S460-M487 WeakPolarHBondContact OG-CG 3.49Å; S460-M487 PolarHBondContact OG-SD 2.97Å; S460-M487 VanDerWaalsContact OG-SD 3.32Å
461I97.2Very high97.3Very high10 Ų1029.6 Ų29.65%0.05115%0.151CC..EExtended strand (participates in β ladder)trans-118.8152.8164.756171.7000109.7F470 A474 L477 V484 V485 A486 M487 L512I461-F470 HydrophobicContact CB-CD2 4.16Å; I461-F470 HydrophobicContact CB-CE2 4.05Å; I461-F470 HydrophobicContact CD1-CD2 4.18Å; I461-F470 HydrophobicContact CD1-CE2 3.57Å; I461-F470 HydrophobicContact CD1-CZ 3.9Å; I461-F470 HydrophobicContact CG1-CD2 4.29Å; I461-F470 HydrophobicContact CG1-CE2 3.69Å; I461-F470 HydrophobicContact CG1-CZ 4.42Å; I461-A474 HydrophobicContact CD1-CB 4.2Å; I461-L477 HydrophobicContact CG2-CD1 3.5Å; I461-V484 HydrophobicContact CD1-CB 4.12Å; I461-V484 HydrophobicContact CD1-CG1 4.45Å; I461-V484 HydrophobicContact CD1-CG2 4.09Å; I461-V484 HydrophobicContact CG1-CB 4.41Å; I461-V485 PolarHBondContact N-O 3.47Å; I461-A486 HydrophobicContact CG1-CB 4.48Å; I461-A486 WeakPolarHBondContact O-CA 3.28Å; I461-M487 PolarHBondContact O-N 3.49Å; I461-L512 HydrophobicContact CD1-CD2 3.96Å
462S97.1Very high97.2Very high29 Ų2933 Ų3320%0.20317%0.168CC..  trans-152.9165.8178.9690000111.9K464 F470 F489S462-K464 PolarHBondContact O-N 3.03Å; S462-K464 WeakPolarHBondContact OG-CB 3.5Å; S462-F470 WeakPolarHBondContact O-CD2 3.4Å; S462-F489 WeakPolarHBondContact CB-O 3.09Å
463L97.6Very high97.2Very high0 Ų034.1 Ų34.10%018%0.177CC..SBendtrans-84.25.7177.6-73.1168.4000113E465 G466 F470 F489 D490 E491 I504 R507 C508 L511L463-E465 PolarHBondContact O-N 2.86Å; L463-E465 VanDerWaalsContact O-N 3.14Å; L463-G466 PolarHBondContact O-N 2.87Å; L463-F470 HydrophobicContact CD2-CB 3.78Å; L463-F470 HydrophobicContact CD2-CD1 3.91Å; L463-F470 HydrophobicContact CD2-CD2 4.29Å; L463-F470 HydrophobicContact CD2-CG 3.74Å; L463-F470 HydrophobicContact CG-CD2 4.38Å; L463-F470 HydrophobicContact CG-CG 4.31Å; L463-F489 PolarHBondContact N-O 2.76Å; L463-D490 HydrophobicContact CB-CB 3.83Å; L463-E491 VanDerWaalsContact O-CD 3.29Å; L463-E491 WeakPolarHBondContact O-CG 3.47Å; L463-E491 PolarHBondContact O-N 2.84Å; L463-I504 HydrophobicContact CD1-CG2 4.49Å; L463-R507 HydrophobicContact CD1-CB 4.22Å; L463-R507 HydrophobicContact CD1-CG 3.89Å; L463-C508 VanDerWaalsContact CD1-SG 3.6Å; L463-L511 HydrophobicContact CD1-CD1 4.45Å; L463-L511 HydrophobicContact CD2-CD1 3.71Å
464K95.3Very high97.2Very high121 Ų12134 Ų3453%0.52618%0.176SC..THydrogen-bonded Turntrans-49.6-40.3-178.6178.3-178.4173.5-165.20113.8S462 F489S462-K464 PolarHBondContact O-N 3.03Å; S462-K464 WeakPolarHBondContact OG-CB 3.5Å; K464-F489 HydrophobicContact CB-CD2 3.61Å; K464-F489 HydrophobicContact CB-CE2 3.78Å; K464-F489 HydrophobicContact CB-CG 4.44Å; K464-F489 HydrophobicContact CD-CD2 4.29Å; K464-F489 HydrophobicContact CD-CE2 3.8Å; K464-F489 HydrophobicContact CD-CZ 3.93Å; K464-F489 HydrophobicContact CG-CD2 3.94Å; K464-F489 HydrophobicContact CG-CE2 3.54Å; K464-F489 HydrophobicContact CG-CZ 4.16Å; K464-F489 PolarHBondContact N-O 2.91Å
465E94.4Very high97.2Very high142 Ų14238.3 Ų38.366%0.66420%0.195SC*.THydrogen-bonded Turntrans-99.113.1-177.5-59.1-171.3168.600113.3L463 N469L463-E465 PolarHBondContact O-N 2.86Å; L463-E465 VanDerWaalsContact O-N 3.14Å; E465-N469 HydrophobicContact CB-CB 4.23Å; E465-N469 PolarHBondContact O-ND2 3.01Å
466G95.8Very high97.1Very high16 Ų1643.4 Ų43.417%0.16521%0.214CC..  trans93.7165.5-179.200000114.5L463 F470 E491L463-G466 PolarHBondContact O-N 2.87Å; G466-F470 PolarHBondContact O-N 2.91Å; G466-E491 WeakPolarHBondContact CA-OE1 3.42Å
467E97Very high97.1Very high59 Ų5943.4 Ų43.428%0.27621%0.214SC..Hα-helixtrans-63-43.1-172.4-178.1167.3146.300114.4F470 I471 R507 L511 R515E467-F470 WeakPolarHBondContact O-CB 3.3Å; E467-F470 PolarHBondContact O-N 3.06Å; E467-I471 HydrophobicContact CG-CD1 3.84Å; E467-I471 HydrophobicContact CG-CG1 4.49Å; E467-I471 VanDerWaalsContact O-CG1 3.31Å; E467-I471 WeakPolarHBondContact O-CG1 3.42Å; E467-I471 PolarHBondContact O-N 3.44Å; E467-R507 IonicContact OE2-NE 2.75Å; E467-R507 IonicContact OE2-NH2 3.57Å; E467-L511 HydrophobicContact CG-CD1 3.84Å; E467-L511 HydrophobicContact CG-CD2 3.85Å; E467-L511 VanDerWaalsContact OE1-CD2 3.26Å; E467-L511 WeakPolarHBondContact OE1-CD2 3.19Å; E467-R515 IonicContact OE1-CZ 3.06Å; E467-R515 IonicContact OE1-NH1 2.65Å; E467-R515 PolarHBondContact OE1-NH1 3.45Å
468E97.3Very high97Very high100 Ų10046.2 Ų46.247%0.46723%0.226SC..Hα-helixtrans-69.4-37.3-175.8-69.7-63.5136.400112I471 N472 R515E468-I471 PolarHBondContact O-N 3.44Å; E468-N472 WeakPolarHBondContact O-CB 3.46Å; E468-N472 VanDerWaalsContact O-CG 3.23Å; E468-N472 PolarHBondContact O-N 3.12Å; E468-N472 PolarHBondContact O-ND2 3.46Å; E468-R515 IonicContact OE1-CZ 3.65Å; E468-R515 IonicContact OE1-NH1 3.81Å; E468-R515 PolarHBondContact OE1-NH1 3.39Å; E468-R515 IonicContact OE1-NH2 3.6Å; E468-R515 PolarHBondContact OE1-NH2 2.7Å
469N96.4Very high96.9Very high77 Ų7747.9 Ų47.941%0.41223%0.232SC..Hα-helixtrans-65.9-40.6173.8-76.8-6.5000111.6E465 N472 S473E465-N469 HydrophobicContact CB-CB 4.23Å; E465-N469 PolarHBondContact O-ND2 3.01Å; N469-N472 PolarHBondContact O-N 3.12Å; N469-S473 WeakPolarHBondContact O-CB 3.44Å; N469-S473 PolarHBondContact O-N 2.76Å; N469-S473 PolarHBondContact O-OG 3.42Å
470F97.9Very high96.9Very high3 Ų347.5 Ų47.51%0.01323%0.23CC..Hα-helixtrans-59.7-46.5174.1178.7-98.9000111.8I461 S462 L463 G466 E467 S473 A474 C508 L511 L512I461-F470 HydrophobicContact CB-CD2 4.16Å; I461-F470 HydrophobicContact CB-CE2 4.05Å; I461-F470 HydrophobicContact CD1-CD2 4.18Å; I461-F470 HydrophobicContact CD1-CE2 3.57Å; I461-F470 HydrophobicContact CD1-CZ 3.9Å; I461-F470 HydrophobicContact CG1-CD2 4.29Å; I461-F470 HydrophobicContact CG1-CE2 3.69Å; I461-F470 HydrophobicContact CG1-CZ 4.42Å; S462-F470 WeakPolarHBondContact O-CD2 3.4Å; L463-F470 HydrophobicContact CD2-CB 3.78Å; L463-F470 HydrophobicContact CD2-CD1 3.91Å; L463-F470 HydrophobicContact CD2-CD2 4.29Å; L463-F470 HydrophobicContact CD2-CG 3.74Å; L463-F470 HydrophobicContact CG-CD2 4.38Å; L463-F470 HydrophobicContact CG-CG 4.31Å; G466-F470 PolarHBondContact O-N 2.91Å; E467-F470 WeakPolarHBondContact O-CB 3.3Å; E467-F470 PolarHBondContact O-N 3.06Å; F470-S473 PolarHBondContact O-N 3.18Å; F470-A474 VanDerWaalsContact O-CB 3.25Å; F470-A474 WeakPolarHBondContact O-CB 3.2Å; F470-A474 PolarHBondContact O-N 3.26Å; F470-C508 HydrophobicContact CZ-CB 4.08Å; F470-L511 HydrophobicContact CD1-CB 4.33Å; F470-L511 HydrophobicContact CD1-CD1 4.07Å; F470-L511 HydrophobicContact CE1-CB 4.01Å; F470-L511 HydrophobicContact CE1-CD1 4.25Å; F470-L512 HydrophobicContact CE1-CD1 4.48Å; F470-L512 HydrophobicContact CE1-CD2 3.85Å; F470-L512 HydrophobicContact CE1-CG 3.8Å; F470-L512 HydrophobicContact CZ-CD1 3.93Å; F470-L512 HydrophobicContact CZ-CD2 3.86Å; F470-L512 HydrophobicContact CZ-CG 3.75Å
471I98Very high97Very high3 Ų346.6 Ų46.62%0.01523%0.225CC..Hα-helixtrans-64.3-44.7178.2-71170.1000111.7E467 E468 A474 K475 L511 R515 V516E467-I471 HydrophobicContact CG-CD1 3.84Å; E467-I471 HydrophobicContact CG-CG1 4.49Å; E467-I471 VanDerWaalsContact O-CG1 3.31Å; E467-I471 WeakPolarHBondContact O-CG1 3.42Å; E467-I471 PolarHBondContact O-N 3.44Å; E468-I471 PolarHBondContact O-N 3.44Å; I471-A474 PolarHBondContact O-N 3.46Å; I471-K475 HydrophobicContact CG2-CD 4.29Å; I471-K475 HydrophobicContact CG2-CG 4.48Å; I471-K475 WeakPolarHBondContact O-CG 3.49Å; I471-K475 PolarHBondContact O-N 2.75Å; I471-L511 HydrophobicContact CD1-CD2 4.27Å; I471-R515 HydrophobicContact CD1-CB 4.49Å; I471-V516 HydrophobicContact CB-CG2 4.5Å; I471-V516 HydrophobicContact CG1-CG2 4.43Å; I471-V516 HydrophobicContact CG2-CG2 4.07Å
472N96.9Very high97.1Very high82 Ų8246.3 Ų46.344%0.43922%0.224SC..Hα-helixtrans-63.4-43.4179.6-73.2-27.9000111.4E468 N469 K475 R476E468-N472 WeakPolarHBondContact O-CB 3.46Å; E468-N472 VanDerWaalsContact O-CG 3.23Å; E468-N472 PolarHBondContact O-N 3.12Å; E468-N472 PolarHBondContact O-ND2 3.46Å; N469-N472 PolarHBondContact O-N 3.12Å; N472-K475 PolarHBondContact O-N 3.09Å; N472-R476 WeakPolarHBondContact O-CG 3.37Å; N472-R476 PolarHBondContact O-N 3.29Å; N472-R476 VanDerWaalsContact O-N 3.14Å
473S97.7Very high97.1Very high27 Ų2744.9 Ų44.919%0.18921%0.214CC..Hα-helixtrans-61-48.1174.4-55.10000110.8N469 F470 K475 R476 L477N469-S473 WeakPolarHBondContact O-CB 3.44Å; N469-S473 PolarHBondContact O-N 2.76Å; N469-S473 PolarHBondContact O-OG 3.42Å; F470-S473 PolarHBondContact O-N 3.18Å; S473-K475 PolarHBondContact O-N 3.15Å; S473-R476 PolarHBondContact O-N 2.92Å; S473-L477 WeakPolarHBondContact O-CG 3.3Å; S473-L477 PolarHBondContact O-N 3.19Å
474A97.9Very high97.2Very high0 Ų044.9 Ų44.90%021%0.214CC..Hα-helixtrans-60.2-43.1178.400000112.5I461 F470 I471 R476 L477 K478 L512 V516 F518I461-A474 HydrophobicContact CD1-CB 4.2Å; F470-A474 VanDerWaalsContact O-CB 3.25Å; F470-A474 WeakPolarHBondContact O-CB 3.2Å; F470-A474 PolarHBondContact O-N 3.26Å; I471-A474 PolarHBondContact O-N 3.46Å; A474-R476 VanDerWaalsContact C-N 3.34Å; A474-R476 PolarHBondContact O-N 3.03Å; A474-L477 PolarHBondContact O-N 2.86Å; A474-K478 WeakPolarHBondContact O-CB 3.36Å; A474-K478 PolarHBondContact O-N 3.26Å; A474-L512 HydrophobicContact CB-CD2 3.6Å; A474-V516 HydrophobicContact CB-CG1 4.18Å; A474-V516 HydrophobicContact CB-CG2 4.04Å; A474-F518 HydrophobicContact CB-CE2 3.98Å; A474-F518 VanDerWaalsContact O-CE2 3.28Å; A474-F518 WeakPolarHBondContact O-CE2 3.39Å
475K96.6Very high97.3Very high90 Ų9039.3 Ų39.339%0.39119%0.19SC..Hα-helixtrans-59.7-42.7175.6-78.2179.8175.5-1750112.1I471 N472 S473 R479 V516I471-K475 HydrophobicContact CG2-CD 4.29Å; I471-K475 HydrophobicContact CG2-CG 4.48Å; I471-K475 WeakPolarHBondContact O-CG 3.49Å; I471-K475 PolarHBondContact O-N 2.75Å; N472-K475 PolarHBondContact O-N 3.09Å; S473-K475 PolarHBondContact O-N 3.15Å; K475-R479 PolarHBondContact O-N 3.05Å; K475-R479 VanDerWaalsContact O-N 3.17Å; K475-V516 HydrophobicContact CG-CG1 4Å; K475-V516 HydrophobicContact CG-CG2 4.46Å
476R96.5Very high97.5Very high114 Ų11432.6 Ų32.643%0.4316%0.159SC..Hα-helixtrans-64.7-48.2176.8-70.8179.867.1125.5-2.3111.2E446 N472 S473 A474 K478 R479 Y480E446-R476 IonicContact OE1-CZ 3.61Å; E446-R476 IonicContact OE1-NE 3.49Å; E446-R476 PolarHBondContact OE1-NE 3.05Å; E446-R476 IonicContact OE1-NH2 3.41Å; E446-R476 PolarHBondContact OE1-NH2 3.21Å; E446-R476 IonicContact OE2-CZ 3.56Å; E446-R476 IonicContact OE2-NE 3.19Å; E446-R476 IonicContact OE2-NH2 2.93Å; E446-R476 PolarHBondContact OE2-NH2 3.34Å; N472-R476 WeakPolarHBondContact O-CG 3.37Å; N472-R476 PolarHBondContact O-N 3.29Å; N472-R476 VanDerWaalsContact O-N 3.14Å; S473-R476 PolarHBondContact O-N 2.92Å; A474-R476 VanDerWaalsContact C-N 3.34Å; A474-R476 PolarHBondContact O-N 3.03Å; R476-K478 VanDerWaalsContact C-N 3.32Å; R476-K478 PolarHBondContact O-N 3.15Å; R476-R479 WeakPolarHBondContact O-CB 3.39Å; R476-R479 PolarHBondContact O-N 3.37Å; R476-R479 VanDerWaalsContact O-N 3.08Å; R476-Y480 VanDerWaalsContact O-CD2 3.25Å; R476-Y480 WeakPolarHBondContact O-CD2 3.42Å; R476-Y480 PolarHBondContact O-N 3.44Å
477L98.2Very high97.6Very high0 Ų033.8 Ų33.80%016%0.161CC..Hα-helixtrans-61.5-37.4177.6-65.2176.1000112.9L442 I445 L449 A458 I461 S473 A474 R479 Y480 G481 A482 V484L442-L477 HydrophobicContact CD1-CD1 4.34Å; L442-L477 HydrophobicContact CD1-CD2 3.92Å; L442-L477 HydrophobicContact CD1-CG 4.12Å; I445-L477 HydrophobicContact CG2-CD2 3.88Å; L449-L477 HydrophobicContact CD1-CD2 3.59Å; A458-L477 HydrophobicContact CB-CD1 3.85Å; A458-L477 HydrophobicContact CB-CD2 3.74Å; A458-L477 HydrophobicContact CB-CG 4.34Å; I461-L477 HydrophobicContact CG2-CD1 3.5Å; S473-L477 WeakPolarHBondContact O-CG 3.3Å; S473-L477 PolarHBondContact O-N 3.19Å; A474-L477 PolarHBondContact O-N 2.86Å; L477-R479 VanDerWaalsContact C-N 3.32Å; L477-R479 PolarHBondContact O-N 3.17Å; L477-Y480 PolarHBondContact O-N 2.91Å; L477-G481 PolarHBondContact O-N 3.25Å; L477-A482 PolarHBondContact O-N 3.3Å; L477-V484 HydrophobicContact CB-CG1 4.05Å; L477-V484 HydrophobicContact CD1-CG1 3.88Å
478K97.1Very high97.6Very high61 Ų6131 Ų3127%0.26515%0.147SC..Hα-helixtrans-61.6-39.6173.6-176.6174166.4178.60111.9A474 R476 Y480 G481 V516 G517 F518A474-K478 WeakPolarHBondContact O-CB 3.36Å; A474-K478 PolarHBondContact O-N 3.26Å; R476-K478 VanDerWaalsContact C-N 3.32Å; R476-K478 PolarHBondContact O-N 3.15Å; K478-Y480 VanDerWaalsContact C-N 3.29Å; K478-Y480 PolarHBondContact O-N 2.87Å; K478-G481 WeakPolarHBondContact O-CA 3.37Å; K478-G481 PolarHBondContact O-N 2.91Å; K478-V516 HydrophobicContact CD-CG1 4.15Å; K478-V516 PolarHBondContact NZ-O 3.02Å; K478-G517 PolarHBondContact NZ-O 2.9Å; K478-F518 HydrophobicContact CB-CD2 4.49Å; K478-F518 HydrophobicContact CB-CE1 4.33Å; K478-F518 HydrophobicContact CB-CE2 3.73Å; K478-F518 HydrophobicContact CB-CZ 3.63Å; K478-F518 HydrophobicContact CD-CD2 4.47Å; K478-F518 HydrophobicContact CD-CE2 4.49Å; K478-F518 HydrophobicContact CG-CE2 4.44Å; K478-F518 HydrophobicContact CG-CZ 4.39Å
479R96.9Very high97.6Very high35 Ų3528.2 Ų28.213%0.13213%0.134CC..Hα-helixtrans-66.7-29.2178.2-165.3-179.2-67.5164.80.7112.6F196 Q199 E203 H239 K475 R476 L477F196-R479 HydrophobicContact CB-CG 4.24Å; F196-R479 HydrophobicContact CD1-CG 4.39Å; F196-R479 HydrophobicContact CD2-CB 3.91Å; F196-R479 VanDerWaalsContact CD2-CD 3.46Å; F196-R479 HydrophobicContact CD2-CG 3.39Å; F196-R479 HydrophobicContact CE2-CB 3.93Å; F196-R479 VanDerWaalsContact CE2-CD 3.47Å; F196-R479 HydrophobicContact CE2-CG 3.74Å; F196-R479 HydrophobicContact CG-CG 3.75Å; F196-R479 HydrophobicContact CZ-CG 4.39Å; Q199-R479 HydrophobicContact CB-CG 4.22Å; E203-R479 IonicContact OE2-CZ 2.71Å; E203-R479 IonicContact OE2-NH2 2.68Å; E203-R479 PolarHBondContact OE2-NH2 3.01Å; H239-R479 PolarHBondContact CD2-O 3.32Å; H239-R479 PolarHBondContact NE2-O 3.4Å; K475-R479 PolarHBondContact O-N 3.05Å; K475-R479 VanDerWaalsContact O-N 3.17Å; R476-R479 WeakPolarHBondContact O-CB 3.39Å; R476-R479 PolarHBondContact O-N 3.37Å; R476-R479 VanDerWaalsContact O-N 3.08Å; L477-R479 VanDerWaalsContact C-N 3.32Å; L477-R479 PolarHBondContact O-N 3.17Å
480Y98Very high97.6Very high2 Ų224.8 Ų24.81%0.00812%0.116CC..THydrogen-bonded Turntrans-76.5-9.4169.3-72.7-69.6000114F158 K192 F196 E446 L449 Q450 R476 L477 K478F158-Y480 HydrophobicContact CD1-CE1 4.11Å; F158-Y480 HydrophobicContact CE1-CD1 4.2Å; F158-Y480 AromaticContact CE1-CE1 3.58Å; F158-Y480 HydrophobicContact CE1-CE1 3.58Å; F158-Y480 HydrophobicContact CE2-CE1 4.49Å; F158-Y480 AromaticContact CZ-CD1 3.94Å; F158-Y480 HydrophobicContact CZ-CD1 3.94Å; F158-Y480 AromaticContact CZ-CE1 3.8Å; F158-Y480 HydrophobicContact CZ-CE1 3.8Å; K192-Y480 WeakPolarHBondContact CE-O 3.45Å; F196-Y480 HydrophobicContact CD2-CD1 4.01Å; F196-Y480 AromaticContact CD2-CE1 3.89Å; F196-Y480 HydrophobicContact CD2-CE1 3.89Å; F196-Y480 HydrophobicContact CD2-CE2 4.44Å; F196-Y480 HydrophobicContact CD2-CG 4.34Å; F196-Y480 HydrophobicContact CE2-CD1 4.19Å; F196-Y480 HydrophobicContact CE2-CD2 4.06Å; F196-Y480 AromaticContact CE2-CE1 3.82Å; F196-Y480 HydrophobicContact CE2-CE1 3.82Å; F196-Y480 AromaticContact CE2-CE2 3.67Å; F196-Y480 HydrophobicContact CE2-CE2 3.67Å; F196-Y480 HydrophobicContact CE2-CG 4.3Å; F196-Y480 AromaticContact CE2-CZ 3.55Å; F196-Y480 HydrophobicContact CZ-CE2 4.47Å; E446-Y480 HydrophobicContact CB-CE2 4.23Å; E446-Y480 HydrophobicContact CG-CE2 3.75Å; L449-Y480 HydrophobicContact CB-CD1 4.35Å; L449-Y480 HydrophobicContact CB-CG 4.29Å; L449-Y480 HydrophobicContact CD1-CD2 4.15Å; L449-Y480 HydrophobicContact CD1-CG 4.16Å; Q450-Y480 HydrophobicContact CG-CE1 3.64Å; Q450-Y480 PolarHBondContact NE2-OH 3.45Å; R476-Y480 VanDerWaalsContact O-CD2 3.25Å; R476-Y480 WeakPolarHBondContact O-CD2 3.42Å; R476-Y480 PolarHBondContact O-N 3.44Å; L477-Y480 PolarHBondContact O-N 2.91Å; K478-Y480 VanDerWaalsContact C-N 3.29Å; K478-Y480 PolarHBondContact O-N 2.87Å
481G97.3Very high97.6Very high8 Ų828.8 Ų28.88%0.08213%0.134CC..THydrogen-bonded Turntrans75.418.1-17700000115H239 K455 L477 K478H239-G481 WeakPolarHBondContact ND1-CA 3.43Å; K455-G481 WeakPolarHBondContact CG-O 3.44Å; L477-G481 PolarHBondContact O-N 3.25Å; K478-G481 WeakPolarHBondContact O-CA 3.37Å; K478-G481 PolarHBondContact O-N 2.91Å
482A98.2Very high97.4Very high3 Ų333.9 Ų33.93%0.02517%0.166CC..  trans-79.6147.5-177.700000112.6L449 C456 A458 L477L449-A482 HydrophobicContact CD1-CB 4Å; L449-A482 HydrophobicContact CD2-CB 3.94Å; C456-A482 WeakPolarHBondContact O-CA 3.31Å; A458-A482 HydrophobicContact CB-CB 4.34Å; L477-A482 PolarHBondContact O-N 3.3Å
483A98.3Very high97.1Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-73.8159.7156.700000109.5L346 C456 I457 A458 D522L346-A483 HydrophobicContact CD2-CB 3.91Å; C456-A483 PolarHBondContact O-N 3.49Å; I457-A483 CarbonylContact C-O 3.53Å; I457-A483 WeakPolarHBondContact CA-O 3.49Å; I457-A483 HydrophobicContact CG1-CB 4.19Å; A458-A483 PolarHBondContact N-O 3.47Å; A483-D522 CarbonylContact C-O 3.56Å; A483-D522 WeakPolarHBondContact CA-O 3.11Å; A483-D522 HydrophobicContact CB-CB 4.38Å; A483-D522 WeakPolarHBondContact CB-O 3.49Å
484V98.5Very high96.9Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-128.8135.7-174-57.20000111.9I461 L477 L512 F518 D522 I524I461-V484 HydrophobicContact CD1-CB 4.12Å; I461-V484 HydrophobicContact CD1-CG1 4.45Å; I461-V484 HydrophobicContact CD1-CG2 4.09Å; I461-V484 HydrophobicContact CG1-CB 4.41Å; L477-V484 HydrophobicContact CB-CG1 4.05Å; L477-V484 HydrophobicContact CD1-CG1 3.88Å; V484-L512 HydrophobicContact CG2-CD1 4.2Å; V484-F518 HydrophobicContact CG1-CE1 3.84Å; V484-F518 HydrophobicContact CG1-CZ 3.67Å; V484-F518 HydrophobicContact CG2-CE1 4.3Å; V484-F518 HydrophobicContact CG2-CZ 4.46Å; V484-D522 PolarHBondContact N-O 2.87Å; V484-I524 PolarHBondContact O-N 3.04Å
485V98.6Very high96.8Very high4 Ų434 Ų342%0.02417%0.167CC..EExtended strand (participates in β ladder)trans-87.1117.5162.9-177.80000108.4I457 A458 N459 S460 I461 I524 D526I457-V485 HydrophobicContact CG2-CG2 3.55Å; A458-V485 PolarHBondContact O-N 3.19Å; N459-V485 HydrophobicContact CB-CB 4.31Å; N459-V485 HydrophobicContact CB-CG2 4.05Å; N459-V485 WeakPolarHBondContact OD1-CB 3.31Å; S460-V485 CarbonylContact C-O 3.59Å; S460-V485 VanDerWaalsContact CA-O 3.29Å; S460-V485 WeakPolarHBondContact CA-O 3.32Å; S460-V485 VanDerWaalsContact CB-O 3.26Å; S460-V485 WeakPolarHBondContact CB-O 3.46Å; I461-V485 PolarHBondContact N-O 3.47Å; V485-I524 CarbonylContact C-O 3.51Å; V485-I524 WeakPolarHBondContact CA-O 3.22Å; V485-I524 HydrophobicContact CG2-CB 4.27Å; V485-I524 HydrophobicContact CG2-CG2 4.34Å; V485-D526 HydrophobicContact CG1-CB 3.7Å
486A98.1Very high96.6Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-101.6114.1172.600000109.4I461 C508 L512 I524 F525 D526I461-A486 HydrophobicContact CG1-CB 4.48Å; I461-A486 WeakPolarHBondContact O-CA 3.28Å; A486-C508 HydrophobicContact CB-CB 4.46Å; A486-L512 HydrophobicContact CB-CD1 4.3Å; A486-I524 PolarHBondContact N-O 3.29Å; A486-F525 HydrophobicContact CB-CD1 3.99Å; A486-F525 HydrophobicContact CB-CE1 4.04Å; A486-F525 WeakPolarHBondContact O-CA 3.19Å; A486-D526 PolarHBondContact O-N 2.66Å
487M97.6Very high96.5Very high41 Ų4129.8 Ų29.820%0.20216%0.161CC..EExtended strand (participates in β ladder)trans-78146.7178.3-53.5-161-35.600111.3S460 I461 F489 D526S460-M487 VanDerWaalsContact OG-CG 3.27Å; S460-M487 WeakPolarHBondContact OG-CG 3.49Å; S460-M487 PolarHBondContact OG-SD 2.97Å; S460-M487 VanDerWaalsContact OG-SD 3.32Å; I461-M487 PolarHBondContact O-N 3.49Å; M487-F489 HydrophobicContact CB-CB 4.29Å; M487-F489 HydrophobicContact CE-CB 3.95Å; M487-F489 HydrophobicContact CE-CD1 3.96Å; M487-F489 HydrophobicContact CE-CG 4.34Å; M487-F489 PolarHBondContact O-N 3.48Å; M487-D526 CarbonylContact C-O 3.55Å; M487-D526 WeakPolarHBondContact CA-O 3.45Å; M487-D526 HydrophobicContact CG-CB 4.45Å
488A97.4Very high96.4Very high0 Ų032.3 Ų32.30%017%0.172CC..SBendtrans-72.661.9168.100000111.3A495 R501 D526 N528A488-A495 HydrophobicContact CB-CB 3.95Å; A488-A495 VanDerWaalsContact O-CB 3.23Å; A488-A495 WeakPolarHBondContact O-CB 3.46Å; A488-A495 PolarHBondContact O-N 3.44Å; A488-R501 HydrophobicContact CB-CG 4.34Å; A488-D526 PolarHBondContact N-O 3.43Å; A488-N528 PolarHBondContact O-ND2 2.86Å
489F96.8Very high96.3Very high43 Ų4335 Ų3519%0.18919%0.186CC..EExtended strand (participates in β ladder)trans-135.1122.2179.3-163.5135.2000108.2S462 L463 K464 M487 Q494S462-F489 WeakPolarHBondContact CB-O 3.09Å; L463-F489 PolarHBondContact N-O 2.76Å; K464-F489 HydrophobicContact CB-CD2 3.61Å; K464-F489 HydrophobicContact CB-CE2 3.78Å; K464-F489 HydrophobicContact CB-CG 4.44Å; K464-F489 HydrophobicContact CD-CD2 4.29Å; K464-F489 HydrophobicContact CD-CE2 3.8Å; K464-F489 HydrophobicContact CD-CZ 3.93Å; K464-F489 HydrophobicContact CG-CD2 3.94Å; K464-F489 HydrophobicContact CG-CE2 3.54Å; K464-F489 HydrophobicContact CG-CZ 4.16Å; K464-F489 PolarHBondContact N-O 2.91Å; M487-F489 HydrophobicContact CB-CB 4.29Å; M487-F489 HydrophobicContact CE-CB 3.95Å; M487-F489 HydrophobicContact CE-CD1 3.96Å; M487-F489 HydrophobicContact CE-CG 4.34Å; M487-F489 PolarHBondContact O-N 3.48Å; F489-Q494 HydrophobicContact CD1-CB 3.75Å; F489-Q494 HydrophobicContact CD1-CG 4.01Å; F489-Q494 HydrophobicContact CE1-CB 3.84Å; F489-Q494 HydrophobicContact CE1-CG 4.46Å; F489-Q494 HydrophobicContact CG-CB 4.36Å; F489-Q494 HydrophobicContact CZ-CB 4.5Å
490D97.1Very high96.3Very high4 Ų435.1 Ų35.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-123.4-171176.8770.2000112.6L463 T492 G493 K500 I504L463-D490 HydrophobicContact CB-CB 3.83Å; D490-T492 PolarHBondContact O-N 3.03Å; D490-T492 VanDerWaalsContact O-N 3.09Å; D490-T492 WeakPolarHBondContact OD1-CA 3.4Å; D490-T492 WeakPolarHBondContact OD1-CB 3.38Å; D490-T492 PolarHBondContact OD1-N 3.16Å; D490-T492 PolarHBondContact OD1-OG1 2.95Å; D490-G493 PolarHBondContact N-O 3.37Å; D490-G493 VanDerWaalsContact N-O 3.15Å; D490-G493 PolarHBondContact O-N 3.09Å; D490-G493 PolarHBondContact OD1-N 3.23Å; D490-K500 IonicContact OD1-NZ 3.89Å; D490-K500 VanDerWaalsContact OD2-CE 3.24Å; D490-K500 WeakPolarHBondContact OD2-CE 3.4Å; D490-K500 IonicContact OD2-NZ 2.8Å; D490-K500 PolarHBondContact OD2-NZ 3.37Å; D490-I504 HydrophobicContact CB-CD1 3.88Å; D490-I504 HydrophobicContact CB-CG1 3.89Å; D490-I504 HydrophobicContact CB-CG2 4.45Å; D490-I504 WeakPolarHBondContact OD2-CG1 3.42Å
491E97.2Very high96.2Very high87 Ų8735 Ų3541%0.40719%0.187SC..THydrogen-bonded Turntrans-60.7-18.1-178.9-54.689.5153.800113.1L463 G466 R507L463-E491 VanDerWaalsContact O-CD 3.29Å; L463-E491 WeakPolarHBondContact O-CG 3.47Å; L463-E491 PolarHBondContact O-N 2.84Å; G466-E491 WeakPolarHBondContact CA-OE1 3.42Å; E491-R507 IonicContact OE1-CZ 2.6Å; E491-R507 IonicContact OE1-NH1 2.73Å; E491-R507 PolarHBondContact OE1-NH1 3.44Å; E491-R507 IonicContact OE1-NH2 2.67Å; E491-R507 PolarHBondContact OE1-NH2 2.8Å; E491-R507 IonicContact OE2-CZ 2.93Å; E491-R507 IonicContact OE2-NH1 3.19Å; E491-R507 PolarHBondContact OE2-NH1 3.19Å; E491-R507 IonicContact OE2-NH2 3.36Å
492T94.5Very high96.2Very high111 Ų11135.9 Ų35.968%0.68119%0.191SC*.THydrogen-bonded Turntrans-92.1-10178.270.60000113.4D490 K500D490-T492 PolarHBondContact O-N 3.03Å; D490-T492 VanDerWaalsContact O-N 3.09Å; D490-T492 WeakPolarHBondContact OD1-CA 3.4Å; D490-T492 WeakPolarHBondContact OD1-CB 3.38Å; D490-T492 PolarHBondContact OD1-N 3.16Å; D490-T492 PolarHBondContact OD1-OG1 2.95Å; T492-K500 WeakPolarHBondContact OG1-CE 3.34Å; T492-K500 PolarHBondContact OG1-NZ 2.67Å
493G91.6Very high96.1Very high23 Ų2341.1 Ų41.124%0.23721%0.214CC..EExtended strand (participates in β ladder)trans124.3-169.5177.500000113.8D490D490-G493 PolarHBondContact N-O 3.37Å; D490-G493 VanDerWaalsContact N-O 3.15Å; D490-G493 PolarHBondContact O-N 3.09Å; D490-G493 PolarHBondContact OD1-N 3.23Å
494Q93.3Very high96.1Very high88 Ų8841.1 Ų41.141%0.41122%0.215SC..EExtended strand (participates in β ladder)trans-76.9133.7178.6-166.517324.200110.8F489 V496 N528F489-Q494 HydrophobicContact CD1-CB 3.75Å; F489-Q494 HydrophobicContact CD1-CG 4.01Å; F489-Q494 HydrophobicContact CE1-CB 3.84Å; F489-Q494 HydrophobicContact CE1-CG 4.46Å; F489-Q494 HydrophobicContact CG-CB 4.36Å; F489-Q494 HydrophobicContact CZ-CB 4.5Å; Q494-V496 PolarHBondContact O-N 2.9Å; Q494-N528 HydrophobicContact CG-CB 4.12Å; Q494-N528 VanDerWaalsContact CG-CG 3.49Å; Q494-N528 VanDerWaalsContact CG-ND2 3.31Å; Q494-N528 WeakPolarHBondContact CG-ND2 3.49Å; Q494-N528 PolarHBondContact NE2-OD1 3.13Å
495A94.2Very high96.1Very high0 Ų041.1 Ų41.10%022%0.215CC..  trans-72122.8178.700000112A488 K500 R501 I504 N528A488-A495 HydrophobicContact CB-CB 3.95Å; A488-A495 VanDerWaalsContact O-CB 3.23Å; A488-A495 WeakPolarHBondContact O-CB 3.46Å; A488-A495 PolarHBondContact O-N 3.44Å; A495-K500 HydrophobicContact CB-CB 4.22Å; A495-K500 HydrophobicContact CB-CG 3.99Å; A495-R501 HydrophobicContact CB-CB 4.31Å; A495-R501 HydrophobicContact CB-CG 3.59Å; A495-I504 HydrophobicContact CB-CD1 3.96Å; A495-N528 PolarHBondContact O-ND2 3.23Å
496V94.3Very high96Very high55 Ų5545.7 Ų45.733%0.33323%0.231SC..  trans-109.9-24.6176.9-57.90000113.4Q494 R501 L530 Y542Q494-V496 PolarHBondContact O-N 2.9Å; V496-R501 PolarHBondContact O-NH1 3.04Å; V496-L530 HydrophobicContact CB-CD1 4.3Å; V496-L530 HydrophobicContact CG1-CD1 3.78Å; V496-Y542 HydrophobicContact CB-CD1 4.35Å; V496-Y542 HydrophobicContact CB-CE1 3.77Å; V496-Y542 HydrophobicContact CG1-CE1 4.24Å; V496-Y542 HydrophobicContact CG2-CE1 4.47Å
497T94.2Very high96Very high60 Ų6049.2 Ų49.237%0.36825%0.245SC..SBendtrans-100.6160.5179.570.80000112.2E499 K500 R501T497-E499 VanDerWaalsContact C-N 3.34Å; T497-E499 PolarHBondContact O-N 3.43Å; T497-K500 PolarHBondContact O-N 3.33Å; T497-K500 WeakPolarHBondContact OG1-CB 3.42Å; T497-K500 PolarHBondContact OG1-N 2.92Å; T497-R501 WeakPolarHBondContact O-CB 3.4Å; T497-R501 VanDerWaalsContact O-CG 3.32Å; T497-R501 WeakPolarHBondContact O-CG 3.34Å; T497-R501 PolarHBondContact O-N 3.36Å; T497-R501 VanDerWaalsContact O-N 3.09Å
498K94.4Very high96Very high53 Ų5347.3 Ų47.323%0.2324%0.235CC..Hα-helixtrans-59.7-44.7177.8-179.2172.279.7-168.90112.4R501 T502 E548 S549 L552K498-R501 PolarHBondContact O-N 3.32Å; K498-T502 WeakPolarHBondContact O-CG2 3.5Å; K498-T502 PolarHBondContact O-N 2.71Å; K498-T502 PolarHBondContact O-OG1 3.32Å; K498-E548 HydrophobicContact CD-CB 3.67Å; K498-E548 WeakPolarHBondContact CD-OE2 3.5Å; K498-E548 IonicContact NZ-OE2 2.91Å; K498-E548 PolarHBondContact NZ-OE2 3.28Å; K498-S549 VanDerWaalsContact CA-OG 3.31Å; K498-S549 WeakPolarHBondContact CA-OG 3.45Å; K498-S549 WeakPolarHBondContact CG-OG 3.34Å; K498-S549 PolarHBondContact O-OG 2.71Å; K498-L552 HydrophobicContact CD-CD1 3.47Å; K498-L552 VanDerWaalsContact CD-CD1 3.47Å; K498-L552 HydrophobicContact CG-CD1 3.73Å
499E95.4Very high96.1Very high117 Ų11748.7 Ų48.755%0.54724%0.241SC..Hα-helixtrans-62.9-47.6-177.2-62.766.1-141.100110.2T497 R501 T502 E503T497-E499 VanDerWaalsContact C-N 3.34Å; T497-E499 PolarHBondContact O-N 3.43Å; E499-R501 PolarHBondContact O-N 2.98Å; E499-T502 PolarHBondContact O-N 2.86Å; E499-T502 PolarHBondContact O-OG1 3.47Å; E499-E503 PolarHBondContact O-N 3.37Å
500K96.6Very high96.1Very high39 Ų3949 Ų4917%0.1724%0.244CC..Hα-helixtrans-68.1-37.7-178.4-169.562.9-174.1171.70112.1D490 T492 A495 T497 T502 E503 I504D490-K500 IonicContact OD1-NZ 3.89Å; D490-K500 VanDerWaalsContact OD2-CE 3.24Å; D490-K500 WeakPolarHBondContact OD2-CE 3.4Å; D490-K500 IonicContact OD2-NZ 2.8Å; D490-K500 PolarHBondContact OD2-NZ 3.37Å; T492-K500 WeakPolarHBondContact OG1-CE 3.34Å; T492-K500 PolarHBondContact OG1-NZ 2.67Å; A495-K500 HydrophobicContact CB-CB 4.22Å; A495-K500 HydrophobicContact CB-CG 3.99Å; T497-K500 PolarHBondContact O-N 3.33Å; T497-K500 WeakPolarHBondContact OG1-CB 3.42Å; T497-K500 PolarHBondContact OG1-N 2.92Å; K500-T502 VanDerWaalsContact C-N 3.35Å; K500-T502 PolarHBondContact O-N 3.08Å; K500-E503 IonicContact NZ-OE1 2.88Å; K500-E503 PolarHBondContact NZ-OE1 3.39Å; K500-E503 IonicContact NZ-OE2 3.8Å; K500-E503 PolarHBondContact O-N 2.86Å; K500-I504 HydrophobicContact CD-CD1 4.26Å; K500-I504 HydrophobicContact CD-CG1 4.49Å; K500-I504 HydrophobicContact CG-CD1 4.03Å; K500-I504 WeakPolarHBondContact O-CG1 3.42Å; K500-I504 PolarHBondContact O-N 3.07Å; K500-I504 VanDerWaalsContact O-N 3.1Å
501R97Very high96.2Very high0 Ų049.4 Ų49.40%025%0.246CC..Hα-helixtrans-58.1-47.1172.6-76.7171.2172.2134.7-4.8111.1A488 A495 V496 T497 K498 E499 C505 L527 N528 F546 S549A488-R501 HydrophobicContact CB-CG 4.34Å; A495-R501 HydrophobicContact CB-CB 4.31Å; A495-R501 HydrophobicContact CB-CG 3.59Å; V496-R501 PolarHBondContact O-NH1 3.04Å; T497-R501 WeakPolarHBondContact O-CB 3.4Å; T497-R501 VanDerWaalsContact O-CG 3.32Å; T497-R501 WeakPolarHBondContact O-CG 3.34Å; T497-R501 PolarHBondContact O-N 3.36Å; T497-R501 VanDerWaalsContact O-N 3.09Å; K498-R501 PolarHBondContact O-N 3.32Å; E499-R501 PolarHBondContact O-N 2.98Å; R501-C505 WeakPolarHBondContact O-CB 3.32Å; R501-C505 PolarHBondContact O-N 3.04Å; R501-C505 VanDerWaalsContact O-N 3.09Å; R501-C505 PolarHBondContact O-SG 3.24Å; R501-L527 WeakPolarHBondContact CD-O 3.29Å; R501-L527 PolarHBondContact NE-O 2.7Å; R501-N528 PolarHBondContact NH2-O 3.34Å; R501-F546 VanDerWaalsContact NH1-N 3.14Å; R501-S549 VanDerWaalsContact CD-OG 3.3Å; R501-S549 WeakPolarHBondContact CD-OG 3.39Å
502T96.4Very high96.2Very high26 Ų2645.2 Ų45.216%0.1623%0.227CC..Hα-helixtrans-64.5-46.417955.20000112.3K498 E499 K500 I504 C505 R506 L552 V553 M556K498-T502 WeakPolarHBondContact O-CG2 3.5Å; K498-T502 PolarHBondContact O-N 2.71Å; K498-T502 PolarHBondContact O-OG1 3.32Å; E499-T502 PolarHBondContact O-N 2.86Å; E499-T502 PolarHBondContact O-OG1 3.47Å; K500-T502 VanDerWaalsContact C-N 3.35Å; K500-T502 PolarHBondContact O-N 3.08Å; T502-I504 PolarHBondContact O-N 3.44Å; T502-C505 PolarHBondContact O-N 3.02Å; T502-R506 PolarHBondContact O-N 3.41Å; T502-L552 HydrophobicContact CG2-CB 3.73Å; T502-L552 HydrophobicContact CG2-CD1 4.07Å; T502-V553 HydrophobicContact CG2-CG2 3.83Å; T502-M556 WeakPolarHBondContact O-CE 3.36Å
503E97Very high96.4Very high112 Ų11241 Ų4152%0.52320%0.201SC..Hα-helixtrans-55.7-49.6178.4-176.7-163.7132.800112.1E499 K500 R506 R507E499-E503 PolarHBondContact O-N 3.37Å; K500-E503 IonicContact NZ-OE1 2.88Å; K500-E503 PolarHBondContact NZ-OE1 3.39Å; K500-E503 IonicContact NZ-OE2 3.8Å; K500-E503 PolarHBondContact O-N 2.86Å; E503-R506 PolarHBondContact O-N 2.75Å; E503-R507 PolarHBondContact O-N 3.31Å; E503-R507 VanDerWaalsContact O-N 3.15Å
504I97.9Very high96.7Very high1 Ų145.8 Ų45.81%0.00522%0.221CC..Hα-helixtrans-65.8-46-179-67.1167.2000110.9L463 D490 A495 K500 T502 R506 R507 C508L463-I504 HydrophobicContact CD1-CG2 4.49Å; D490-I504 HydrophobicContact CB-CD1 3.88Å; D490-I504 HydrophobicContact CB-CG1 3.89Å; D490-I504 HydrophobicContact CB-CG2 4.45Å; D490-I504 WeakPolarHBondContact OD2-CG1 3.42Å; A495-I504 HydrophobicContact CB-CD1 3.96Å; K500-I504 HydrophobicContact CD-CD1 4.26Å; K500-I504 HydrophobicContact CD-CG1 4.49Å; K500-I504 HydrophobicContact CG-CD1 4.03Å; K500-I504 WeakPolarHBondContact O-CG1 3.42Å; K500-I504 PolarHBondContact O-N 3.07Å; K500-I504 VanDerWaalsContact O-N 3.1Å; T502-I504 PolarHBondContact O-N 3.44Å; I504-R506 VanDerWaalsContact C-N 3.29Å; I504-R506 PolarHBondContact O-N 2.67Å; I504-R507 PolarHBondContact O-N 3.43Å; I504-R507 VanDerWaalsContact O-N 3.12Å; I504-C508 PolarHBondContact O-N 3.11Å; I504-C508 PolarHBondContact O-SG 3.36Å
505C97.9Very high96.8Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-62.3-38.1-179.6-65.90000112R501 T502 R507 C508 Y509 F525 L527 V553R501-C505 WeakPolarHBondContact O-CB 3.32Å; R501-C505 PolarHBondContact O-N 3.04Å; R501-C505 VanDerWaalsContact O-N 3.09Å; R501-C505 PolarHBondContact O-SG 3.24Å; T502-C505 PolarHBondContact O-N 3.02Å; C505-R507 PolarHBondContact O-N 3.28Å; C505-C508 PolarHBondContact O-N 3.39Å; C505-Y509 VanDerWaalsContact O-CB 3.32Å; C505-Y509 WeakPolarHBondContact O-CB 3.47Å; C505-Y509 PolarHBondContact O-N 3.29Å; C505-F525 HydrophobicContact CB-CD1 4.1Å; C505-F525 HydrophobicContact CB-CE1 4.02Å; C505-F525 HydrophobicContact CB-CG 4.41Å; C505-F525 HydrophobicContact CB-CZ 4.23Å; C505-F525 WeakPolarHBondContact O-CZ 3.46Å; C505-L527 WeakPolarHBondContact SG-CD2 3.34Å; C505-V553 HydrophobicContact CB-CG1 3.66Å; C505-V553 HydrophobicContact CB-CG2 4.07Å
506R97.6Very high96.9Very high99 Ų9948.1 Ų48.137%0.37423%0.228SC..Hα-helixtrans-58.1-48.9173.1-177.666.4-152-161.43.8111.2T502 E503 I504 Y509 D510 M556T502-R506 PolarHBondContact O-N 3.41Å; E503-R506 PolarHBondContact O-N 2.75Å; I504-R506 VanDerWaalsContact C-N 3.29Å; I504-R506 PolarHBondContact O-N 2.67Å; R506-Y509 WeakPolarHBondContact O-CB 3.19Å; R506-Y509 PolarHBondContact O-N 3.02Å; R506-D510 IonicContact CZ-OD1 3.54Å; R506-D510 IonicContact CZ-OD2 2.66Å; R506-D510 IonicContact NE-OD1 2.72Å; R506-D510 PolarHBondContact NE-OD1 3.12Å; R506-D510 IonicContact NE-OD2 3.46Å; R506-D510 PolarHBondContact NE-OD2 3.46Å; R506-D510 IonicContact NH2-OD1 3.59Å; R506-D510 PolarHBondContact NH2-OD1 3.47Å; R506-D510 IonicContact NH2-OD2 2.76Å; R506-D510 PolarHBondContact NH2-OD2 3Å; R506-D510 PolarHBondContact O-N 3.33Å; R506-M556 HydrophobicContact CB-CE 3.66Å; R506-M556 HydrophobicContact CB-SD 3.66Å; R506-M556 WeakPolarHBondContact CD-SD 3.35Å; R506-M556 HydrophobicContact CG-SD 3.9Å; R506-M556 PolarHBondContact NH1-O 2.94Å
507R97.8Very high96.9Very high75 Ų7547.2 Ų47.228%0.28323%0.23SC..Hα-helixtrans-62.4-47.3-179.8-171.3175.2167.9-146.1-7111L463 E467 E491 E503 I504 C505 Y509 D510 L511L463-R507 HydrophobicContact CD1-CB 4.22Å; L463-R507 HydrophobicContact CD1-CG 3.89Å; E467-R507 IonicContact OE2-NE 2.75Å; E467-R507 IonicContact OE2-NH2 3.57Å; E491-R507 IonicContact OE1-CZ 2.6Å; E491-R507 IonicContact OE1-NH1 2.73Å; E491-R507 PolarHBondContact OE1-NH1 3.44Å; E491-R507 IonicContact OE1-NH2 2.67Å; E491-R507 PolarHBondContact OE1-NH2 2.8Å; E491-R507 IonicContact OE2-CZ 2.93Å; E491-R507 IonicContact OE2-NH1 3.19Å; E491-R507 PolarHBondContact OE2-NH1 3.19Å; E491-R507 IonicContact OE2-NH2 3.36Å; E503-R507 PolarHBondContact O-N 3.31Å; E503-R507 VanDerWaalsContact O-N 3.15Å; I504-R507 PolarHBondContact O-N 3.43Å; I504-R507 VanDerWaalsContact O-N 3.12Å; C505-R507 PolarHBondContact O-N 3.28Å; R507-Y509 VanDerWaalsContact C-N 3.34Å; R507-Y509 PolarHBondContact O-N 3.05Å; R507-D510 PolarHBondContact O-N 3.16Å; R507-L511 HydrophobicContact CG-CD1 4.19Å; R507-L511 VanDerWaalsContact O-CG 3.25Å; R507-L511 WeakPolarHBondContact O-CG 3.49Å; R507-L511 PolarHBondContact O-N 2.9Å; R507-L511 VanDerWaalsContact O-N 3.09Å
508C98.1Very high97Very high1 Ų145 Ų451%0.00722%0.215CC..Hα-helixtrans-58-44.5174.3-71.90000112.1L463 F470 A486 I504 C505 L511 L512 F525L463-C508 VanDerWaalsContact CD1-SG 3.6Å; F470-C508 HydrophobicContact CZ-CB 4.08Å; A486-C508 HydrophobicContact CB-CB 4.46Å; I504-C508 PolarHBondContact O-N 3.11Å; I504-C508 PolarHBondContact O-SG 3.36Å; C505-C508 PolarHBondContact O-N 3.39Å; C508-L511 PolarHBondContact O-N 2.91Å; C508-L512 WeakPolarHBondContact O-CB 3.3Å; C508-L512 VanDerWaalsContact O-CG 3.28Å; C508-L512 WeakPolarHBondContact O-CG 3.31Å; C508-L512 PolarHBondContact O-N 2.66Å; C508-F525 HydrophobicContact CB-CE1 3.85Å
509Y98.3Very high97Very high29 Ų2947 Ų4711%0.11422%0.224CC..Hα-helixtrans-58.5-50.5178.4-176.3-93000111.9C505 R506 R507 L511 L512 T513 P520 C557 P558 C560C505-Y509 VanDerWaalsContact O-CB 3.32Å; C505-Y509 WeakPolarHBondContact O-CB 3.47Å; C505-Y509 PolarHBondContact O-N 3.29Å; R506-Y509 WeakPolarHBondContact O-CB 3.19Å; R506-Y509 PolarHBondContact O-N 3.02Å; R507-Y509 VanDerWaalsContact C-N 3.34Å; R507-Y509 PolarHBondContact O-N 3.05Å; Y509-L511 VanDerWaalsContact C-N 3.32Å; Y509-L511 PolarHBondContact O-N 2.94Å; Y509-L512 PolarHBondContact O-N 3.5Å; Y509-T513 HydrophobicContact CD1-CG2 4.41Å; Y509-T513 HydrophobicContact CD2-CG2 4.23Å; Y509-T513 HydrophobicContact CE1-CG2 4.15Å; Y509-T513 HydrophobicContact CE2-CG2 3.98Å; Y509-T513 HydrophobicContact CG-CG2 4.44Å; Y509-T513 WeakPolarHBondContact O-CB 3.36Å; Y509-T513 WeakPolarHBondContact O-CG2 3.32Å; Y509-T513 PolarHBondContact O-N 3.45Å; Y509-T513 PolarHBondContact O-OG1 3.35Å; Y509-P520 HydrophobicContact CE2-CB 4.13Å; Y509-P520 HydrophobicContact CE2-CG 4.34Å; Y509-C557 VanDerWaalsContact CB-SG 3.55Å; Y509-C557 HydrophobicContact CD2-CB 3.54Å; Y509-C557 HydrophobicContact CE2-CB 3.95Å; Y509-C557 HydrophobicContact CG-CB 3.97Å; Y509-P558 PolarHBondContact OH-O 3.5Å; Y509-C560 WeakPolarHBondContact CD2-SG 3.16Å; Y509-C560 WeakPolarHBondContact CE2-SG 3.45Å
510D98Very high97.1Very high49 Ų4943.4 Ų43.426%0.26221%0.211SC..Hα-helixtrans-64.1-37.6-178.5-71.3-35.3000111.4R506 R507 N514R506-D510 IonicContact CZ-OD1 3.54Å; R506-D510 IonicContact CZ-OD2 2.66Å; R506-D510 IonicContact NE-OD1 2.72Å; R506-D510 PolarHBondContact NE-OD1 3.12Å; R506-D510 IonicContact NE-OD2 3.46Å; R506-D510 PolarHBondContact NE-OD2 3.46Å; R506-D510 IonicContact NH2-OD1 3.59Å; R506-D510 PolarHBondContact NH2-OD1 3.47Å; R506-D510 IonicContact NH2-OD2 2.76Å; R506-D510 PolarHBondContact NH2-OD2 3Å; R506-D510 PolarHBondContact O-N 3.33Å; R507-D510 PolarHBondContact O-N 3.16Å; D510-N514 VanDerWaalsContact O-CB 3.22Å; D510-N514 WeakPolarHBondContact O-CB 3.3Å; D510-N514 PolarHBondContact O-N 2.88Å; D510-N514 PolarHBondContact O-ND2 2.65Å
511L98.4Very high97Very high12 Ų1242.9 Ų42.96%0.06321%0.211CC..Iπ-helixtrans-68.9-48.9176.6-66.4173000112.5L463 E467 F470 I471 R507 C508 Y509 R515 V516L463-L511 HydrophobicContact CD1-CD1 4.45Å; L463-L511 HydrophobicContact CD2-CD1 3.71Å; E467-L511 HydrophobicContact CG-CD1 3.84Å; E467-L511 HydrophobicContact CG-CD2 3.85Å; E467-L511 VanDerWaalsContact OE1-CD2 3.26Å; E467-L511 WeakPolarHBondContact OE1-CD2 3.19Å; F470-L511 HydrophobicContact CD1-CB 4.33Å; F470-L511 HydrophobicContact CD1-CD1 4.07Å; F470-L511 HydrophobicContact CE1-CB 4.01Å; F470-L511 HydrophobicContact CE1-CD1 4.25Å; I471-L511 HydrophobicContact CD1-CD2 4.27Å; R507-L511 HydrophobicContact CG-CD1 4.19Å; R507-L511 VanDerWaalsContact O-CG 3.25Å; R507-L511 WeakPolarHBondContact O-CG 3.49Å; R507-L511 PolarHBondContact O-N 2.9Å; R507-L511 VanDerWaalsContact O-N 3.09Å; C508-L511 PolarHBondContact O-N 2.91Å; Y509-L511 VanDerWaalsContact C-N 3.32Å; Y509-L511 PolarHBondContact O-N 2.94Å; L511-R515 HydrophobicContact CD2-CG 4.39Å; L511-R515 WeakPolarHBondContact O-CB 2.98Å; L511-R515 PolarHBondContact O-N 2.82Å; L511-R515 VanDerWaalsContact O-N 3.11Å; L511-V516 PolarHBondContact O-N 2.66Å; L511-V516 VanDerWaalsContact O-N 3.15Å
512L98.4Very high97Very high0 Ų043.7 Ų43.70%022%0.216CC..Iπ-helixtrans-65.6-43.6-178.3-71.3172.4000111.6I461 F470 A474 V484 A486 C508 Y509 V516 G517 F518 I523I461-L512 HydrophobicContact CD1-CD2 3.96Å; F470-L512 HydrophobicContact CE1-CD1 4.48Å; F470-L512 HydrophobicContact CE1-CD2 3.85Å; F470-L512 HydrophobicContact CE1-CG 3.8Å; F470-L512 HydrophobicContact CZ-CD1 3.93Å; F470-L512 HydrophobicContact CZ-CD2 3.86Å; F470-L512 HydrophobicContact CZ-CG 3.75Å; A474-L512 HydrophobicContact CB-CD2 3.6Å; V484-L512 HydrophobicContact CG2-CD1 4.2Å; A486-L512 HydrophobicContact CB-CD1 4.3Å; C508-L512 WeakPolarHBondContact O-CB 3.3Å; C508-L512 VanDerWaalsContact O-CG 3.28Å; C508-L512 WeakPolarHBondContact O-CG 3.31Å; C508-L512 PolarHBondContact O-N 2.66Å; Y509-L512 PolarHBondContact O-N 3.5Å; L512-V516 WeakPolarHBondContact O-CB 3.38Å; L512-G517 PolarHBondContact O-N 3.34Å; L512-F518 HydrophobicContact CB-CB 4.27Å; L512-F518 HydrophobicContact CB-CD2 4.44Å; L512-F518 HydrophobicContact CD2-CD2 3.9Å; L512-F518 HydrophobicContact CD2-CE2 4.16Å; L512-F518 PolarHBondContact O-N 2.83Å; L512-I523 HydrophobicContact CB-CD1 3.62Å; L512-I523 HydrophobicContact CB-CG1 4.37Å; L512-I523 HydrophobicContact CD1-CD1 3.92Å; L512-I523 HydrophobicContact CD1-CG1 4.03Å; L512-I523 HydrophobicContact CD1-CG2 3.84Å; L512-I523 HydrophobicContact CG-CD1 4.43Å
513T97.7Very high97.1Very high22 Ų2242.5 Ų42.514%0.13521%0.208CC..Iπ-helixtrans-78.4-52.6-177.958.90000112.2Y509 G517 P520 I523Y509-T513 HydrophobicContact CD1-CG2 4.41Å; Y509-T513 HydrophobicContact CD2-CG2 4.23Å; Y509-T513 HydrophobicContact CE1-CG2 4.15Å; Y509-T513 HydrophobicContact CE2-CG2 3.98Å; Y509-T513 HydrophobicContact CG-CG2 4.44Å; Y509-T513 WeakPolarHBondContact O-CB 3.36Å; Y509-T513 WeakPolarHBondContact O-CG2 3.32Å; Y509-T513 PolarHBondContact O-N 3.45Å; Y509-T513 PolarHBondContact O-OG1 3.35Å; T513-G517 WeakPolarHBondContact O-CA 3.49Å; T513-G517 PolarHBondContact O-N 2.79Å; T513-P520 HydrophobicContact CG2-CG 4.08Å; T513-I523 HydrophobicContact CG2-CD1 3.83Å
514N97.2Very high97.2Very high123 Ų12337.1 Ų37.166%0.65818%0.184SC*.Iπ-helixtrans-86.6-36.5-170.3-56.9-48.7000113.8D510D510-N514 VanDerWaalsContact O-CB 3.22Å; D510-N514 WeakPolarHBondContact O-CB 3.3Å; D510-N514 PolarHBondContact O-N 2.88Å; D510-N514 PolarHBondContact O-ND2 2.65Å
515R96.5Very high97.2Very high123 Ų12337.1 Ų37.146%0.46418%0.183SC..Iπ-helixtrans-90.6-35.1-179-67.1-168.268.3-169.8-9113.4E467 E468 I471 L511E467-R515 IonicContact OE1-CZ 3.06Å; E467-R515 IonicContact OE1-NH1 2.65Å; E467-R515 PolarHBondContact OE1-NH1 3.45Å; E468-R515 IonicContact OE1-CZ 3.65Å; E468-R515 IonicContact OE1-NH1 3.81Å; E468-R515 PolarHBondContact OE1-NH1 3.39Å; E468-R515 IonicContact OE1-NH2 3.6Å; E468-R515 PolarHBondContact OE1-NH2 2.7Å; I471-R515 HydrophobicContact CD1-CB 4.49Å; L511-R515 HydrophobicContact CD2-CG 4.39Å; L511-R515 WeakPolarHBondContact O-CB 2.98Å; L511-R515 PolarHBondContact O-N 2.82Å; L511-R515 VanDerWaalsContact O-N 3.11Å
516V96.3Very high97.2Very high15 Ų1538.1 Ų38.19%0.09119%0.189CC..Iπ-helixtrans-100.8-29.5-177.7-175.80000112.5I471 A474 K475 K478 L511 L512 F518I471-V516 HydrophobicContact CB-CG2 4.5Å; I471-V516 HydrophobicContact CG1-CG2 4.43Å; I471-V516 HydrophobicContact CG2-CG2 4.07Å; A474-V516 HydrophobicContact CB-CG1 4.18Å; A474-V516 HydrophobicContact CB-CG2 4.04Å; K475-V516 HydrophobicContact CG-CG1 4Å; K475-V516 HydrophobicContact CG-CG2 4.46Å; K478-V516 HydrophobicContact CD-CG1 4.15Å; K478-V516 PolarHBondContact NZ-O 3.02Å; L511-V516 PolarHBondContact O-N 2.66Å; L511-V516 VanDerWaalsContact O-N 3.15Å; L512-V516 WeakPolarHBondContact O-CB 3.38Å; V516-F518 HydrophobicContact CB-CD2 4.16Å; V516-F518 HydrophobicContact CG1-CD2 3.65Å; V516-F518 HydrophobicContact CG1-CE2 3.76Å
517G95Very high97.2Very high36 Ų3633.4 Ų33.437%0.37117%0.171SC..  trans80.733-178.500000113.7K478 L512 T513K478-G517 PolarHBondContact NZ-O 2.9Å; L512-G517 PolarHBondContact O-N 3.34Å; T513-G517 WeakPolarHBondContact O-CA 3.49Å; T513-G517 PolarHBondContact O-N 2.79Å
518F96.1Very high97Very high13 Ų1330.1 Ų30.16%0.05716%0.159CC..  trans-66.4146166.6-92.1-89.6000110.7A474 K478 V484 L512 V516 D522 I523A474-F518 HydrophobicContact CB-CE2 3.98Å; A474-F518 VanDerWaalsContact O-CE2 3.28Å; A474-F518 WeakPolarHBondContact O-CE2 3.39Å; K478-F518 HydrophobicContact CB-CD2 4.49Å; K478-F518 HydrophobicContact CB-CE1 4.33Å; K478-F518 HydrophobicContact CB-CE2 3.73Å; K478-F518 HydrophobicContact CB-CZ 3.63Å; K478-F518 HydrophobicContact CD-CD2 4.47Å; K478-F518 HydrophobicContact CD-CE2 4.49Å; K478-F518 HydrophobicContact CG-CE2 4.44Å; K478-F518 HydrophobicContact CG-CZ 4.39Å; V484-F518 HydrophobicContact CG1-CE1 3.84Å; V484-F518 HydrophobicContact CG1-CZ 3.67Å; V484-F518 HydrophobicContact CG2-CE1 4.3Å; V484-F518 HydrophobicContact CG2-CZ 4.46Å; L512-F518 HydrophobicContact CB-CB 4.27Å; L512-F518 HydrophobicContact CB-CD2 4.44Å; L512-F518 HydrophobicContact CD2-CD2 3.9Å; L512-F518 HydrophobicContact CD2-CE2 4.16Å; L512-F518 PolarHBondContact O-N 2.83Å; V516-F518 HydrophobicContact CB-CD2 4.16Å; V516-F518 HydrophobicContact CG1-CD2 3.65Å; V516-F518 HydrophobicContact CG1-CE2 3.76Å; F518-D522 HydrophobicContact CD1-CB 4.07Å; F518-I523 HydrophobicContact CB-CD1 4.19Å; F518-I523 HydrophobicContact CB-CG1 4.2Å
519K94.3Very high96.8Very high95 Ų9530.4 Ų30.441%0.41316%0.161SC..  trans-72.2137.1164.6-64.8177.1-175.5170.30108.3Q238 S521 D522Q238-K519 VanDerWaalsContact CD-NZ 3.32Å; Q238-K519 VanDerWaalsContact NE2-NZ 3.18Å; K519-S521 PolarHBondContact O-N 3.16Å; K519-S521 VanDerWaalsContact O-N 3.11Å; K519-D522 PolarHBondContact O-N 3.5Å
520P96.4Very high96.7Very high42 Ų4230.3 Ų30.327%0.27316%0.162SC..G310 helixtrans-52.2-34.7175.6-29.836000113.9Y509 T513 D522 I523 P558 G559 C560Y509-P520 HydrophobicContact CE2-CB 4.13Å; Y509-P520 HydrophobicContact CE2-CG 4.34Å; T513-P520 HydrophobicContact CG2-CG 4.08Å; P520-D522 PolarHBondContact O-N 3.05Å; P520-I523 WeakPolarHBondContact O-CB 3.4Å; P520-I523 PolarHBondContact O-N 2.75Å; P520-I523 VanDerWaalsContact O-N 3.11Å; P520-P558 WeakPolarHBondContact CB-O 3.43Å; P520-G559 CarbonylContact C-O 3.59Å; P520-C560 WeakPolarHBondContact O-CA 3.43Å; P520-C560 PolarHBondContact O-SG 2.99Å; P520-C560 VanDerWaalsContact O-SG 3.39Å
521S95.2Very high96.5Very high27 Ų2729.6 Ų29.619%0.18916%0.159CC..G310 helixtrans-65.2-17.3177.7580000114.9Y343 T344 K519 G559Y343-S521 WeakPolarHBondContact O-CB 3.09Å; T344-S521 WeakPolarHBondContact CB-O 3.49Å; T344-S521 WeakPolarHBondContact CG2-O 3.44Å; T344-S521 PolarHBondContact OG1-O 3.18Å; K519-S521 PolarHBondContact O-N 3.16Å; K519-S521 VanDerWaalsContact O-N 3.11Å; S521-G559 WeakPolarHBondContact CA-O 3.45Å
522D97Very high96.4Very high18 Ų1829 Ų2910%0.09616%0.156CC..G310 helixtrans-973.9177.5-66-30.2000112.1K455 A483 V484 F518 K519 P520K455-D522 IonicContact NZ-OD1 2.77Å; K455-D522 PolarHBondContact NZ-OD1 3.09Å; K455-D522 IonicContact NZ-OD2 2.77Å; A483-D522 CarbonylContact C-O 3.56Å; A483-D522 WeakPolarHBondContact CA-O 3.11Å; A483-D522 HydrophobicContact CB-CB 4.38Å; A483-D522 WeakPolarHBondContact CB-O 3.49Å; V484-D522 PolarHBondContact N-O 2.87Å; F518-D522 HydrophobicContact CD1-CB 4.07Å; K519-D522 PolarHBondContact O-N 3.5Å; P520-D522 PolarHBondContact O-N 3.05Å
523I98.3Very high96Very high0 Ų029.3 Ų29.30%016%0.159CC..EExtended strand (participates in β ladder)trans-105.1122.3178.4-54.2173.1000108.9L512 T513 F518 P520 F525 C560 R561L512-I523 HydrophobicContact CB-CD1 3.62Å; L512-I523 HydrophobicContact CB-CG1 4.37Å; L512-I523 HydrophobicContact CD1-CD1 3.92Å; L512-I523 HydrophobicContact CD1-CG1 4.03Å; L512-I523 HydrophobicContact CD1-CG2 3.84Å; L512-I523 HydrophobicContact CG-CD1 4.43Å; T513-I523 HydrophobicContact CG2-CD1 3.83Å; F518-I523 HydrophobicContact CB-CD1 4.19Å; F518-I523 HydrophobicContact CB-CG1 4.2Å; P520-I523 WeakPolarHBondContact O-CB 3.4Å; P520-I523 PolarHBondContact O-N 2.75Å; P520-I523 VanDerWaalsContact O-N 3.11Å; I523-F525 HydrophobicContact CG2-CE1 4.11Å; I523-F525 HydrophobicContact CG2-CE2 4.12Å; I523-F525 HydrophobicContact CG2-CZ 3.86Å; I523-C560 WeakPolarHBondContact O-CA 3.45Å; I523-R561 PolarHBondContact O-N 2.97Å
524I98.4Very high95.5Very high0 Ų031 Ų310%017%0.169CC..EExtended strand (participates in β ladder)trans-115.5124.8175.4-54.3167.3000106.8I457 V484 V485 A486 R561 M598I457-I524 HydrophobicContact CD1-CD1 3.62Å; I457-I524 HydrophobicContact CG1-CD1 3.85Å; I457-I524 HydrophobicContact CG2-CD1 3.92Å; V484-I524 PolarHBondContact O-N 3.04Å; V485-I524 CarbonylContact C-O 3.51Å; V485-I524 WeakPolarHBondContact CA-O 3.22Å; V485-I524 HydrophobicContact CG2-CB 4.27Å; V485-I524 HydrophobicContact CG2-CG2 4.34Å; A486-I524 PolarHBondContact N-O 3.29Å; I524-R561 CarbonylContact C-O 3.55Å; I524-R561 WeakPolarHBondContact CA-O 3.37Å; I524-R561 HydrophobicContact CG1-CB 4.18Å; I524-R561 HydrophobicContact CG2-CB 4.42Å; I524-M598 HydrophobicContact CD1-CE 4.25Å; I524-M598 HydrophobicContact CD1-SD 3.92Å; I524-M598 HydrophobicContact CG2-SD 4.14Å
525F98.5Very high95Very high1 Ų127.8 Ų27.80%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-92.6132.5175.4-71.8-62.6000110.9A486 C505 C508 I523 L527 V553 C557 C560 R561 F562 S563A486-F525 HydrophobicContact CB-CD1 3.99Å; A486-F525 HydrophobicContact CB-CE1 4.04Å; A486-F525 WeakPolarHBondContact O-CA 3.19Å; C505-F525 HydrophobicContact CB-CD1 4.1Å; C505-F525 HydrophobicContact CB-CE1 4.02Å; C505-F525 HydrophobicContact CB-CG 4.41Å; C505-F525 HydrophobicContact CB-CZ 4.23Å; C505-F525 WeakPolarHBondContact O-CZ 3.46Å; C508-F525 HydrophobicContact CB-CE1 3.85Å; I523-F525 HydrophobicContact CG2-CE1 4.11Å; I523-F525 HydrophobicContact CG2-CE2 4.12Å; I523-F525 HydrophobicContact CG2-CZ 3.86Å; F525-L527 HydrophobicContact CB-CD2 4.22Å; F525-V553 HydrophobicContact CD2-CG1 3.98Å; F525-V553 HydrophobicContact CE2-CG1 4.24Å; F525-C557 HydrophobicContact CE2-CB 3.89Å; F525-C560 HydrophobicContact CD2-CB 3.94Å; F525-C560 HydrophobicContact CE2-CB 3.77Å; F525-R561 PolarHBondContact N-O 3.04Å; F525-F562 HydrophobicContact CB-CD1 4.02Å; F525-F562 HydrophobicContact CB-CE1 4.1Å; F525-F562 HydrophobicContact CD2-CE1 4.26Å; F525-F562 WeakPolarHBondContact O-CA 3.46Å; F525-S563 PolarHBondContact O-N 3.16Å
526D97.5Very high94.5Very high20 Ų2025.6 Ų25.611%0.10716%0.162CC..EExtended strand (participates in β ladder)trans-102.6112.5161.4-171.9-23000108.5V485 A486 M487 A488 N528V485-D526 HydrophobicContact CG1-CB 3.7Å; A486-D526 PolarHBondContact O-N 2.66Å; M487-D526 CarbonylContact C-O 3.55Å; M487-D526 WeakPolarHBondContact CA-O 3.45Å; M487-D526 HydrophobicContact CG-CB 4.45Å; A488-D526 PolarHBondContact N-O 3.43Å; D526-N528 PolarHBondContact O-N 3.49Å; D526-N528 VanDerWaalsContact OD1-CA 3.31Å; D526-N528 WeakPolarHBondContact OD1-CA 3.31Å; D526-N528 PolarHBondContact OD1-N 3.24Å
527L97.3Very high94.1Very high0 Ų032.7 Ų32.70%020%0.195CC..  trans-82.910.8-179.1-52.7179.5000112.8R501 C505 F525 F546 I550 V553 F562R501-L527 WeakPolarHBondContact CD-O 3.29Å; R501-L527 PolarHBondContact NE-O 2.7Å; C505-L527 WeakPolarHBondContact SG-CD2 3.34Å; F525-L527 HydrophobicContact CB-CD2 4.22Å; L527-F546 HydrophobicContact CB-CD2 3.68Å; L527-F546 HydrophobicContact CB-CE2 3.59Å; L527-F546 HydrophobicContact CB-CZ 4.45Å; L527-F546 HydrophobicContact CG-CE2 4.46Å; L527-I550 HydrophobicContact CD1-CG1 3.8Å; L527-V553 HydrophobicContact CD2-CG2 4.27Å; L527-F562 HydrophobicContact CD1-CD1 4.04Å; L527-F562 HydrophobicContact CD1-CE1 4.24Å; L527-F562 HydrophobicContact CD2-CE1 4.46Å; L527-F562 HydrophobicContact CG-CD1 4.22Å
528N93.8Very high93.8Very high6 Ų637.5 Ų37.53%0.03221%0.208CC..  trans62.793.2-172.4-48.4-64.1000112.6A488 Q494 A495 R501 D526 L530A488-N528 PolarHBondContact O-ND2 2.86Å; Q494-N528 HydrophobicContact CG-CB 4.12Å; Q494-N528 VanDerWaalsContact CG-CG 3.49Å; Q494-N528 VanDerWaalsContact CG-ND2 3.31Å; Q494-N528 WeakPolarHBondContact CG-ND2 3.49Å; Q494-N528 PolarHBondContact NE2-OD1 3.13Å; A495-N528 PolarHBondContact O-ND2 3.23Å; R501-N528 PolarHBondContact NH2-O 3.34Å; D526-N528 PolarHBondContact O-N 3.49Å; D526-N528 VanDerWaalsContact OD1-CA 3.31Å; D526-N528 WeakPolarHBondContact OD1-CA 3.31Å; D526-N528 PolarHBondContact OD1-N 3.24Å; N528-L530 HydrophobicContact CB-CD2 4.17Å; N528-L530 HydrophobicContact CB-CG 4.3Å; N528-L530 PolarHBondContact O-N 2.88Å
529V95.5Very high93.6Very high7 Ų739 Ų394%0.04222%0.215CC..  trans-69.7114.9163.4-177.50000108.2F546 G565 N568 V569 F587V529-F546 HydrophobicContact CB-CE2 4.44Å; V529-F546 HydrophobicContact CG2-CD2 3.98Å; V529-F546 HydrophobicContact CG2-CE1 4.2Å; V529-F546 HydrophobicContact CG2-CE2 3.41Å; V529-F546 VanDerWaalsContact CG2-CE2 3.41Å; V529-F546 HydrophobicContact CG2-CZ 3.56Å; V529-G565 WeakPolarHBondContact CB-O 3.45Å; V529-G565 WeakPolarHBondContact CG1-O 3.17Å; V529-N568 HydrophobicContact CB-CB 4.46Å; V529-N568 HydrophobicContact CG1-CB 4.19Å; V529-N568 VanDerWaalsContact O-CB 3.24Å; V529-N568 WeakPolarHBondContact O-CB 3.43Å; V529-N568 PolarHBondContact O-ND2 2.79Å; V529-V569 HydrophobicContact CG1-CB 3.95Å; V529-F587 HydrophobicContact CG1-CE1 4.41Å; V529-F587 HydrophobicContact CG1-CZ 4.17Å; V529-F587 HydrophobicContact CG2-CE1 4.3Å; V529-F587 HydrophobicContact CG2-CZ 4.11Å
530L95.5Very high93.5Very high27 Ų2735.7 Ų35.714%0.14120%0.201CC..  trans-110.6158.8-178.3-58.5174.9000111.1V496 N528 Y542V496-L530 HydrophobicContact CB-CD1 4.3Å; V496-L530 HydrophobicContact CG1-CD1 3.78Å; N528-L530 HydrophobicContact CB-CD2 4.17Å; N528-L530 HydrophobicContact CB-CG 4.3Å; N528-L530 PolarHBondContact O-N 2.88Å; L530-Y542 HydrophobicContact CB-CD2 3.49Å; L530-Y542 VanDerWaalsContact CB-CD2 3.49Å; L530-Y542 HydrophobicContact CB-CE2 4.17Å; L530-Y542 HydrophobicContact CB-CG 4.02Å; L530-Y542 HydrophobicContact CD1-CD1 4.41Å; L530-Y542 HydrophobicContact CD1-CD2 3.85Å; L530-Y542 HydrophobicContact CD1-CE2 3.97Å; L530-Y542 HydrophobicContact CD1-CG 4.06Å; L530-Y542 HydrophobicContact CG-CD2 4.33Å
531T94.4Very high93.3Very high34 Ų3437.8 Ų37.821%0.20921%0.21CC..  trans-72.4133.7-178.4-53.70000112.2T534 N568 F571T531-T534 HydrophobicContact CG2-CG2 3.68Å; T531-N568 WeakPolarHBondContact CA-O 3.1Å; T531-N568 WeakPolarHBondContact CB-O 3.46Å; T531-N568 PolarHBondContact OG1-O 2.88Å; T531-F571 HydrophobicContact CG2-CB 3.77Å; T531-F571 WeakPolarHBondContact OG1-CB 3.28Å
532I94.8Very high93.4Very high0 Ų038.2 Ų38.20%021%0.208CC..  trans-113.5173.1172.564.4175000110.7T534 A543 V569 S572 M583 L623 V624I532-T534 VanDerWaalsContact C-N 3.27Å; I532-T534 PolarHBondContact O-N 3.4Å; I532-A543 HydrophobicContact CD1-CB 3.99Å; I532-A543 HydrophobicContact CG2-CB 3.9Å; I532-V569 HydrophobicContact CD1-CG2 3.88Å; I532-V569 HydrophobicContact CG1-CG2 3.96Å; I532-V569 WeakPolarHBondContact CG1-O 3.28Å; I532-V569 PolarHBondContact N-O 3.3Å; I532-S572 PolarHBondContact O-OG 3.28Å; I532-M583 HydrophobicContact CD1-CE 4.17Å; I532-M583 HydrophobicContact CG1-CE 3.98Å; I532-L623 HydrophobicContact CD1-CG 4.07Å; I532-L623 HydrophobicContact CG1-CG 4.46Å; I532-V624 HydrophobicContact CD1-CB 4.39Å; I532-V624 HydrophobicContact CD1-CG2 3.97Å
533G90.4Very high93.3Very high6 Ų637.5 Ų37.56%0.06220%0.204CC..  trans66.329179.400000113.5S572G533-S572 WeakPolarHBondContact O-CB 3.24Å
534T88.1Confident93.1Very high57 Ų5738.8 Ų38.835%0.3521%0.212SC..SBendtrans-86.7-7.8177.762.20000113T531 I532 I536 H539T531-T534 HydrophobicContact CG2-CG2 3.68Å; I532-T534 VanDerWaalsContact C-N 3.27Å; I532-T534 PolarHBondContact O-N 3.4Å; T534-I536 VanDerWaalsContact C-N 3.31Å; T534-I536 PolarHBondContact OG1-N 2.79Å; T534-H539 PolarHBondContact OG1-ND1 3.14Å
535G85.4Confident93Very high56 Ų5639.8 Ų39.858%0.57722%0.219SC*.SBendtrans79.37.9-171.700000114.8
536I87.4Confident92.9Very high77 Ų7739.9 Ų39.940%0.39522%0.22SC..  trans-101120.6175.6-64.4172.2000106.8T534 E538 H539T534-I536 VanDerWaalsContact C-N 3.31Å; T534-I536 PolarHBondContact OG1-N 2.79Å; I536-E538 HydrophobicContact CG2-CB 4.25Å; I536-E538 WeakPolarHBondContact CG2-OE2 3.44Å; I536-E538 PolarHBondContact O-N 3.38Å; I536-H539 HydrophobicContact CB-CB 4.47Å; I536-H539 WeakPolarHBondContact O-CB 3.4Å; I536-H539 PolarHBondContact O-N 3.19Å
537E87.2Confident92.8Very high164 Ų16439.8 Ų39.877%0.76622%0.219SC*.G310 helixtrans-58.2-38.9-172.8-171.1176-179.700111.8H539 N540E537-H539 PolarHBondContact O-N 2.96Å; E537-H539 VanDerWaalsContact O-N 3.13Å; E537-N540 WeakPolarHBondContact O-CB 3.2Å; E537-N540 PolarHBondContact O-N 2.95Å; E537-N540 VanDerWaalsContact O-N 3.14Å
538E87.7Confident92.7Very high138 Ų13844.2 Ų44.265%0.64524%0.24SC*.G310 helixtrans-62.1-20.8178.6-61.489.1161.200113.7I536 Y542I536-E538 HydrophobicContact CG2-CB 4.25Å; I536-E538 WeakPolarHBondContact CG2-OE2 3.44Å; I536-E538 PolarHBondContact O-N 3.38Å; E538-Y542 WeakPolarHBondContact O-CE1 3.19Å
539H92.1Very high92.9Very high45 Ų4544 Ų4421%0.20824%0.238CC..G310 helixtrans-88.2-16.6-179.4-63.8-174.4000113T534 I536 E537 D541 Y542T534-H539 PolarHBondContact OG1-ND1 3.14Å; I536-H539 HydrophobicContact CB-CB 4.47Å; I536-H539 WeakPolarHBondContact O-CB 3.4Å; I536-H539 PolarHBondContact O-N 3.19Å; E537-H539 PolarHBondContact O-N 2.96Å; E537-H539 VanDerWaalsContact O-N 3.13Å; H539-D541 PolarHBondContact O-N 3.48Å; H539-Y542 HydrophobicContact CB-CD2 3.93Å; H539-Y542 HydrophobicContact CB-CE2 3.77Å; H539-Y542 AromaticContact CD2-CE2 3.38Å; H539-Y542 WeakPolarHBondContact CD2-CE2 3.26Å; H539-Y542 AromaticContact CD2-CZ 3.47Å; H539-Y542 VanDerWaalsContact CD2-CZ 3.47Å; H539-Y542 PolarHBondContact CD2-OH 2.93Å; H539-Y542 AromaticContact CG-CE2 3.54Å; H539-Y542 WeakPolarHBondContact O-CB 3.41Å; H539-Y542 PolarHBondContact O-N 3.24Å
540N91.9Very high92.9Very high25 Ų2543.6 Ų43.613%0.13424%0.236CC..THydrogen-bonded Turntrans-62-33.6-173.6-67.9-17.2000112.3E537 Y542E537-N540 WeakPolarHBondContact O-CB 3.2Å; E537-N540 PolarHBondContact O-N 2.95Å; E537-N540 VanDerWaalsContact O-N 3.14Å; N540-Y542 VanDerWaalsContact C-N 3.34Å; N540-Y542 PolarHBondContact O-N 2.93Å
541D93.8Very high92.8Very high85 Ų8548.5 Ų48.546%0.45526%0.256SS..THydrogen-bonded Turntrans-82.3-4.7-178.6-81.9-23.1000114.6H539 A543 V544 S545 N626H539-D541 PolarHBondContact O-N 3.48Å; D541-A543 PolarHBondContact O-N 2.94Å; D541-V544 PolarHBondContact O-N 3.36Å; D541-S545 WeakPolarHBondContact O-CB 3.16Å; D541-S545 PolarHBondContact O-N 3.05Å; D541-S545 PolarHBondContact O-OG 3.47Å; D541-N626 PolarHBondContact OD1-ND2 2.93Å
542Y96.1Very high92.8Very high37 Ų3750.1 Ų50.115%0.14526%0.263CS..Hα-helixtrans-63.4-41.5-170.4-71.5-9.5000113.9V496 L530 E538 H539 N540 F546V496-Y542 HydrophobicContact CB-CD1 4.35Å; V496-Y542 HydrophobicContact CB-CE1 3.77Å; V496-Y542 HydrophobicContact CG1-CE1 4.24Å; V496-Y542 HydrophobicContact CG2-CE1 4.47Å; L530-Y542 HydrophobicContact CB-CD2 3.49Å; L530-Y542 VanDerWaalsContact CB-CD2 3.49Å; L530-Y542 HydrophobicContact CB-CE2 4.17Å; L530-Y542 HydrophobicContact CB-CG 4.02Å; L530-Y542 HydrophobicContact CD1-CD1 4.41Å; L530-Y542 HydrophobicContact CD1-CD2 3.85Å; L530-Y542 HydrophobicContact CD1-CE2 3.97Å; L530-Y542 HydrophobicContact CD1-CG 4.06Å; L530-Y542 HydrophobicContact CG-CD2 4.33Å; E538-Y542 WeakPolarHBondContact O-CE1 3.19Å; H539-Y542 HydrophobicContact CB-CD2 3.93Å; H539-Y542 HydrophobicContact CB-CE2 3.77Å; H539-Y542 AromaticContact CD2-CE2 3.38Å; H539-Y542 WeakPolarHBondContact CD2-CE2 3.26Å; H539-Y542 AromaticContact CD2-CZ 3.47Å; H539-Y542 VanDerWaalsContact CD2-CZ 3.47Å; H539-Y542 PolarHBondContact CD2-OH 2.93Å; H539-Y542 AromaticContact CG-CE2 3.54Å; H539-Y542 WeakPolarHBondContact O-CB 3.41Å; H539-Y542 PolarHBondContact O-N 3.24Å; N540-Y542 VanDerWaalsContact C-N 3.34Å; N540-Y542 PolarHBondContact O-N 2.93Å; Y542-F546 WeakPolarHBondContact O-CB 3.41Å; Y542-F546 PolarHBondContact O-N 2.96Å
543A94.9Very high92.9Very high2 Ų250.1 Ų50.12%0.01726%0.263CS..Hα-helixtrans-71.9-45.418000000112I532 D541 F546 I547 V569 F587 V624I532-A543 HydrophobicContact CD1-CB 3.99Å; I532-A543 HydrophobicContact CG2-CB 3.9Å; D541-A543 PolarHBondContact O-N 2.94Å; A543-F546 WeakPolarHBondContact O-CB 3.26Å; A543-F546 PolarHBondContact O-N 3.23Å; A543-I547 WeakPolarHBondContact O-CG1 3.46Å; A543-I547 PolarHBondContact O-N 2.85Å; A543-V569 HydrophobicContact CB-CG2 4.33Å; A543-F587 HydrophobicContact CB-CD2 4.24Å; A543-F587 HydrophobicContact CB-CE2 4.16Å; A543-V624 HydrophobicContact CB-CG1 4.36Å; A543-V624 WeakPolarHBondContact CB-O 3.39Å
544V94.9Very high93.1Very high28 Ų2853.3 Ų53.317%0.1728%0.276CS..Hα-helixtrans-59.9-49.1174.6176.40000110.7D541 F546 I547 E548 L625 N626D541-V544 PolarHBondContact O-N 3.36Å; V544-F546 PolarHBondContact O-N 3.19Å; V544-I547 PolarHBondContact O-N 3.42Å; V544-I547 VanDerWaalsContact O-N 3.15Å; V544-E548 HydrophobicContact CG1-CG 4.2Å; V544-E548 WeakPolarHBondContact O-CG 3.33Å; V544-E548 PolarHBondContact O-N 3.27Å; V544-L625 WeakPolarHBondContact CG2-O 3.36Å; V544-N626 HydrophobicContact CG2-CB 4.07Å
545S95Very high93.4Very high21 Ų2157 Ų5715%0.14729%0.289CS..Hα-helixtrans-60.1-34.5178.8-66.40000111.8D541 S549D541-S545 WeakPolarHBondContact O-CB 3.16Å; D541-S545 PolarHBondContact O-N 3.05Å; D541-S545 PolarHBondContact O-OG 3.47Å; S545-S549 WeakPolarHBondContact O-CB 3.33Å; S545-S549 PolarHBondContact O-N 3.4Å; S545-S549 VanDerWaalsContact O-N 3.11Å; S545-S549 PolarHBondContact O-OG 3.24Å
546F96.8Very high93.9Very high2 Ų256.9 Ų56.91%0.00927%0.274CS..Hα-helixtrans-65.2-53174178.3-83.5000110.6R501 L527 V529 Y542 A543 V544 E548 S549 I550 F587 L596R501-F546 VanDerWaalsContact NH1-N 3.14Å; L527-F546 HydrophobicContact CB-CD2 3.68Å; L527-F546 HydrophobicContact CB-CE2 3.59Å; L527-F546 HydrophobicContact CB-CZ 4.45Å; L527-F546 HydrophobicContact CG-CE2 4.46Å; V529-F546 HydrophobicContact CB-CE2 4.44Å; V529-F546 HydrophobicContact CG2-CD2 3.98Å; V529-F546 HydrophobicContact CG2-CE1 4.2Å; V529-F546 HydrophobicContact CG2-CE2 3.41Å; V529-F546 VanDerWaalsContact CG2-CE2 3.41Å; V529-F546 HydrophobicContact CG2-CZ 3.56Å; Y542-F546 WeakPolarHBondContact O-CB 3.41Å; Y542-F546 PolarHBondContact O-N 2.96Å; A543-F546 WeakPolarHBondContact O-CB 3.26Å; A543-F546 PolarHBondContact O-N 3.23Å; V544-F546 PolarHBondContact O-N 3.19Å; F546-E548 PolarHBondContact O-N 2.85Å; F546-S549 WeakPolarHBondContact O-CB 3.19Å; F546-S549 PolarHBondContact O-N 3.24Å; F546-S549 VanDerWaalsContact O-N 3.17Å; F546-I550 HydrophobicContact CD1-CD1 4.1Å; F546-I550 HydrophobicContact CD1-CG1 4.49Å; F546-I550 HydrophobicContact CE1-CD1 3.73Å; F546-I550 HydrophobicContact CE1-CG1 4.28Å; F546-I550 WeakPolarHBondContact O-CG1 3.34Å; F546-I550 PolarHBondContact O-N 2.72Å; F546-F587 HydrophobicContact CD1-CE2 4.09Å; F546-F587 AromaticContact CD1-CZ 3.51Å; F546-F587 HydrophobicContact CD1-CZ 3.51Å; F546-F587 HydrophobicContact CE1-CE1 4.27Å; F546-F587 AromaticContact CE1-CZ 3.67Å; F546-F587 HydrophobicContact CE1-CZ 3.67Å; F546-F587 HydrophobicContact CG-CZ 4.21Å; F546-F587 HydrophobicContact CZ-CZ 4.47Å; F546-L596 HydrophobicContact CE1-CD1 4.36Å; F546-L596 HydrophobicContact CZ-CD1 4.29Å
547I95.6Very high94.3Very high19 Ų1953.3 Ų53.310%0.09726%0.255CS..Hα-helixtrans-58.4-46.2-178.4-67.2164.3000110.8A543 V544 S549 I550 F587 H590 A591 A594 L625A543-I547 WeakPolarHBondContact O-CG1 3.46Å; A543-I547 PolarHBondContact O-N 2.85Å; V544-I547 PolarHBondContact O-N 3.42Å; V544-I547 VanDerWaalsContact O-N 3.15Å; I547-S549 PolarHBondContact O-N 3.32Å; I547-I550 PolarHBondContact O-N 2.78Å; I547-F587 HydrophobicContact CD1-CD2 4.29Å; I547-F587 HydrophobicContact CD1-CE2 4.31Å; I547-F587 HydrophobicContact CG1-CE2 4.23Å; I547-H590 HydrophobicContact CD1-CB 3.88Å; I547-A591 HydrophobicContact CG1-CB 4.21Å; I547-A594 HydrophobicContact CG2-CB 3.65Å; I547-A594 WeakPolarHBondContact O-CB 3.45Å; I547-L625 HydrophobicContact CD1-CD2 4.29Å
548E95.3Very high94.6Very high93 Ų9349.1 Ų49.144%0.43524%0.243SC..Hα-helixtrans-66.4-35178.3-69.7-168.4174.900113.2K498 V544 F546 I550K498-E548 HydrophobicContact CD-CB 3.67Å; K498-E548 WeakPolarHBondContact CD-OE2 3.5Å; K498-E548 IonicContact NZ-OE2 2.91Å; K498-E548 PolarHBondContact NZ-OE2 3.28Å; V544-E548 HydrophobicContact CG1-CG 4.2Å; V544-E548 WeakPolarHBondContact O-CG 3.33Å; V544-E548 PolarHBondContact O-N 3.27Å; F546-E548 PolarHBondContact O-N 2.85Å; E548-I550 VanDerWaalsContact C-N 3.3Å; E548-I550 PolarHBondContact O-N 2.74Å
549S97.3Very high94.8Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-63.2-34.7177.5-76.10000112.7K498 R501 S545 F546 I547 K551 L552 V553K498-S549 VanDerWaalsContact CA-OG 3.31Å; K498-S549 WeakPolarHBondContact CA-OG 3.45Å; K498-S549 WeakPolarHBondContact CG-OG 3.34Å; K498-S549 PolarHBondContact O-OG 2.71Å; R501-S549 VanDerWaalsContact CD-OG 3.3Å; R501-S549 WeakPolarHBondContact CD-OG 3.39Å; S545-S549 WeakPolarHBondContact O-CB 3.33Å; S545-S549 PolarHBondContact O-N 3.4Å; S545-S549 VanDerWaalsContact O-N 3.11Å; S545-S549 PolarHBondContact O-OG 3.24Å; F546-S549 WeakPolarHBondContact O-CB 3.19Å; F546-S549 PolarHBondContact O-N 3.24Å; F546-S549 VanDerWaalsContact O-N 3.17Å; I547-S549 PolarHBondContact O-N 3.32Å; S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.15Å; S549-L552 PolarHBondContact O-N 3.02Å; S549-V553 WeakPolarHBondContact O-CG2 3.32Å; S549-V553 PolarHBondContact O-N 2.76Å
550I96.5Very high95Very high0 Ų042.7 Ų42.70%023%0.225CC..Hα-helixtrans-54.7-50.3-177.6-62.3173.1000110.4L527 F546 I547 E548 L552 V553 K554 F562 A591 A594 L596L527-I550 HydrophobicContact CD1-CG1 3.8Å; F546-I550 HydrophobicContact CD1-CD1 4.1Å; F546-I550 HydrophobicContact CD1-CG1 4.49Å; F546-I550 HydrophobicContact CE1-CD1 3.73Å; F546-I550 HydrophobicContact CE1-CG1 4.28Å; F546-I550 WeakPolarHBondContact O-CG1 3.34Å; F546-I550 PolarHBondContact O-N 2.72Å; I547-I550 PolarHBondContact O-N 2.78Å; E548-I550 VanDerWaalsContact C-N 3.3Å; E548-I550 PolarHBondContact O-N 2.74Å; I550-L552 PolarHBondContact O-N 2.99Å; I550-V553 PolarHBondContact O-N 3.29Å; I550-K554 VanDerWaalsContact O-CB 3.24Å; I550-K554 WeakPolarHBondContact O-CB 3.49Å; I550-K554 PolarHBondContact O-N 2.73Å; I550-F562 HydrophobicContact CG2-CD1 4.42Å; I550-F562 HydrophobicContact CG2-CD2 4.01Å; I550-F562 HydrophobicContact CG2-CE2 4.32Å; I550-F562 HydrophobicContact CG2-CG 4.08Å; I550-A591 HydrophobicContact CD1-CB 4.29Å; I550-A594 HydrophobicContact CB-CB 4.42Å; I550-A594 HydrophobicContact CD1-CB 4.44Å; I550-A594 VanDerWaalsContact CG2-O 3.31Å; I550-A594 WeakPolarHBondContact CG2-O 3.44Å; I550-L596 HydrophobicContact CD1-CB 3.98Å; I550-L596 HydrophobicContact CD1-CD1 4.37Å
551K93.2Very high95.2Very high129 Ų12942.7 Ų42.756%0.56122%0.223SC*.Hα-helixtrans-60.3-46.2-178.1-173.6176178.9-179.30111.9S549 K554 E555S549-K551 VanDerWaalsContact C-N 3.32Å; S549-K551 PolarHBondContact O-N 3.15Å; K551-K554 PolarHBondContact O-N 2.78Å; K551-E555 WeakPolarHBondContact CE-OE1 3.36Å; K551-E555 WeakPolarHBondContact O-CG 3.47Å; K551-E555 PolarHBondContact O-N 2.8Å; K551-E555 VanDerWaalsContact O-N 3.11Å
552L95.5Very high95.4Very high68 Ų6838.7 Ų38.736%0.35620%0.202SC..Hα-helixtrans-64.9-44.3180-65.6179.5000112.3K498 T502 S549 I550 K554 E555 M556K498-L552 HydrophobicContact CD-CD1 3.47Å; K498-L552 VanDerWaalsContact CD-CD1 3.47Å; K498-L552 HydrophobicContact CG-CD1 3.73Å; T502-L552 HydrophobicContact CG2-CB 3.73Å; T502-L552 HydrophobicContact CG2-CD1 4.07Å; S549-L552 PolarHBondContact O-N 3.02Å; I550-L552 PolarHBondContact O-N 2.99Å; L552-K554 VanDerWaalsContact C-N 3.34Å; L552-E555 PolarHBondContact O-N 2.79Å; L552-M556 WeakPolarHBondContact O-CB 3.28Å; L552-M556 PolarHBondContact O-N 3.1Å; L552-M556 VanDerWaalsContact O-N 3.11Å
553V96.4Very high95.4Very high0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-68.4-37.1178.8-178.60000110.6T502 C505 F525 L527 S549 I550 E555 M556 C557 F562T502-V553 HydrophobicContact CG2-CG2 3.83Å; C505-V553 HydrophobicContact CB-CG1 3.66Å; C505-V553 HydrophobicContact CB-CG2 4.07Å; F525-V553 HydrophobicContact CD2-CG1 3.98Å; F525-V553 HydrophobicContact CE2-CG1 4.24Å; L527-V553 HydrophobicContact CD2-CG2 4.27Å; S549-V553 WeakPolarHBondContact O-CG2 3.32Å; S549-V553 PolarHBondContact O-N 2.76Å; I550-V553 PolarHBondContact O-N 3.29Å; V553-E555 VanDerWaalsContact C-N 3.32Å; V553-E555 PolarHBondContact O-N 2.88Å; V553-M556 HydrophobicContact CG2-CE 4.47Å; V553-M556 PolarHBondContact O-N 2.74Å; V553-C557 HydrophobicContact CG1-CB 4.23Å; V553-C557 WeakPolarHBondContact O-CB 3.39Å; V553-C557 PolarHBondContact O-N 3.17Å; V553-F562 HydrophobicContact CB-CE1 3.68Å; V553-F562 HydrophobicContact CB-CZ 3.79Å; V553-F562 HydrophobicContact CG1-CE1 3.56Å; V553-F562 HydrophobicContact CG1-CZ 3.69Å
554K93.3Very high95.4Very high74 Ų7437.1 Ų37.132%0.32220%0.196SC..Hα-helixtrans-64.1-36.7178.3-160.3159.1-160.5160.30112.2I550 K551 L552 F562 G595 D597I550-K554 VanDerWaalsContact O-CB 3.24Å; I550-K554 WeakPolarHBondContact O-CB 3.49Å; I550-K554 PolarHBondContact O-N 2.73Å; K551-K554 PolarHBondContact O-N 2.78Å; L552-K554 VanDerWaalsContact C-N 3.34Å; K554-F562 HydrophobicContact CB-CE2 3.69Å; K554-F562 HydrophobicContact CB-CZ 3.96Å; K554-F562 HydrophobicContact CD-CD2 4.41Å; K554-F562 HydrophobicContact CD-CE2 3.92Å; K554-F562 HydrophobicContact CG-CE2 3.85Å; K554-G595 PolarHBondContact NZ-O 3.41Å; K554-D597 IonicContact NZ-OD1 2.9Å; K554-D597 PolarHBondContact NZ-OD1 2.95Å; K554-D597 IonicContact NZ-OD2 2.64Å
555E94.5Very high95.4Very high135 Ų13536.4 Ų36.463%0.63119%0.194SC*.Hα-helixtrans-68.3-38.7173.1-72.6173.1-168.700112.2K551 L552 V553K551-E555 WeakPolarHBondContact CE-OE1 3.36Å; K551-E555 WeakPolarHBondContact O-CG 3.47Å; K551-E555 PolarHBondContact O-N 2.8Å; K551-E555 VanDerWaalsContact O-N 3.11Å; L552-E555 PolarHBondContact O-N 2.79Å; V553-E555 VanDerWaalsContact C-N 3.32Å; V553-E555 PolarHBondContact O-N 2.88Å
556M95.5Very high95.3Very high53 Ų5335.4 Ų35.426%0.26119%0.187SC..Hα-helixtrans-83.6-29.6-175-178.7174.160.900114.6T502 R506 L552 V553 P558T502-M556 WeakPolarHBondContact O-CE 3.36Å; R506-M556 HydrophobicContact CB-CE 3.66Å; R506-M556 HydrophobicContact CB-SD 3.66Å; R506-M556 WeakPolarHBondContact CD-SD 3.35Å; R506-M556 HydrophobicContact CG-SD 3.9Å; R506-M556 PolarHBondContact NH1-O 2.94Å; L552-M556 WeakPolarHBondContact O-CB 3.28Å; L552-M556 PolarHBondContact O-N 3.1Å; L552-M556 VanDerWaalsContact O-N 3.11Å; V553-M556 HydrophobicContact CG2-CE 4.47Å; V553-M556 PolarHBondContact O-N 2.74Å; M556-P558 WeakPolarHBondContact O-CD 3.35Å
557C96.2Very high95.1Very high1 Ų136.4 Ų36.41%0.00719%0.194CC..SBendtrans-12470-173.6-62.80000110Y509 F525 V553 C560Y509-C557 VanDerWaalsContact CB-SG 3.55Å; Y509-C557 HydrophobicContact CD2-CB 3.54Å; Y509-C557 HydrophobicContact CE2-CB 3.95Å; Y509-C557 HydrophobicContact CG-CB 3.97Å; F525-C557 HydrophobicContact CE2-CB 3.89Å; V553-C557 HydrophobicContact CG1-CB 4.23Å; V553-C557 WeakPolarHBondContact O-CB 3.39Å; V553-C557 PolarHBondContact O-N 3.17Å; C557-C560 PolarHBondContact O-N 3.44Å
558P93.7Very high94.9Very high77 Ų7739 Ų3950%0.521%0.208SC..THydrogen-bonded Turntrans-65.2139.2-171.826.7-35.3000112.3Y509 P520 M556 C560Y509-P558 PolarHBondContact OH-O 3.5Å; P520-P558 WeakPolarHBondContact CB-O 3.43Å; M556-P558 WeakPolarHBondContact O-CD 3.35Å; P558-C560 VanDerWaalsContact C-N 3.33Å
559G92.7Very high94.8Very high45 Ų4534.6 Ų34.646%0.46419%0.188SC..THydrogen-bonded Turntrans88.8-11.717800000115P520 S521P520-G559 CarbonylContact C-O 3.59Å; S521-G559 WeakPolarHBondContact CA-O 3.45Å
560C96.2Very high94.6Very high3 Ų334.6 Ų34.62%0.0219%0.188CC..  trans-75.4164.5173.2-62.60000112.5Y509 P520 I523 F525 C557 P558Y509-C560 WeakPolarHBondContact CD2-SG 3.16Å; Y509-C560 WeakPolarHBondContact CE2-SG 3.45Å; P520-C560 WeakPolarHBondContact O-CA 3.43Å; P520-C560 PolarHBondContact O-SG 2.99Å; P520-C560 VanDerWaalsContact O-SG 3.39Å; I523-C560 WeakPolarHBondContact O-CA 3.45Å; F525-C560 HydrophobicContact CD2-CB 3.94Å; F525-C560 HydrophobicContact CE2-CB 3.77Å; C557-C560 PolarHBondContact O-N 3.44Å; P558-C560 VanDerWaalsContact C-N 3.33Å
561R96.4Very high94.2Very high25 Ų2538.7 Ų38.79%0.09421%0.206CC..EExtended strand (participates in β ladder)trans-116167176.2-55.4-61.7174.5-174.2-1.8111.9G342 T344 I354 I523 I524 F525 D597 M598G342-R561 PolarHBondContact O-NH2 3.31Å; T344-R561 VanDerWaalsContact OG1-CG 3.23Å; T344-R561 WeakPolarHBondContact OG1-CG 3.3Å; T344-R561 PolarHBondContact OG1-NE 2.99Å; T344-R561 VanDerWaalsContact OG1-NE 3.12Å; I354-R561 PolarHBondContact O-NH2 3.03Å; I523-R561 PolarHBondContact O-N 2.97Å; I524-R561 CarbonylContact C-O 3.55Å; I524-R561 WeakPolarHBondContact CA-O 3.37Å; I524-R561 HydrophobicContact CG1-CB 4.18Å; I524-R561 HydrophobicContact CG2-CB 4.42Å; F525-R561 PolarHBondContact N-O 3.04Å; R561-D597 VanDerWaalsContact CA-OD2 3.23Å; R561-D597 WeakPolarHBondContact CA-OD2 3.39Å; R561-D597 HydrophobicContact CB-CB 4.21Å; R561-D597 IonicContact NH1-OD1 3.3Å; R561-D597 PolarHBondContact NH1-OD1 3.34Å; R561-M598 HydrophobicContact CB-CE 4.03Å; R561-M598 HydrophobicContact CG-CE 4.34Å
562F97.2Very high93.9Very high1 Ų134.8 Ų34.80%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-123.9135178.6-61-86.5000111.3F525 L527 I550 V553 K554 L596 D597 M598F525-F562 HydrophobicContact CB-CD1 4.02Å; F525-F562 HydrophobicContact CB-CE1 4.1Å; F525-F562 HydrophobicContact CD2-CE1 4.26Å; F525-F562 WeakPolarHBondContact O-CA 3.46Å; L527-F562 HydrophobicContact CD1-CD1 4.04Å; L527-F562 HydrophobicContact CD1-CE1 4.24Å; L527-F562 HydrophobicContact CD2-CE1 4.46Å; L527-F562 HydrophobicContact CG-CD1 4.22Å; I550-F562 HydrophobicContact CG2-CD1 4.42Å; I550-F562 HydrophobicContact CG2-CD2 4.01Å; I550-F562 HydrophobicContact CG2-CE2 4.32Å; I550-F562 HydrophobicContact CG2-CG 4.08Å; V553-F562 HydrophobicContact CB-CE1 3.68Å; V553-F562 HydrophobicContact CB-CZ 3.79Å; V553-F562 HydrophobicContact CG1-CE1 3.56Å; V553-F562 HydrophobicContact CG1-CZ 3.69Å; K554-F562 HydrophobicContact CB-CE2 3.69Å; K554-F562 HydrophobicContact CB-CZ 3.96Å; K554-F562 HydrophobicContact CD-CD2 4.41Å; K554-F562 HydrophobicContact CD-CE2 3.92Å; K554-F562 HydrophobicContact CG-CE2 3.85Å; F562-L596 HydrophobicContact CB-CD1 3.94Å; F562-D597 WeakPolarHBondContact CD2-OD2 3.47Å; F562-D597 PolarHBondContact N-OD2 3.24Å; F562-D597 PolarHBondContact O-N 3.01Å; F562-M598 WeakPolarHBondContact O-CG 3.48Å; F562-M598 PolarHBondContact O-N 3.27Å
563S96.8Very high93.5Very high5 Ų531.7 Ų31.74%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-133.5172.4173.8-166.70000111F525 M598F525-S563 PolarHBondContact O-N 3.16Å; S563-M598 WeakPolarHBondContact CA-O 3.45Å
564G93.9Very high92.7Very high0 Ų039 Ų390%021%0.206CC..  trans-178.8156.8170.100000113.2I566 I600G564-I566 PolarHBondContact O-N 2.87Å; G564-I566 VanDerWaalsContact O-N 3.14Å; G564-I600 PolarHBondContact O-N 2.89Å
565G94.4Very high92.1Very high13 Ų1339 Ų3913%0.13423%0.227CC..BIsolated β-bridgetrans-7392171.700000112.3V529 S567 N568V529-G565 WeakPolarHBondContact CB-O 3.45Å; V529-G565 WeakPolarHBondContact CG1-O 3.17Å; G565-S567 VanDerWaalsContact C-N 3.28Å; G565-S567 PolarHBondContact O-N 2.93Å; G565-N568 WeakPolarHBondContact O-CB 3.41Å; G565-N568 PolarHBondContact O-N 2.98Å; G565-N568 VanDerWaalsContact O-N 3.11Å
566I94.3Very high91.6Very high1 Ų135.3 Ų35.31%0.00521%0.21CC..G310 helixtrans-63-36.5-172.2-51.7-56.1000111.6G564 N568 V569 H584 F587 L588 L596 I600 V601G564-I566 PolarHBondContact O-N 2.87Å; G564-I566 VanDerWaalsContact O-N 3.14Å; I566-N568 PolarHBondContact O-N 3.02Å; I566-V569 VanDerWaalsContact O-CG1 3.24Å; I566-V569 WeakPolarHBondContact O-CG1 3.44Å; I566-V569 PolarHBondContact O-N 2.77Å; I566-V569 VanDerWaalsContact O-N 3.1Å; I566-H584 HydrophobicContact CG2-CB 4.25Å; I566-F587 HydrophobicContact CD1-CD1 4.22Å; I566-F587 HydrophobicContact CD1-CE1 3.84Å; I566-F587 HydrophobicContact CG2-CD1 4.16Å; I566-L588 HydrophobicContact CD1-CD2 3.78Å; I566-L588 HydrophobicContact CG1-CD2 3.97Å; I566-L588 HydrophobicContact CG2-CD1 4.41Å; I566-L588 HydrophobicContact CG2-CD2 4.32Å; I566-L588 HydrophobicContact CG2-CG 4.15Å; I566-L596 HydrophobicContact CD1-CD2 4.17Å; I566-I600 PolarHBondContact N-O 3.38Å; I566-I600 VanDerWaalsContact N-O 3.15Å; I566-V601 HydrophobicContact CB-CG1 3.8Å; I566-V601 HydrophobicContact CG1-CG1 3.44Å; I566-V601 VanDerWaalsContact CG1-CG1 3.44Å; I566-V601 HydrophobicContact CG2-CG1 4.35Å
567S91.1Very high91Very high22 Ų2237.2 Ų37.215%0.15423%0.225CC..G310 helixtrans-57.7-18.9177.5-83.70000114.8E365 G565 V569E365-S567 WeakPolarHBondContact OE2-CB 3.1Å; E365-S567 PolarHBondContact OE2-OG 3.45Å; G565-S567 VanDerWaalsContact C-N 3.28Å; G565-S567 PolarHBondContact O-N 2.93Å; S567-V569 VanDerWaalsContact C-N 3.32Å; S567-V569 PolarHBondContact O-N 2.89Å
568N92.8Very high90.4Very high74 Ų7440.2 Ų40.240%0.39625%0.249SC..G310 helixtrans-69.8-28.1177.7-69-23.5000112.9V529 T531 G565 I566 S570V529-N568 HydrophobicContact CB-CB 4.46Å; V529-N568 HydrophobicContact CG1-CB 4.19Å; V529-N568 VanDerWaalsContact O-CB 3.24Å; V529-N568 WeakPolarHBondContact O-CB 3.43Å; V529-N568 PolarHBondContact O-ND2 2.79Å; T531-N568 WeakPolarHBondContact CA-O 3.1Å; T531-N568 WeakPolarHBondContact CB-O 3.46Å; T531-N568 PolarHBondContact OG1-O 2.88Å; G565-N568 WeakPolarHBondContact O-CB 3.41Å; G565-N568 PolarHBondContact O-N 2.98Å; G565-N568 VanDerWaalsContact O-N 3.11Å; I566-N568 PolarHBondContact O-N 3.02Å; N568-S570 VanDerWaalsContact C-N 3.29Å; N568-S570 PolarHBondContact O-N 2.99Å
569V93.6Very high90.3Very high0 Ų037 Ų370%023%0.228CC..THydrogen-bonded Turntrans-64.7-34.9-178.580.50000111.7V529 I532 A543 I566 S567 F587V529-V569 HydrophobicContact CG1-CB 3.95Å; I532-V569 HydrophobicContact CD1-CG2 3.88Å; I532-V569 HydrophobicContact CG1-CG2 3.96Å; I532-V569 WeakPolarHBondContact CG1-O 3.28Å; I532-V569 PolarHBondContact N-O 3.3Å; A543-V569 HydrophobicContact CB-CG2 4.33Å; I566-V569 VanDerWaalsContact O-CG1 3.24Å; I566-V569 WeakPolarHBondContact O-CG1 3.44Å; I566-V569 PolarHBondContact O-N 2.77Å; I566-V569 VanDerWaalsContact O-N 3.1Å; S567-V569 VanDerWaalsContact C-N 3.32Å; S567-V569 PolarHBondContact O-N 2.89Å; V569-F587 HydrophobicContact CG1-CB 4.41Å; V569-F587 HydrophobicContact CG1-CG 4.42Å; V569-F587 HydrophobicContact CG2-CD2 3.99Å; V569-F587 HydrophobicContact CG2-CE2 4.37Å; V569-F587 HydrophobicContact CG2-CG 4.35Å
570S92.2Very high90.2Very high0 Ų037.8 Ų37.80%022%0.217CC..THydrogen-bonded Turntrans-102.912.6-17373.80000114.3N568 S572 Y573 R580 H584N568-S570 VanDerWaalsContact C-N 3.29Å; N568-S570 PolarHBondContact O-N 2.99Å; S570-S572 VanDerWaalsContact C-N 3.29Å; S570-S572 PolarHBondContact O-N 3.26Å; S570-Y573 PolarHBondContact O-N 3.44Å; S570-R580 PolarHBondContact OG-NE 2.88Å; S570-H584 PolarHBondContact OG-NE2 2.9Å
571F88.8Confident89.8Confident86 Ų8640.5 Ų40.538%0.37723%0.229SC..G310 helixtrans-61-32.8-170.6-170.3-82000114T531 Y573 R574T531-F571 HydrophobicContact CG2-CB 3.77Å; T531-F571 WeakPolarHBondContact OG1-CB 3.28Å; F571-Y573 PolarHBondContact O-N 2.62Å; F571-R574 VanDerWaalsContact CZ-NH2 3.25Å; F571-R574 WeakPolarHBondContact O-CD 3.42Å; F571-R574 VanDerWaalsContact O-CG 3.28Å; F571-R574 WeakPolarHBondContact O-CG 3.27Å; F571-R574 PolarHBondContact O-N 3.21Å
572S86.7Confident89.5Confident47 Ų4739.4 Ų39.433%0.32923%0.226SC..G310 helixtrans-62.4-23.8175.345.90000113.5I532 G533 S570I532-S572 PolarHBondContact O-OG 3.28Å; G533-S572 WeakPolarHBondContact O-CB 3.24Å; S570-S572 VanDerWaalsContact C-N 3.29Å; S570-S572 PolarHBondContact O-N 3.26Å
573Y87.5Confident89.3Confident4 Ų439.4 Ų39.42%0.01623%0.226CC..G310 helixtrans-101.926.2-178.1-63.8-87.2000113.2S570 F571 G575 H576 I579 R580 M583 L623 L635 L636S570-Y573 PolarHBondContact O-N 3.44Å; F571-Y573 PolarHBondContact O-N 2.62Å; Y573-G575 PolarHBondContact O-N 3.41Å; Y573-H576 PolarHBondContact O-N 3.06Å; Y573-I579 HydrophobicContact CD1-CG2 4.03Å; Y573-I579 HydrophobicContact CG-CG2 4.15Å; Y573-R580 WeakPolarHBondContact O-CD 3.41Å; Y573-R580 WeakPolarHBondContact O-CG 3.47Å; Y573-M583 HydrophobicContact CD2-CE 3.91Å; Y573-M583 HydrophobicContact CD2-SD 3.4Å; Y573-M583 WeakPolarHBondContact CD2-SD 3.43Å; Y573-M583 HydrophobicContact CE2-CE 4Å; Y573-M583 HydrophobicContact CE2-SD 3.83Å; Y573-M583 HydrophobicContact CG-SD 4.05Å; Y573-L623 HydrophobicContact CE2-CD2 3.73Å; Y573-L635 HydrophobicContact CE1-CB 4.35Å; Y573-L635 HydrophobicContact CE1-CD2 3.86Å; Y573-L635 HydrophobicContact CE1-CG 3.92Å; Y573-L635 HydrophobicContact CE2-CD2 4.1Å; Y573-L636 HydrophobicContact CE1-CD2 3.93Å; Y573-L636 HydrophobicContact CE1-CG 4.26Å
574R79.7Confident89.1Confident152 Ų15240 Ų4057%0.57423%0.228SC*.THydrogen-bonded Turntrans-53.3129.5173.3-85.3169.1170.2-167-8.3111.2F571F571-R574 VanDerWaalsContact CZ-NH2 3.25Å; F571-R574 WeakPolarHBondContact O-CD 3.42Å; F571-R574 VanDerWaalsContact O-CG 3.28Å; F571-R574 WeakPolarHBondContact O-CG 3.27Å; F571-R574 PolarHBondContact O-N 3.21Å
575G79Confident88.9Confident75 Ų7540.4 Ų40.477%0.77323%0.231SC*.THydrogen-bonded Turntrans98.8-15.4-17500000114.3Y573Y573-G575 PolarHBondContact O-N 3.41Å
576H84.4Confident88.8Confident57 Ų5739.8 Ų39.826%0.26422%0.224SC..  trans-107.576.2177-64.4-82.5000111.2Y573 A578 I579 R580Y573-H576 PolarHBondContact O-N 3.06Å; H576-A578 PolarHBondContact O-N 2.9Å; H576-I579 HydrophobicContact CB-CB 4.04Å; H576-I579 HydrophobicContact CB-CD1 4Å; H576-I579 HydrophobicContact CB-CG1 4.22Å; H576-I579 PolarHBondContact O-N 3.12Å; H576-R580 WeakPolarHBondContact O-CG 3.31Å; H576-R580 PolarHBondContact O-N 3.27Å
577T82.6Confident88.9Confident93 Ų9339.8 Ų39.857%0.57122%0.224SC*.Hα-helixtrans-54.5-50.4-171.9-51.70000113.4I579 R580 E581T577-I579 VanDerWaalsContact C-N 3.31Å; T577-I579 PolarHBondContact O-N 3.37Å; T577-R580 PolarHBondContact O-N 3.02Å; T577-R580 VanDerWaalsContact O-N 3.14Å; T577-E581 HydrophobicContact CG2-CG 4.34Å; T577-E581 WeakPolarHBondContact CG2-OE1 3.2Å; T577-E581 WeakPolarHBondContact O-CG 3.49Å; T577-E581 PolarHBondContact O-N 3.15Å
578A85.5Confident89Confident64 Ų6439.2 Ų39.253%0.52922%0.22SC..Hα-helixtrans-60.2-38.9-179.500000112.9H576 A582H576-A578 PolarHBondContact O-N 2.9Å; A578-A582 WeakPolarHBondContact O-CB 3.42Å; A578-A582 PolarHBondContact O-N 3.37Å
579I90.4Very high88.9Confident10 Ų1040.6 Ų40.65%0.05122%0.22CC..Hα-helixtrans-67.2-43.7176.8-63179.7000110.3Y573 H576 T577 E581 A582 M583 L616 L635 Y638 A639Y573-I579 HydrophobicContact CD1-CG2 4.03Å; Y573-I579 HydrophobicContact CG-CG2 4.15Å; H576-I579 HydrophobicContact CB-CB 4.04Å; H576-I579 HydrophobicContact CB-CD1 4Å; H576-I579 HydrophobicContact CB-CG1 4.22Å; H576-I579 PolarHBondContact O-N 3.12Å; T577-I579 VanDerWaalsContact C-N 3.31Å; T577-I579 PolarHBondContact O-N 3.37Å; I579-E581 PolarHBondContact O-N 3Å; I579-A582 PolarHBondContact O-N 3.36Å; I579-M583 HydrophobicContact CG2-CG 4.34Å; I579-M583 HydrophobicContact CG2-SD 4.13Å; I579-M583 WeakPolarHBondContact O-CB 3.11Å; I579-M583 VanDerWaalsContact O-CG 3.28Å; I579-M583 WeakPolarHBondContact O-CG 3.27Å; I579-M583 PolarHBondContact O-N 3.24Å; I579-L616 HydrophobicContact CG1-CD1 4.19Å; I579-L635 HydrophobicContact CG2-CD1 4.11Å; I579-L635 HydrophobicContact CG2-CD2 3.87Å; I579-L635 HydrophobicContact CG2-CG 4.1Å; I579-Y638 HydrophobicContact CD1-CD1 4.35Å; I579-A639 HydrophobicContact CD1-CB 3.37Å
580R90Very high88.9Confident62 Ų6242.4 Ų42.423%0.23423%0.228CC..Hα-helixtrans-62.2-44.2178.3-68.1-174.266.7-156.1-5.6111.8S570 Y573 H576 T577 M583 H584S570-R580 PolarHBondContact OG-NE 2.88Å; Y573-R580 WeakPolarHBondContact O-CD 3.41Å; Y573-R580 WeakPolarHBondContact O-CG 3.47Å; H576-R580 WeakPolarHBondContact O-CG 3.31Å; H576-R580 PolarHBondContact O-N 3.27Å; T577-R580 PolarHBondContact O-N 3.02Å; T577-R580 VanDerWaalsContact O-N 3.14Å; R580-M583 PolarHBondContact O-N 2.87Å; R580-H584 PolarHBondContact O-CD2 2.97Å; R580-H584 VanDerWaalsContact O-CD2 3.23Å; R580-H584 PolarHBondContact O-N 3.48Å; R580-H584 PolarHBondContact O-ND1 2.97Å
581E89.1Confident89Confident59 Ų5942.4 Ų42.428%0.27623%0.228SC..Hα-helixtrans-63.3-42.7177.9-73.3175.7176.100111.6T577 I579 H584 S585 P607T577-E581 HydrophobicContact CG2-CG 4.34Å; T577-E581 WeakPolarHBondContact CG2-OE1 3.2Å; T577-E581 WeakPolarHBondContact O-CG 3.49Å; T577-E581 PolarHBondContact O-N 3.15Å; I579-E581 PolarHBondContact O-N 3Å; E581-H584 PolarHBondContact O-N 2.82Å; E581-S585 PolarHBondContact O-N 2.72Å; E581-P607 HydrophobicContact CB-CG 3.88Å; E581-P607 WeakPolarHBondContact O-CG 3.45Å
582A90.5Very high89.2Confident3 Ų340.1 Ų40.13%0.02522%0.22CC..Hα-helixtrans-62-46172.600000112.3A578 I579 H584 S585 V586 V612 L616A578-A582 WeakPolarHBondContact O-CB 3.42Å; A578-A582 PolarHBondContact O-N 3.37Å; I579-A582 PolarHBondContact O-N 3.36Å; A582-H584 VanDerWaalsContact C-N 3.33Å; A582-H584 PolarHBondContact O-N 2.54Å; A582-S585 PolarHBondContact O-N 3.17Å; A582-V586 WeakPolarHBondContact O-CG2 3.22Å; A582-V586 PolarHBondContact O-N 2.94Å; A582-V612 HydrophobicContact CB-CG1 3.71Å; A582-V612 HydrophobicContact CB-CG2 4.44Å; A582-L616 HydrophobicContact CB-CD1 4.34Å; A582-L616 HydrophobicContact CB-CD2 3.7Å; A582-L616 HydrophobicContact CB-CG 3.82Å
583M93.2Very high89.4Confident0 Ų043.2 Ų43.20%023%0.233CC..Hα-helixtrans-58.9-42.3175.2-73.217873.700112.1I532 Y573 I579 R580 F587 L623 L635I532-M583 HydrophobicContact CD1-CE 4.17Å; I532-M583 HydrophobicContact CG1-CE 3.98Å; Y573-M583 HydrophobicContact CD2-CE 3.91Å; Y573-M583 HydrophobicContact CD2-SD 3.4Å; Y573-M583 WeakPolarHBondContact CD2-SD 3.43Å; Y573-M583 HydrophobicContact CE2-CE 4Å; Y573-M583 HydrophobicContact CE2-SD 3.83Å; Y573-M583 HydrophobicContact CG-SD 4.05Å; I579-M583 HydrophobicContact CG2-CG 4.34Å; I579-M583 HydrophobicContact CG2-SD 4.13Å; I579-M583 WeakPolarHBondContact O-CB 3.11Å; I579-M583 VanDerWaalsContact O-CG 3.28Å; I579-M583 WeakPolarHBondContact O-CG 3.27Å; I579-M583 PolarHBondContact O-N 3.24Å; R580-M583 PolarHBondContact O-N 2.87Å; M583-F587 VanDerWaalsContact O-CB 3.27Å; M583-F587 WeakPolarHBondContact O-CB 3.49Å; M583-F587 PolarHBondContact O-N 3Å; M583-L623 HydrophobicContact CE-CD2 3.86Å; M583-L623 HydrophobicContact SD-CD2 4.47Å; M583-L635 HydrophobicContact SD-CD2 4.31Å
584H92.2Very high89.7Confident17 Ų1744.2 Ų44.28%0.07924%0.242CC..Hα-helixtrans-63.2-44.3176.6-62.9166000111.3I566 S570 R580 E581 A582 F587 L588 L606I566-H584 HydrophobicContact CG2-CB 4.25Å; S570-H584 PolarHBondContact OG-NE2 2.9Å; R580-H584 PolarHBondContact O-CD2 2.97Å; R580-H584 VanDerWaalsContact O-CD2 3.23Å; R580-H584 PolarHBondContact O-N 3.48Å; R580-H584 PolarHBondContact O-ND1 2.97Å; E581-H584 PolarHBondContact O-N 2.82Å; A582-H584 VanDerWaalsContact C-N 3.33Å; A582-H584 PolarHBondContact O-N 2.54Å; H584-F587 PolarHBondContact O-N 3.13Å; H584-L588 VanDerWaalsContact O-CB 3.29Å; H584-L588 WeakPolarHBondContact O-CB 3.29Å; H584-L588 VanDerWaalsContact O-CG 3.29Å; H584-L588 WeakPolarHBondContact O-CG 3.4Å; H584-L588 PolarHBondContact O-N 3.37Å; H584-L606 HydrophobicContact CB-CD2 4.07Å
585S89.3Confident90.3Very high9 Ų937.7 Ų37.76%0.06322%0.222CC..Hα-helixtrans-63.6-45.1180-164.50000112.5E581 A582 Y589 P607 Y609E581-S585 PolarHBondContact O-N 2.72Å; A582-S585 PolarHBondContact O-N 3.17Å; S585-Y589 VanDerWaalsContact O-CB 3.3Å; S585-Y589 WeakPolarHBondContact O-CB 3.41Å; S585-Y589 PolarHBondContact O-N 2.89Å; S585-P607 WeakPolarHBondContact CB-O 3.29Å; S585-P607 PolarHBondContact OG-O 2.72Å; S585-Y609 VanDerWaalsContact OG-CA 3.3Å; S585-Y609 WeakPolarHBondContact OG-CA 3.08Å; S585-Y609 PolarHBondContact OG-N 2.89Å
586V92.5Very high91.1Very high0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-61.7-48.7174.2172.90000111.5A582 L588 Y589 H590 Y609 L617 C620 E621 V624A582-V586 WeakPolarHBondContact O-CG2 3.22Å; A582-V586 PolarHBondContact O-N 2.94Å; V586-L588 PolarHBondContact O-N 2.55Å; V586-Y589 PolarHBondContact O-N 3.34Å; V586-H590 PolarHBondContact O-CD2 2.86Å; V586-H590 VanDerWaalsContact O-CD2 3.23Å; V586-H590 PolarHBondContact O-N 2.88Å; V586-Y609 HydrophobicContact CG2-CD2 4.41Å; V586-Y609 HydrophobicContact CG2-CE2 4.21Å; V586-L617 HydrophobicContact CG2-CD1 3.57Å; V586-C620 HydrophobicContact CB-CB 4.44Å; V586-C620 HydrophobicContact CG2-CB 3.84Å; V586-E621 HydrophobicContact CG1-CG 3.89Å; V586-E621 HydrophobicContact CG2-CG 4.37Å; V586-V624 HydrophobicContact CG1-CB 3.94Å; V586-V624 HydrophobicContact CG1-CG1 4.11Å; V586-V624 HydrophobicContact CG1-CG2 4.11Å
587F95Very high91.6Very high1 Ų132.4 Ų32.40%0.00418%0.178CC..Hα-helixtrans-60-48.4179.6179.6-97.9000111.7V529 A543 F546 I547 I566 V569 M583 H584 H590 A591 V624V529-F587 HydrophobicContact CG1-CE1 4.41Å; V529-F587 HydrophobicContact CG1-CZ 4.17Å; V529-F587 HydrophobicContact CG2-CE1 4.3Å; V529-F587 HydrophobicContact CG2-CZ 4.11Å; A543-F587 HydrophobicContact CB-CD2 4.24Å; A543-F587 HydrophobicContact CB-CE2 4.16Å; F546-F587 HydrophobicContact CD1-CE2 4.09Å; F546-F587 AromaticContact CD1-CZ 3.51Å; F546-F587 HydrophobicContact CD1-CZ 3.51Å; F546-F587 HydrophobicContact CE1-CE1 4.27Å; F546-F587 AromaticContact CE1-CZ 3.67Å; F546-F587 HydrophobicContact CE1-CZ 3.67Å; F546-F587 HydrophobicContact CG-CZ 4.21Å; F546-F587 HydrophobicContact CZ-CZ 4.47Å; I547-F587 HydrophobicContact CD1-CD2 4.29Å; I547-F587 HydrophobicContact CD1-CE2 4.31Å; I547-F587 HydrophobicContact CG1-CE2 4.23Å; I566-F587 HydrophobicContact CD1-CD1 4.22Å; I566-F587 HydrophobicContact CD1-CE1 3.84Å; I566-F587 HydrophobicContact CG2-CD1 4.16Å; V569-F587 HydrophobicContact CG1-CB 4.41Å; V569-F587 HydrophobicContact CG1-CG 4.42Å; V569-F587 HydrophobicContact CG2-CD2 3.99Å; V569-F587 HydrophobicContact CG2-CE2 4.37Å; V569-F587 HydrophobicContact CG2-CG 4.35Å; M583-F587 VanDerWaalsContact O-CB 3.27Å; M583-F587 WeakPolarHBondContact O-CB 3.49Å; M583-F587 PolarHBondContact O-N 3Å; H584-F587 PolarHBondContact O-N 3.13Å; F587-H590 PolarHBondContact O-N 3.49Å; F587-A591 HydrophobicContact CD1-CB 4.5Å; F587-A591 HydrophobicContact CE1-CB 4.25Å; F587-A591 HydrophobicContact CZ-CB 4.47Å; F587-A591 WeakPolarHBondContact O-CB 3.38Å; F587-A591 PolarHBondContact O-N 2.91Å; F587-V624 HydrophobicContact CB-CG1 4.22Å; F587-V624 HydrophobicContact CD2-CG1 4.11Å
588L93.4Very high92.3Very high11 Ų1128 Ų286%0.05815%0.151CC..Hα-helixtrans-62.9-42.7178.6-75.4173.7000111.8F360 I566 H584 V586 H590 A591 I592 L596 V601 L606F360-L588 HydrophobicContact CE1-CD2 4.19Å; F360-L588 HydrophobicContact CE2-CD2 3.9Å; F360-L588 HydrophobicContact CZ-CD2 3.55Å; I566-L588 HydrophobicContact CD1-CD2 3.78Å; I566-L588 HydrophobicContact CG1-CD2 3.97Å; I566-L588 HydrophobicContact CG2-CD1 4.41Å; I566-L588 HydrophobicContact CG2-CD2 4.32Å; I566-L588 HydrophobicContact CG2-CG 4.15Å; H584-L588 VanDerWaalsContact O-CB 3.29Å; H584-L588 WeakPolarHBondContact O-CB 3.29Å; H584-L588 VanDerWaalsContact O-CG 3.29Å; H584-L588 WeakPolarHBondContact O-CG 3.4Å; H584-L588 PolarHBondContact O-N 3.37Å; V586-L588 PolarHBondContact O-N 2.55Å; L588-H590 VanDerWaalsContact C-N 3.33Å; L588-H590 PolarHBondContact O-N 2.99Å; L588-A591 PolarHBondContact O-N 3.19Å; L588-I592 HydrophobicContact CB-CD1 4.13Å; L588-I592 WeakPolarHBondContact O-CB 3.42Å; L588-I592 WeakPolarHBondContact O-CD1 3.17Å; L588-I592 WeakPolarHBondContact O-CG1 3.5Å; L588-I592 PolarHBondContact O-N 3.32Å; L588-L596 HydrophobicContact CD2-CD2 4.02Å; L588-V601 HydrophobicContact CD1-CG1 4.33Å; L588-L606 HydrophobicContact CD1-CD1 3.76Å; L588-L606 HydrophobicContact CD1-CD2 3.67Å; L588-L606 HydrophobicContact CD1-CG 4.35Å
589Y91.4Very high92.7Very high103 Ų10324.9 Ų24.940%0.40413%0.125SC..Hα-helixtrans-54.8-48.5177.4177.3-101.7000111.8S585 V586 N593 Y609S585-Y589 VanDerWaalsContact O-CB 3.3Å; S585-Y589 WeakPolarHBondContact O-CB 3.41Å; S585-Y589 PolarHBondContact O-N 2.89Å; V586-Y589 PolarHBondContact O-N 3.34Å; Y589-N593 WeakPolarHBondContact O-CB 3.4Å; Y589-N593 VanDerWaalsContact O-CG 3.24Å; Y589-N593 PolarHBondContact O-N 3.46Å; Y589-N593 PolarHBondContact O-ND2 2.92Å; Y589-Y609 VanDerWaalsContact CB-CD2 3.48Å; Y589-Y609 AromaticContact CD1-CD2 3.89Å; Y589-Y609 HydrophobicContact CD1-CD2 3.89Å; Y589-Y609 HydrophobicContact CD1-CE1 4.31Å; Y589-Y609 AromaticContact CD1-CE2 3.53Å; Y589-Y609 HydrophobicContact CD1-CE2 3.53Å; Y589-Y609 HydrophobicContact CD1-CG 4.4Å; Y589-Y609 AromaticContact CD1-CZ 3.78Å; Y589-Y609 HydrophobicContact CD2-CD1 4.15Å; Y589-Y609 HydrophobicContact CD2-CD2 4.1Å; Y589-Y609 HydrophobicContact CD2-CE2 4.5Å; Y589-Y609 AromaticContact CD2-CG 3.91Å; Y589-Y609 HydrophobicContact CD2-CG 3.91Å; Y589-Y609 HydrophobicContact CE1-CE1 4.19Å; Y589-Y609 HydrophobicContact CE1-CE2 4.14Å; Y589-Y609 AromaticContact CE1-CZ 3.88Å; Y589-Y609 HydrophobicContact CE2-CD1 4.26Å; Y589-Y609 HydrophobicContact CE2-CE1 4.43Å; Y589-Y609 HydrophobicContact CE2-CG 4.48Å; Y589-Y609 HydrophobicContact CG-CD1 4.32Å; Y589-Y609 AromaticContact CG-CD2 3.55Å; Y589-Y609 HydrophobicContact CG-CD2 3.55Å; Y589-Y609 HydrophobicContact CG-CE1 4.48Å; Y589-Y609 AromaticContact CG-CE2 3.74Å; Y589-Y609 HydrophobicContact CG-CE2 3.74Å; Y589-Y609 AromaticContact CG-CG 3.86Å; Y589-Y609 HydrophobicContact CG-CG 3.86Å
590H94Very high93Very high37 Ų3725.4 Ų25.417%0.17113%0.128CC..Hα-helixtrans-75-38.7179-69-68000113.3I547 V586 F587 L588 N593 A594 E621 L625I547-H590 HydrophobicContact CD1-CB 3.88Å; V586-H590 PolarHBondContact O-CD2 2.86Å; V586-H590 VanDerWaalsContact O-CD2 3.23Å; V586-H590 PolarHBondContact O-N 2.88Å; F587-H590 PolarHBondContact O-N 3.49Å; L588-H590 VanDerWaalsContact C-N 3.33Å; L588-H590 PolarHBondContact O-N 2.99Å; H590-N593 PolarHBondContact O-N 3.08Å; H590-A594 WeakPolarHBondContact O-CB 3.31Å; H590-A594 PolarHBondContact O-N 3.29Å; H590-E621 IonicContact NE2-OE1 2.83Å; H590-L625 HydrophobicContact CB-CD2 4.33Å
591A94.8Very high93.1Very high0 Ų022.6 Ų22.60%012%0.118CC..Hα-helixtrans-68.8-40.7-179.600000112.5I547 I550 F587 L588 A594 G595 L596I547-A591 HydrophobicContact CG1-CB 4.21Å; I550-A591 HydrophobicContact CD1-CB 4.29Å; F587-A591 HydrophobicContact CD1-CB 4.5Å; F587-A591 HydrophobicContact CE1-CB 4.25Å; F587-A591 HydrophobicContact CZ-CB 4.47Å; F587-A591 WeakPolarHBondContact O-CB 3.38Å; F587-A591 PolarHBondContact O-N 2.91Å; L588-A591 PolarHBondContact O-N 3.19Å; A591-A594 CarbonylContact O-C 3.55Å; A591-A594 PolarHBondContact O-N 3.15Å; A591-A594 VanDerWaalsContact O-N 3.15Å; A591-G595 PolarHBondContact O-N 3.36Å; A591-L596 HydrophobicContact CB-CB 4.02Å; A591-L596 HydrophobicContact CB-CD2 3.77Å; A591-L596 VanDerWaalsContact O-CB 3.26Å; A591-L596 WeakPolarHBondContact O-CB 3.33Å; A591-L596 PolarHBondContact O-N 3.48Å
592I92.4Very high93.1Very high39 Ų3921 Ų2120%0.211%0.111CC..Hα-helixtrans-62.6-45.9174.8-67.4165.7000109.7F360 L588 A594 G595F360-I592 HydrophobicContact CB-CD1 3.8Å; F360-I592 HydrophobicContact CB-CG1 4.23Å; F360-I592 HydrophobicContact CD1-CD1 4.35Å; F360-I592 HydrophobicContact CD2-CD1 3.78Å; F360-I592 HydrophobicContact CD2-CG1 3.64Å; F360-I592 HydrophobicContact CE2-CD1 4.41Å; F360-I592 HydrophobicContact CE2-CG1 4.23Å; F360-I592 HydrophobicContact CG-CD1 3.72Å; F360-I592 HydrophobicContact CG-CG1 4.09Å; L588-I592 HydrophobicContact CB-CD1 4.13Å; L588-I592 WeakPolarHBondContact O-CB 3.42Å; L588-I592 WeakPolarHBondContact O-CD1 3.17Å; L588-I592 WeakPolarHBondContact O-CG1 3.5Å; L588-I592 PolarHBondContact O-N 3.32Å; I592-A594 PolarHBondContact O-N 3.42Å; I592-G595 WeakPolarHBondContact O-CA 3.34Å; I592-G595 PolarHBondContact O-N 3.36Å
593N91.3Very high92.2Very high111 Ų11121.6 Ų21.659%0.59412%0.116SC*.Hα-helixtrans-60.3-31174.4-77.4-32.5000113Y589 H590 G595Y589-N593 WeakPolarHBondContact O-CB 3.4Å; Y589-N593 VanDerWaalsContact O-CG 3.24Å; Y589-N593 PolarHBondContact O-N 3.46Å; Y589-N593 PolarHBondContact O-ND2 2.92Å; H590-N593 PolarHBondContact O-N 3.08Å; N593-G595 VanDerWaalsContact C-N 3.33Å
594A93.6Very high91Very high26 Ų2623.7 Ų23.722%0.21514%0.138CC..Hα-helixtrans-79.6-13.7173.400000113.9I547 I550 H590 A591 I592I547-A594 HydrophobicContact CG2-CB 3.65Å; I547-A594 WeakPolarHBondContact O-CB 3.45Å; I550-A594 HydrophobicContact CB-CB 4.42Å; I550-A594 HydrophobicContact CD1-CB 4.44Å; I550-A594 VanDerWaalsContact CG2-O 3.31Å; I550-A594 WeakPolarHBondContact CG2-O 3.44Å; H590-A594 WeakPolarHBondContact O-CB 3.31Å; H590-A594 PolarHBondContact O-N 3.29Å; A591-A594 CarbonylContact O-C 3.55Å; A591-A594 PolarHBondContact O-N 3.15Å; A591-A594 VanDerWaalsContact O-N 3.15Å; I592-A594 PolarHBondContact O-N 3.42Å
595G92.4Very high89.9Confident15 Ų1524.9 Ų24.916%0.15515%0.148CC..THydrogen-bonded Turntrans117.617.9172.700000116.1K554 A591 I592 N593 D597K554-G595 PolarHBondContact NZ-O 3.41Å; A591-G595 PolarHBondContact O-N 3.36Å; I592-G595 WeakPolarHBondContact O-CA 3.34Å; I592-G595 PolarHBondContact O-N 3.36Å; N593-G595 VanDerWaalsContact C-N 3.33Å; G595-D597 PolarHBondContact O-N 3.36Å
596L95.1Very high89Confident3 Ų326.9 Ų26.92%0.01616%0.158CC..  trans-62.6120.8172.5-17468.1000110.3F360 F546 I550 F562 I566 L588 A591 M598F360-L596 HydrophobicContact CE2-CD2 3.77Å; F360-L596 HydrophobicContact CE2-CG 4.02Å; F546-L596 HydrophobicContact CE1-CD1 4.36Å; F546-L596 HydrophobicContact CZ-CD1 4.29Å; I550-L596 HydrophobicContact CD1-CB 3.98Å; I550-L596 HydrophobicContact CD1-CD1 4.37Å; F562-L596 HydrophobicContact CB-CD1 3.94Å; I566-L596 HydrophobicContact CD1-CD2 4.17Å; L588-L596 HydrophobicContact CD2-CD2 4.02Å; A591-L596 HydrophobicContact CB-CB 4.02Å; A591-L596 HydrophobicContact CB-CD2 3.77Å; A591-L596 VanDerWaalsContact O-CB 3.26Å; A591-L596 WeakPolarHBondContact O-CB 3.33Å; A591-L596 PolarHBondContact O-N 3.48Å; L596-M598 WeakPolarHBondContact CD1-O 3.39Å; L596-M598 WeakPolarHBondContact CG-O 3.49Å
597D95.5Very high87.7Confident17 Ų1728.8 Ų28.89%0.09117%0.17CC..  trans-90.2-30.2-174.4-50.7-92.7000112.7V361 K554 R561 F562 G595V361-D597 PolarHBondContact N-O 3.38Å; K554-D597 IonicContact NZ-OD1 2.9Å; K554-D597 PolarHBondContact NZ-OD1 2.95Å; K554-D597 IonicContact NZ-OD2 2.64Å; R561-D597 VanDerWaalsContact CA-OD2 3.23Å; R561-D597 WeakPolarHBondContact CA-OD2 3.39Å; R561-D597 HydrophobicContact CB-CB 4.21Å; R561-D597 IonicContact NH1-OD1 3.3Å; R561-D597 PolarHBondContact NH1-OD1 3.34Å; F562-D597 WeakPolarHBondContact CD2-OD2 3.47Å; F562-D597 PolarHBondContact N-OD2 3.24Å; F562-D597 PolarHBondContact O-N 3.01Å; G595-D597 PolarHBondContact O-N 3.36Å
598M96.3Very high86.9Confident0 Ų033 Ų330%020%0.195CC..EExtended strand (participates in β ladder)trans-152.9167.6-177.366.2-168.971.400112.3I354 V361 I363 I457 I524 R561 F562 S563 L596I354-M598 HydrophobicContact CD1-CE 3.77Å; V361-M598 HydrophobicContact CB-CB 3.71Å; V361-M598 HydrophobicContact CG1-CB 4.2Å; V361-M598 VanDerWaalsContact O-CA 3.26Å; V361-M598 WeakPolarHBondContact O-CA 3.43Å; V361-M598 WeakPolarHBondContact O-CB 3.23Å; I363-M598 HydrophobicContact CD1-CB 4.35Å; I363-M598 HydrophobicContact CD1-CG 4.05Å; I363-M598 HydrophobicContact CD1-SD 4.05Å; I363-M598 HydrophobicContact CG1-CB 4.5Å; I457-M598 HydrophobicContact CD1-SD 4.45Å; I524-M598 HydrophobicContact CD1-CE 4.25Å; I524-M598 HydrophobicContact CD1-SD 3.92Å; I524-M598 HydrophobicContact CG2-SD 4.14Å; R561-M598 HydrophobicContact CB-CE 4.03Å; R561-M598 HydrophobicContact CG-CE 4.34Å; F562-M598 WeakPolarHBondContact O-CG 3.48Å; F562-M598 PolarHBondContact O-N 3.27Å; S563-M598 WeakPolarHBondContact CA-O 3.45Å; L596-M598 WeakPolarHBondContact CD1-O 3.39Å; L596-M598 WeakPolarHBondContact CG-O 3.49Å
599G94.9Very high86.1Confident0 Ų035 Ų350%020%0.203CC..EExtended strand (participates in β ladder)trans-165.2150.2175.400000113.9F360 V361 I363 V601F360-G599 VanDerWaalsContact CZ-N 3.27Å; V361-G599 PolarHBondContact O-N 3.14Å; I363-G599 WeakPolarHBondContact CB-O 3.33Å; I363-G599 PolarHBondContact N-O 3.21Å; G599-V601 PolarHBondContact O-N 2.91Å
600I95.6Very high85.5Confident21 Ų2134.3 Ų34.311%0.10821%0.213CC..EExtended strand (participates in β ladder)trans-81.3110.9177-57167.7000108.2I363 E365 D403 G564 I566I363-I600 HydrophobicContact CB-CG1 4.03Å; I363-I600 HydrophobicContact CD1-CG1 4.17Å; I363-I600 HydrophobicContact CG2-CG1 4.08Å; I363-I600 CarbonylContact O-C 3.59Å; I363-I600 WeakPolarHBondContact O-CA 3.34Å; E365-I600 HydrophobicContact CB-CG2 3.48Å; E365-I600 VanDerWaalsContact CB-CG2 3.48Å; D403-I600 HydrophobicContact CB-CG2 4.3Å; G564-I600 PolarHBondContact O-N 2.89Å; I566-I600 PolarHBondContact N-O 3.38Å; I566-I600 VanDerWaalsContact N-O 3.15Å
601V92.8Very high85Confident3 Ų338.2 Ų38.22%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-142.7163-168.7-65.10000111.8N362 I363 E365 I566 L588 G599 A603 L606N362-V601 HydrophobicContact CB-CG2 3.87Å; I363-V601 PolarHBondContact O-N 3.15Å; I363-V601 VanDerWaalsContact O-O 3.11Å; E365-V601 WeakPolarHBondContact CG-O 3.33Å; E365-V601 PolarHBondContact N-O 2.85Å; I566-V601 HydrophobicContact CB-CG1 3.8Å; I566-V601 HydrophobicContact CG1-CG1 3.44Å; I566-V601 VanDerWaalsContact CG1-CG1 3.44Å; I566-V601 HydrophobicContact CG2-CG1 4.35Å; L588-V601 HydrophobicContact CD1-CG1 4.33Å; G599-V601 PolarHBondContact O-N 2.91Å; V601-A603 PolarHBondContact O-N 3.2Å; V601-L606 HydrophobicContact CB-CD1 4.16Å; V601-L606 HydrophobicContact CG1-CD1 4.24Å; V601-L606 HydrophobicContact CG2-CD1 4.08Å
602N87.8Confident84.4Confident26 Ų2638.8 Ų38.814%0.13924%0.238CC..  trans-81.898162.4-169.423.7000109.9E365 R366 G604 S605E365-N602 HydrophobicContact CG-CB 4.35Å; E365-N602 WeakPolarHBondContact OE1-CB 3.17Å; R366-N602 PolarHBondContact NE-OD1 3.06Å; R366-N602 PolarHBondContact NH2-ND2 3.24Å; N602-G604 PolarHBondContact O-N 2.91Å; N602-S605 WeakPolarHBondContact ND2-CB 3.35Å; N602-S605 PolarHBondContact ND2-OG 3.45Å; N602-S605 PolarHBondContact O-N 2.8Å
603A71.8Confident84.2Confident15 Ų1541 Ų4112%0.12425%0.248CC..G310 helixtrans-52-35.1-173.300000114.4N362 M397 A399 V601 S605N362-A603 HydrophobicContact CB-CB 4.44Å; M397-A603 HydrophobicContact CB-CB 4.41Å; A399-A603 HydrophobicContact CB-CB 4Å; V601-A603 PolarHBondContact O-N 3.2Å; A603-S605 PolarHBondContact O-N 2.95Å
604G69.9Low84.1Confident44 Ų4440.5 Ų40.545%0.45425%0.251SS..G310 helixtrans-84.54.4-179.200000116.6N602N602-G604 PolarHBondContact O-N 2.91Å
605S68.6Low83.9Confident41 Ų4144.1 Ų44.129%0.28726%0.263SS..G310 helixtrans-137.424.2-171.2-50.40000114.9N602 A603 P607N602-S605 WeakPolarHBondContact ND2-CB 3.35Å; N602-S605 PolarHBondContact ND2-OG 3.45Å; N602-S605 PolarHBondContact O-N 2.8Å; A603-S605 PolarHBondContact O-N 2.95Å; S605-P607 VanDerWaalsContact O-CD 3.28Å; S605-P607 WeakPolarHBondContact O-CD 3.36Å
606L69.3Low83.9Confident52 Ų5244.1 Ų44.127%0.27226%0.259SS..  trans-89.6109.2172.6-68176.1000109.5H584 L588 V601H584-L606 HydrophobicContact CB-CD2 4.07Å; L588-L606 HydrophobicContact CD1-CD1 3.76Å; L588-L606 HydrophobicContact CD1-CD2 3.67Å; L588-L606 HydrophobicContact CD1-CG 4.35Å; V601-L606 HydrophobicContact CB-CD1 4.16Å; V601-L606 HydrophobicContact CG1-CD1 4.24Å; V601-L606 HydrophobicContact CG2-CD1 4.08Å
607P66.4Low83.8Confident40 Ų4045.4 Ų45.426%0.2627%0.266SS..  trans-68.714717429.4-33.3000109.6E581 S585 S605E581-P607 HydrophobicContact CB-CG 3.88Å; E581-P607 WeakPolarHBondContact O-CG 3.45Å; S585-P607 WeakPolarHBondContact CB-O 3.29Å; S585-P607 PolarHBondContact OG-O 2.72Å; S605-P607 VanDerWaalsContact O-CD 3.28Å; S605-P607 WeakPolarHBondContact O-CD 3.36Å
608V77.2Confident83.7Confident89 Ų8950.6 Ų50.654%0.53928%0.284SS..  trans-65.7135.2172.3-170.70000108.1S610 D611V608-S610 WeakPolarHBondContact CG1-OG 3.32Å; V608-S610 PolarHBondContact O-N 3.07Å; V608-S610 VanDerWaalsContact O-N 3.07Å; V608-D611 HydrophobicContact CB-CB 4.37Å; V608-D611 WeakPolarHBondContact CB-OD2 3Å; V608-D611 WeakPolarHBondContact O-CB 3.48Å; V608-D611 PolarHBondContact O-N 2.65Å
609Y76.8Confident83.6Confident54 Ų5451 Ų5121%0.21229%0.286CS..G310 helixtrans-53.1-33.2-176.8173.7-86.4000113.2S585 V586 Y589 D611 L617 E621S585-Y609 VanDerWaalsContact OG-CA 3.3Å; S585-Y609 WeakPolarHBondContact OG-CA 3.08Å; S585-Y609 PolarHBondContact OG-N 2.89Å; V586-Y609 HydrophobicContact CG2-CD2 4.41Å; V586-Y609 HydrophobicContact CG2-CE2 4.21Å; Y589-Y609 VanDerWaalsContact CB-CD2 3.48Å; Y589-Y609 AromaticContact CD1-CD2 3.89Å; Y589-Y609 HydrophobicContact CD1-CD2 3.89Å; Y589-Y609 HydrophobicContact CD1-CE1 4.31Å; Y589-Y609 AromaticContact CD1-CE2 3.53Å; Y589-Y609 HydrophobicContact CD1-CE2 3.53Å; Y589-Y609 HydrophobicContact CD1-CG 4.4Å; Y589-Y609 AromaticContact CD1-CZ 3.78Å; Y589-Y609 HydrophobicContact CD2-CD1 4.15Å; Y589-Y609 HydrophobicContact CD2-CD2 4.1Å; Y589-Y609 HydrophobicContact CD2-CE2 4.5Å; Y589-Y609 AromaticContact CD2-CG 3.91Å; Y589-Y609 HydrophobicContact CD2-CG 3.91Å; Y589-Y609 HydrophobicContact CE1-CE1 4.19Å; Y589-Y609 HydrophobicContact CE1-CE2 4.14Å; Y589-Y609 AromaticContact CE1-CZ 3.88Å; Y589-Y609 HydrophobicContact CE2-CD1 4.26Å; Y589-Y609 HydrophobicContact CE2-CE1 4.43Å; Y589-Y609 HydrophobicContact CE2-CG 4.48Å; Y589-Y609 HydrophobicContact CG-CD1 4.32Å; Y589-Y609 AromaticContact CG-CD2 3.55Å; Y589-Y609 HydrophobicContact CG-CD2 3.55Å; Y589-Y609 HydrophobicContact CG-CE1 4.48Å; Y589-Y609 AromaticContact CG-CE2 3.74Å; Y589-Y609 HydrophobicContact CG-CE2 3.74Å; Y589-Y609 AromaticContact CG-CG 3.86Å; Y589-Y609 HydrophobicContact CG-CG 3.86Å; Y609-D611 VanDerWaalsContact C-N 3.31Å; Y609-D611 PolarHBondContact O-N 2.92Å; Y609-L617 HydrophobicContact CD2-CD1 4.14Å; Y609-L617 HydrophobicContact CE1-CD2 4.44Å; Y609-L617 HydrophobicContact CE2-CD1 3.7Å; Y609-E621 PolarHBondContact OH-OE1 3.04Å
610S79.2Confident83.5Confident88 Ų8851 Ų5162%0.61529%0.286SS*.G310 helixtrans-70.8-21175.653.20000115V608V608-S610 WeakPolarHBondContact CG1-OG 3.32Å; V608-S610 PolarHBondContact O-N 3.07Å; V608-S610 VanDerWaalsContact O-N 3.07Å
611D82.5Confident83.5Confident119 Ų11951.2 Ų51.264%0.63629%0.287SS*.G310 helixtrans-93.1-8.3-174.1-58.8-4.3000111.5V608 Y609 E613V608-D611 HydrophobicContact CB-CB 4.37Å; V608-D611 WeakPolarHBondContact CB-OD2 3Å; V608-D611 WeakPolarHBondContact O-CB 3.48Å; V608-D611 PolarHBondContact O-N 2.65Å; Y609-D611 VanDerWaalsContact C-N 3.31Å; Y609-D611 PolarHBondContact O-N 2.92Å; D611-E613 PolarHBondContact O-N 2.97Å
612V82.4Confident83.6Confident11 Ų1152 Ų527%0.06729%0.292CS..SBendtrans-67.5127.3172.2-174.20000108.5A582 L616 L617A582-V612 HydrophobicContact CB-CG1 3.71Å; A582-V612 HydrophobicContact CB-CG2 4.44Å; V612-L616 HydrophobicContact CG1-CB 4.37Å; V612-L616 HydrophobicContact CG1-CD2 4.33Å; V612-L616 HydrophobicContact CG1-CG 4.15Å; V612-L617 HydrophobicContact CB-CB 4.16Å; V612-L617 HydrophobicContact CB-CD1 4.27Å; V612-L617 HydrophobicContact CG1-CB 3.81Å; V612-L617 HydrophobicContact CG1-CD1 4.35Å
613E89Confident84Confident86 Ų8651.1 Ų51.140%0.40229%0.286SS..  trans-52.8133.9178.7-173-74.5131.900110.5D611 E615 L616 L617D611-E613 PolarHBondContact O-N 2.97Å; E613-E615 VanDerWaalsContact CD-N 3.25Å; E613-E615 PolarHBondContact O-N 2.85Å; E613-E615 PolarHBondContact OE1-N 3.07Å; E613-E615 WeakPolarHBondContact OE2-CA 3.49Å; E613-E615 VanDerWaalsContact OE2-CB 3.28Å; E613-E615 WeakPolarHBondContact OE2-CB 3.39Å; E613-E615 PolarHBondContact OE2-N 2.79Å; E613-L616 HydrophobicContact CB-CB 4.4Å; E613-L616 PolarHBondContact O-N 3.17Å; E613-L616 VanDerWaalsContact O-N 3.16Å; E613-L616 PolarHBondContact OE2-N 3.23Å; E613-L617 WeakPolarHBondContact O-CB 3.05Å; E613-L617 PolarHBondContact O-N 3.09Å
614P88.5Confident85Confident101 Ų10150.4 Ų50.466%0.65628%0.281SS*.Hα-helixtrans-54.6-38.5-170.6-30.635.8000116.5R618P614-R618 PolarHBondContact O-N 3.39Å; P614-R618 VanDerWaalsContact O-N 3.13Å
615E90.9Very high86.2Confident101 Ų10150 Ų5047%0.47227%0.268SS..Hα-helixtrans-68.9-47.6176.7-176.7176-167.500111.3E613 L617 R618 L619 Y638E613-E615 VanDerWaalsContact CD-N 3.25Å; E613-E615 PolarHBondContact O-N 2.85Å; E613-E615 PolarHBondContact OE1-N 3.07Å; E613-E615 WeakPolarHBondContact OE2-CA 3.49Å; E613-E615 VanDerWaalsContact OE2-CB 3.28Å; E613-E615 WeakPolarHBondContact OE2-CB 3.39Å; E613-E615 PolarHBondContact OE2-N 2.79Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.44Å; E615-R618 PolarHBondContact O-N 3.17Å; E615-L619 HydrophobicContact CG-CD1 4.42Å; E615-L619 WeakPolarHBondContact O-CG 3.01Å; E615-L619 PolarHBondContact O-N 2.8Å; E615-L619 VanDerWaalsContact O-N 3.07Å; E615-Y638 HydrophobicContact CG-CD2 4.43Å; E615-Y638 HydrophobicContact CG-CE2 4.21Å
616L92.1Very high87.5Confident15 Ų1550.5 Ų50.58%0.07927%0.267CS..Hα-helixtrans-60.8-41.9174.7178.857.6000111.9I579 A582 V612 E613 R618 L619 C620 L635 Y638I579-L616 HydrophobicContact CG1-CD1 4.19Å; A582-L616 HydrophobicContact CB-CD1 4.34Å; A582-L616 HydrophobicContact CB-CD2 3.7Å; A582-L616 HydrophobicContact CB-CG 3.82Å; V612-L616 HydrophobicContact CG1-CB 4.37Å; V612-L616 HydrophobicContact CG1-CD2 4.33Å; V612-L616 HydrophobicContact CG1-CG 4.15Å; E613-L616 HydrophobicContact CB-CB 4.4Å; E613-L616 PolarHBondContact O-N 3.17Å; E613-L616 VanDerWaalsContact O-N 3.16Å; E613-L616 PolarHBondContact OE2-N 3.23Å; L616-R618 PolarHBondContact O-N 2.85Å; L616-L619 PolarHBondContact O-N 3.42Å; L616-C620 WeakPolarHBondContact O-CB 3.36Å; L616-C620 PolarHBondContact O-N 2.94Å; L616-C620 PolarHBondContact O-SG 3.29Å; L616-C620 VanDerWaalsContact O-SG 3.41Å; L616-L635 HydrophobicContact CD1-CD1 3.97Å; L616-Y638 HydrophobicContact CB-CE1 4.25Å; L616-Y638 HydrophobicContact CD1-CD1 4.1Å; L616-Y638 HydrophobicContact CD1-CE1 3.76Å; L616-Y638 HydrophobicContact CG-CE1 4.39Å
617L91.6Very high88.5Confident31 Ų3154.9 Ų54.916%0.16228%0.28CS..Hα-helixtrans-57.6-49.2176.9177.560.4000110.6V586 Y609 V612 E613 E615 L619 C620 E621V586-L617 HydrophobicContact CG2-CD1 3.57Å; Y609-L617 HydrophobicContact CD2-CD1 4.14Å; Y609-L617 HydrophobicContact CE1-CD2 4.44Å; Y609-L617 HydrophobicContact CE2-CD1 3.7Å; V612-L617 HydrophobicContact CB-CB 4.16Å; V612-L617 HydrophobicContact CB-CD1 4.27Å; V612-L617 HydrophobicContact CG1-CB 3.81Å; V612-L617 HydrophobicContact CG1-CD1 4.35Å; E613-L617 WeakPolarHBondContact O-CB 3.05Å; E613-L617 PolarHBondContact O-N 3.09Å; E615-L617 VanDerWaalsContact C-N 3.34Å; E615-L617 PolarHBondContact O-N 3.44Å; L617-L619 PolarHBondContact O-N 2.85Å; L617-C620 PolarHBondContact O-N 3.3Å; L617-E621 HydrophobicContact CD1-CG 4.39Å; L617-E621 WeakPolarHBondContact O-CG 3.35Å; L617-E621 PolarHBondContact O-N 3.02Å
618R94.2Very high89.5Confident125 Ų12556.1 Ų56.147%0.47229%0.285SS..Hα-helixtrans-59.5-46.1177.7-173.2-170.865.777.4-2.2111.8P614 E615 L616 E621 D622P614-R618 PolarHBondContact O-N 3.39Å; P614-R618 VanDerWaalsContact O-N 3.13Å; E615-R618 PolarHBondContact O-N 3.17Å; L616-R618 PolarHBondContact O-N 2.85Å; R618-E621 PolarHBondContact O-N 3.08Å; R618-D622 IonicContact NH1-OD2 3.33Å; R618-D622 PolarHBondContact NH1-OD2 2.78Å; R618-D622 WeakPolarHBondContact O-CB 3.41Å; R618-D622 VanDerWaalsContact O-CG 3.3Å; R618-D622 PolarHBondContact O-N 3.35Å
619L94.1Very high89.8Confident8 Ų857.1 Ų57.14%0.04230%0.296CS..Hα-helixtrans-64.8-40.2179.5-67.9172.4000112.1E615 L616 L617 L623 A634 L635 Y638E615-L619 HydrophobicContact CG-CD1 4.42Å; E615-L619 WeakPolarHBondContact O-CG 3.01Å; E615-L619 PolarHBondContact O-N 2.8Å; E615-L619 VanDerWaalsContact O-N 3.07Å; L616-L619 PolarHBondContact O-N 3.42Å; L617-L619 PolarHBondContact O-N 2.85Å; L619-L623 PolarHBondContact O-N 3.25Å; L619-A634 HydrophobicContact CD2-CB 3.86Å; L619-L635 HydrophobicContact CB-CD1 3.77Å; L619-L635 HydrophobicContact CD1-CD1 4.34Å; L619-Y638 HydrophobicContact CD1-CD1 4.43Å; L619-Y638 HydrophobicContact CD1-CD2 3.58Å; L619-Y638 HydrophobicContact CD1-CE2 4.43Å; L619-Y638 HydrophobicContact CD1-CG 3.58Å
620C94Very high90.3Very high0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-67.3-39.9175.2-73.20000112.2V586 L616 L617 L623 V624V586-C620 HydrophobicContact CB-CB 4.44Å; V586-C620 HydrophobicContact CG2-CB 3.84Å; L616-C620 WeakPolarHBondContact O-CB 3.36Å; L616-C620 PolarHBondContact O-N 2.94Å; L616-C620 PolarHBondContact O-SG 3.29Å; L616-C620 VanDerWaalsContact O-SG 3.41Å; L617-C620 PolarHBondContact O-N 3.3Å; C620-L623 PolarHBondContact O-N 3.04Å; C620-V624 WeakPolarHBondContact O-CB 3.49Å; C620-V624 VanDerWaalsContact O-CG2 3.26Å; C620-V624 WeakPolarHBondContact O-CG2 3.47Å; C620-V624 PolarHBondContact O-N 3.42Å
621E94.7Very high90.7Very high26 Ų2651.7 Ų51.712%0.12127%0.27CS..Hα-helixtrans-63.3-44.8173.2-76.4-159154.900112.5V586 H590 Y609 L617 R618 L623 V624 L625 R627V586-E621 HydrophobicContact CG1-CG 3.89Å; V586-E621 HydrophobicContact CG2-CG 4.37Å; H590-E621 IonicContact NE2-OE1 2.83Å; Y609-E621 PolarHBondContact OH-OE1 3.04Å; L617-E621 HydrophobicContact CD1-CG 4.39Å; L617-E621 WeakPolarHBondContact O-CG 3.35Å; L617-E621 PolarHBondContact O-N 3.02Å; R618-E621 PolarHBondContact O-N 3.08Å; E621-L623 PolarHBondContact O-N 3.46Å; E621-V624 PolarHBondContact O-N 3.06Å; E621-L625 VanDerWaalsContact O-CB 3.28Å; E621-L625 WeakPolarHBondContact O-CB 3.36Å; E621-L625 PolarHBondContact O-N 2.94Å; E621-R627 IonicContact OE2-CZ 2.73Å; E621-R627 IonicContact OE2-NH1 2.74Å; E621-R627 PolarHBondContact OE2-NH1 2.89Å; E621-R627 IonicContact OE2-NH2 3.82Å
622D95.2Very high91Very high21 Ų2146.5 Ų46.511%0.11224%0.242CC..Hα-helixtrans-58.3-37.9179.6-77.8-17.2000111.2R618 N626 R627 N628 A631R618-D622 IonicContact NH1-OD2 3.33Å; R618-D622 PolarHBondContact NH1-OD2 2.78Å; R618-D622 WeakPolarHBondContact O-CB 3.41Å; R618-D622 VanDerWaalsContact O-CG 3.3Å; R618-D622 PolarHBondContact O-N 3.35Å; D622-N626 CarbonylContact O-C 3.59Å; D622-N626 WeakPolarHBondContact O-CA 3.36Å; D622-N626 PolarHBondContact O-N 3.18Å; D622-R627 PolarHBondContact O-N 3.07Å; D622-N628 HydrophobicContact CB-CB 4.13Å; D622-A631 HydrophobicContact CB-CB 4.06Å
623L94.9Very high91.3Very high6 Ų650.9 Ų50.93%0.03126%0.262CS..Hα-helixtrans-76.9-51.9176.9-175.965.5000113.1I532 Y573 M583 L619 C620 E621 L625 N626 A631 T632 L635I532-L623 HydrophobicContact CD1-CG 4.07Å; I532-L623 HydrophobicContact CG1-CG 4.46Å; Y573-L623 HydrophobicContact CE2-CD2 3.73Å; M583-L623 HydrophobicContact CE-CD2 3.86Å; M583-L623 HydrophobicContact SD-CD2 4.47Å; L619-L623 PolarHBondContact O-N 3.25Å; C620-L623 PolarHBondContact O-N 3.04Å; E621-L623 PolarHBondContact O-N 3.46Å; L623-L625 VanDerWaalsContact C-N 3.32Å; L623-L625 PolarHBondContact O-N 3.17Å; L623-N626 PolarHBondContact O-N 3.27Å; L623-A631 HydrophobicContact CB-CB 4.03Å; L623-A631 HydrophobicContact CD1-CB 4.15Å; L623-T632 WeakPolarHBondContact CD1-OG1 3.12Å; L623-L635 HydrophobicContact CD2-CD2 3.56Å
624V94.5Very high91.2Very high0 Ų048.1 Ų48.10%025%0.254CS..Hα-helixtrans-65.9-36.1-175.2170.30000111.8I532 A543 V586 F587 C620 E621I532-V624 HydrophobicContact CD1-CB 4.39Å; I532-V624 HydrophobicContact CD1-CG2 3.97Å; A543-V624 HydrophobicContact CB-CG1 4.36Å; A543-V624 WeakPolarHBondContact CB-O 3.39Å; V586-V624 HydrophobicContact CG1-CB 3.94Å; V586-V624 HydrophobicContact CG1-CG1 4.11Å; V586-V624 HydrophobicContact CG1-CG2 4.11Å; F587-V624 HydrophobicContact CB-CG1 4.22Å; F587-V624 HydrophobicContact CD2-CG1 4.11Å; C620-V624 WeakPolarHBondContact O-CB 3.49Å; C620-V624 VanDerWaalsContact O-CG2 3.26Å; C620-V624 WeakPolarHBondContact O-CG2 3.47Å; C620-V624 PolarHBondContact O-N 3.42Å; E621-V624 PolarHBondContact O-N 3.06Å
625L95.3Very high91.3Very high36 Ų3643.3 Ų43.319%0.18822%0.223CC..THydrogen-bonded Turntrans-978-179.5-60.1177.5000113.5V544 I547 H590 E621 L623 R627V544-L625 WeakPolarHBondContact CG2-O 3.36Å; I547-L625 HydrophobicContact CD1-CD2 4.29Å; H590-L625 HydrophobicContact CB-CD2 4.33Å; E621-L625 VanDerWaalsContact O-CB 3.28Å; E621-L625 WeakPolarHBondContact O-CB 3.36Å; E621-L625 PolarHBondContact O-N 2.94Å; L623-L625 VanDerWaalsContact C-N 3.32Å; L623-L625 PolarHBondContact O-N 3.17Å; L625-R627 HydrophobicContact CB-CG 3.95Å; L625-R627 VanDerWaalsContact CD1-CZ 3.45Å; L625-R627 PolarHBondContact O-N 3.42Å
626N94Very high91.1Very high52 Ų5242.5 Ų42.528%0.27822%0.221SC..THydrogen-bonded Turntrans45.245.3-177-165.522.7000113.4D541 V544 D622 L623D541-N626 PolarHBondContact OD1-ND2 2.93Å; V544-N626 HydrophobicContact CG2-CB 4.07Å; D622-N626 CarbonylContact O-C 3.59Å; D622-N626 WeakPolarHBondContact O-CA 3.36Å; D622-N626 PolarHBondContact O-N 3.18Å; L623-N626 PolarHBondContact O-N 3.27Å
627R91.1Very high90.7Very high143 Ų14348.4 Ų48.454%0.5425%0.248SC..  trans-81.9-22.1-178.7-65.3177.3179.2165.93.8112.8E621 D622 L625E621-R627 IonicContact OE2-CZ 2.73Å; E621-R627 IonicContact OE2-NH1 2.74Å; E621-R627 PolarHBondContact OE2-NH1 2.89Å; E621-R627 IonicContact OE2-NH2 3.82Å; D622-R627 PolarHBondContact O-N 3.07Å; L625-R627 HydrophobicContact CB-CG 3.95Å; L625-R627 VanDerWaalsContact CD1-CZ 3.45Å; L625-R627 PolarHBondContact O-N 3.42Å
628N87.6Confident90.5Very high67 Ų6748.2 Ų48.236%0.35825%0.246SC..  trans-137.1123.3-174.9-177-11.4000110.6D622 G630 A631D622-N628 HydrophobicContact CB-CB 4.13Å; N628-G630 PolarHBondContact O-N 3.41Å; N628-G630 PolarHBondContact OD1-N 3.42Å; N628-A631 HydrophobicContact CB-CB 4.29Å; N628-A631 WeakPolarHBondContact O-CB 3.4Å; N628-A631 PolarHBondContact O-N 3.15Å
629S84.3Confident89.8Confident109 Ų10942.4 Ų42.476%0.76223%0.225SC*.THydrogen-bonded Turntrans-64.2-22.5-179.458.50000113.8
630G86.1Confident89.1Confident26 Ų2647.9 Ų47.927%0.26825%0.25SS..THydrogen-bonded Turntrans-95.514.5174.500000114.5N628 T632 E633 A634N628-G630 PolarHBondContact O-N 3.41Å; N628-G630 PolarHBondContact OD1-N 3.42Å; G630-T632 VanDerWaalsContact C-N 3.3Å; G630-T632 PolarHBondContact O-N 2.95Å; G630-E633 WeakPolarHBondContact CA-OE2 3.32Å; G630-E633 PolarHBondContact O-N 3.04Å; G630-A634 WeakPolarHBondContact O-CB 3.35Å; G630-A634 PolarHBondContact O-N 2.84Å
631A88.6Confident88.1Confident3 Ų352.1 Ų52.13%0.02528%0.28CS..Hα-helixtrans-64.1-33.7-174.900000113.2D622 L623 N628 L635D622-A631 HydrophobicContact CB-CB 4.06Å; L623-A631 HydrophobicContact CB-CB 4.03Å; L623-A631 HydrophobicContact CD1-CB 4.15Å; N628-A631 HydrophobicContact CB-CB 4.29Å; N628-A631 WeakPolarHBondContact O-CB 3.4Å; N628-A631 PolarHBondContact O-N 3.15Å; A631-L635 WeakPolarHBondContact O-CB 3.31Å; A631-L635 PolarHBondContact O-N 3.37Å
632T88.2Confident86.9Confident9 Ų955.3 Ų55.36%0.05529%0.294CS..Hα-helixtrans-65.3-49.2178.6-59.20000110.5L623 G630 L635 L636L623-T632 WeakPolarHBondContact CD1-OG1 3.12Å; G630-T632 VanDerWaalsContact C-N 3.3Å; G630-T632 PolarHBondContact O-N 2.95Å; T632-L635 PolarHBondContact O-N 3.03Å; T632-L636 HydrophobicContact CG2-CD1 4.13Å; T632-L636 WeakPolarHBondContact O-CB 3.49Å; T632-L636 VanDerWaalsContact O-CG 3.3Å; T632-L636 WeakPolarHBondContact O-CG 3.32Å; T632-L636 PolarHBondContact O-N 3.4Å
633E88.7Confident84.5Confident104 Ų10460.5 Ų60.549%0.48632%0.316SS..Hα-helixtrans-62.8-44.5177.6-65.178.8-173.300111.2G630 L635 L636 E637G630-E633 WeakPolarHBondContact CA-OE2 3.32Å; G630-E633 PolarHBondContact O-N 3.04Å; E633-L635 PolarHBondContact O-N 3.07Å; E633-L636 PolarHBondContact O-N 3.11Å; E633-E637 WeakPolarHBondContact O-CG 3.35Å; E633-E637 PolarHBondContact O-N 2.69Å
634A87.8Confident82.1Confident28 Ų2863.4 Ų63.423%0.23135%0.347CS..Hα-helixtrans-62.5-41.1179.700000112.8L619 G630 E637 Y638L619-A634 HydrophobicContact CD2-CB 3.86Å; G630-A634 WeakPolarHBondContact O-CB 3.35Å; G630-A634 PolarHBondContact O-N 2.84Å; A634-E637 PolarHBondContact O-N 3.32Å; A634-Y638 WeakPolarHBondContact O-CB 3.5Å; A634-Y638 PolarHBondContact O-N 2.99Å
635L89.6Confident79.3Confident0 Ų069.2 Ų69.20%038%0.382CS..Hα-helixtrans-72.1-32.2177.5-170.163.1000111.9Y573 I579 M583 L616 L619 L623 A631 T632 E633 Y638 A639Y573-L635 HydrophobicContact CE1-CB 4.35Å; Y573-L635 HydrophobicContact CE1-CD2 3.86Å; Y573-L635 HydrophobicContact CE1-CG 3.92Å; Y573-L635 HydrophobicContact CE2-CD2 4.1Å; I579-L635 HydrophobicContact CG2-CD1 4.11Å; I579-L635 HydrophobicContact CG2-CD2 3.87Å; I579-L635 HydrophobicContact CG2-CG 4.1Å; M583-L635 HydrophobicContact SD-CD2 4.31Å; L616-L635 HydrophobicContact CD1-CD1 3.97Å; L619-L635 HydrophobicContact CB-CD1 3.77Å; L619-L635 HydrophobicContact CD1-CD1 4.34Å; L623-L635 HydrophobicContact CD2-CD2 3.56Å; A631-L635 WeakPolarHBondContact O-CB 3.31Å; A631-L635 PolarHBondContact O-N 3.37Å; T632-L635 PolarHBondContact O-N 3.03Å; E633-L635 PolarHBondContact O-N 3.07Å; L635-Y638 PolarHBondContact O-N 3.29Å; L635-A639 WeakPolarHBondContact O-CB 3.48Å; L635-A639 PolarHBondContact O-N 3.25Å
636L85.8Confident76.2Confident83 Ų8376.4 Ų76.444%0.43541%0.412SS..Hα-helixtrans-66.6-44.2171.2-73.5170.2000111.9Y573 T632 E633 Y638 A639 E640Y573-L636 HydrophobicContact CE1-CD2 3.93Å; Y573-L636 HydrophobicContact CE1-CG 4.26Å; T632-L636 HydrophobicContact CG2-CD1 4.13Å; T632-L636 WeakPolarHBondContact O-CB 3.49Å; T632-L636 VanDerWaalsContact O-CG 3.3Å; T632-L636 WeakPolarHBondContact O-CG 3.32Å; T632-L636 PolarHBondContact O-N 3.4Å; E633-L636 PolarHBondContact O-N 3.11Å; L636-Y638 VanDerWaalsContact C-N 3.32Å; L636-Y638 PolarHBondContact O-N 3.48Å; L636-A639 CarbonylContact O-C 3.58Å; L636-A639 WeakPolarHBondContact O-CA 3.42Å; L636-A639 WeakPolarHBondContact O-CB 3.47Å; L636-A639 PolarHBondContact O-N 2.89Å; L636-A639 VanDerWaalsContact O-N 3.12Å; L636-E640 VanDerWaalsContact O-CG 3.31Å; L636-E640 WeakPolarHBondContact O-CG 3.42Å; L636-E640 PolarHBondContact O-N 3.37Å
637E85.1Confident73.4Confident139 Ų13979.4 Ų79.465%0.6544%0.438SS*.Hα-helixtrans-60.3-41173.8-75.6-178.8179.400111.7E633 A634 E640 S641E633-E637 WeakPolarHBondContact O-CG 3.35Å; E633-E637 PolarHBondContact O-N 2.69Å; A634-E637 PolarHBondContact O-N 3.32Å; E637-E640 PolarHBondContact O-N 3.34Å; E637-S641 WeakPolarHBondContact O-CB 3.23Å; E637-S641 PolarHBondContact O-N 2.94Å; E637-S641 PolarHBondContact O-OG 3.46Å
638Y85.7Confident70.3Confident28 Ų2876.5 Ų76.511%0.1144%0.439CS..Hα-helixtrans-61.2-44.5171.7-177-88.4000111.7I579 E615 L616 L619 A634 L635 L636 E640 S641 H642I579-Y638 HydrophobicContact CD1-CD1 4.35Å; E615-Y638 HydrophobicContact CG-CD2 4.43Å; E615-Y638 HydrophobicContact CG-CE2 4.21Å; L616-Y638 HydrophobicContact CB-CE1 4.25Å; L616-Y638 HydrophobicContact CD1-CD1 4.1Å; L616-Y638 HydrophobicContact CD1-CE1 3.76Å; L616-Y638 HydrophobicContact CG-CE1 4.39Å; L619-Y638 HydrophobicContact CD1-CD1 4.43Å; L619-Y638 HydrophobicContact CD1-CD2 3.58Å; L619-Y638 HydrophobicContact CD1-CE2 4.43Å; L619-Y638 HydrophobicContact CD1-CG 3.58Å; A634-Y638 WeakPolarHBondContact O-CB 3.5Å; A634-Y638 PolarHBondContact O-N 2.99Å; L635-Y638 PolarHBondContact O-N 3.29Å; L636-Y638 VanDerWaalsContact C-N 3.32Å; L636-Y638 PolarHBondContact O-N 3.48Å; Y638-E640 VanDerWaalsContact C-N 3.3Å; Y638-E640 PolarHBondContact O-N 2.99Å; Y638-S641 WeakPolarHBondContact CA-OG 3.31Å; Y638-S641 PolarHBondContact O-N 3.15Å; Y638-S641 PolarHBondContact O-OG 3.43Å; Y638-H642 AromaticContact CD2-CE1 3.82Å; Y638-H642 AromaticContact CD2-ND1 3.91Å; Y638-H642 AromaticContact CE1-ND1 3.99Å; Y638-H642 AromaticContact CE2-CE1 3.36Å; Y638-H642 WeakPolarHBondContact CE2-CE1 3.45Å; Y638-H642 AromaticContact CE2-ND1 3.74Å; Y638-H642 AromaticContact CZ-CE1 3.62Å; Y638-H642 AromaticContact CZ-ND1 3.78Å; Y638-H642 PolarHBondContact O-N 3.04Å; Y638-H642 VanDerWaalsContact O-N 3.14Å; Y638-H642 PolarHBondContact O-ND1 3.22Å
639A81.4Confident67.4Low3 Ų383.2 Ų83.23%0.02547%0.465CS..Hα-helixtrans-61-38.6176.300000112.2I579 L635 L636 K643I579-A639 HydrophobicContact CD1-CB 3.37Å; L635-A639 WeakPolarHBondContact O-CB 3.48Å; L635-A639 PolarHBondContact O-N 3.25Å; L636-A639 CarbonylContact O-C 3.58Å; L636-A639 WeakPolarHBondContact O-CA 3.42Å; L636-A639 WeakPolarHBondContact O-CB 3.47Å; L636-A639 PolarHBondContact O-N 2.89Å; L636-A639 VanDerWaalsContact O-N 3.12Å; A639-K643 WeakPolarHBondContact O-CG 3.35Å; A639-K643 PolarHBondContact O-N 3.37Å; A639-K643 VanDerWaalsContact O-N 3.16Å
640E79Confident64.8Low123 Ų12381.3 Ų81.358%0.57545%0.449SS*.Hα-helixtrans-72.9-44.1177.6-64.7-141.312700113.2L636 E637 Y638 H642 K643L636-E640 VanDerWaalsContact O-CG 3.31Å; L636-E640 WeakPolarHBondContact O-CG 3.42Å; L636-E640 PolarHBondContact O-N 3.37Å; E637-E640 PolarHBondContact O-N 3.34Å; Y638-E640 VanDerWaalsContact C-N 3.3Å; Y638-E640 PolarHBondContact O-N 2.99Å; E640-H642 PolarHBondContact O-N 3.01Å; E640-K643 HydrophobicContact CG-CD 4.47Å; E640-K643 WeakPolarHBondContact O-CB 3.42Å; E640-K643 PolarHBondContact O-N 3Å; E640-K643 IonicContact OE1-NZ 2.94Å; E640-K643 PolarHBondContact OE1-NZ 3.44Å
641S73.3Confident62.1Low89 Ų8987.3 Ų87.362%0.62248%0.475SS*.Hα-helixtrans-61.7-26.2176.454.30000112.5E637 Y638E637-S641 WeakPolarHBondContact O-CB 3.23Å; E637-S641 PolarHBondContact O-N 2.94Å; E637-S641 PolarHBondContact O-OG 3.46Å; Y638-S641 WeakPolarHBondContact CA-OG 3.31Å; Y638-S641 PolarHBondContact O-N 3.15Å; Y638-S641 PolarHBondContact O-OG 3.43Å
642H68Low59.9Low92 Ų9295.4 Ų95.443%0.42652%0.518SS..THydrogen-bonded Turntrans-101.39.6175.5-65.678.7000114.1Y638 E640 G644Y638-H642 AromaticContact CD2-CE1 3.82Å; Y638-H642 AromaticContact CD2-ND1 3.91Å; Y638-H642 AromaticContact CE1-ND1 3.99Å; Y638-H642 AromaticContact CE2-CE1 3.36Å; Y638-H642 WeakPolarHBondContact CE2-CE1 3.45Å; Y638-H642 AromaticContact CE2-ND1 3.74Å; Y638-H642 AromaticContact CZ-CE1 3.62Å; Y638-H642 AromaticContact CZ-ND1 3.78Å; Y638-H642 PolarHBondContact O-N 3.04Å; Y638-H642 VanDerWaalsContact O-N 3.14Å; Y638-H642 PolarHBondContact O-ND1 3.22Å; E640-H642 PolarHBondContact O-N 3.01Å; H642-G644 PolarHBondContact O-N 3.44Å
643K44.8Very low57.8Low131 Ų13198.1 Ų98.157%0.5753%0.534SS*.THydrogen-bonded Turntrans-68.579.3168.8-85.3174.7-174.1167.70109.7A639 E640A639-K643 WeakPolarHBondContact O-CG 3.35Å; A639-K643 PolarHBondContact O-N 3.37Å; A639-K643 VanDerWaalsContact O-N 3.16Å; E640-K643 HydrophobicContact CG-CD 4.47Å; E640-K643 WeakPolarHBondContact O-CB 3.42Å; E640-K643 PolarHBondContact O-N 3Å; E640-K643 IonicContact OE1-NZ 2.94Å; E640-K643 PolarHBondContact OE1-NZ 3.44Å
644G45.2Very low56.7Low66 Ų6695.6 Ų95.668%0.6853%0.531SS*.THydrogen-bonded Turntrans175-21.3-178.200000114.8H642 K646H642-G644 PolarHBondContact O-N 3.44Å; G644-K646 PolarHBondContact O-N 2.8Å
645T36.3Very low56Low122 Ų122102.6 Ų102.675%0.74856%0.559SS**  trans-76.267.8168.8-280000108.6S647T645-S647 PolarHBondContact O-N 2.77Å; T645-S647 VanDerWaalsContact O-N 3.12Å
646K29.9Very low55.5Low187 Ų187103.9 Ų103.981%0.81356%0.563SS**  trans-52.5121159-83.3178.9176174.10105.4G644 S648G644-K646 PolarHBondContact O-N 2.8Å; K646-S648 VanDerWaalsContact C-N 3.3Å; K646-S648 PolarHBondContact O-N 3.39Å
647S34.3Very low55.7Low116 Ų116102.2 Ų102.281%0.81155%0.551SS**  trans-49.4109.8156.346.70000105.4T645 K649T645-S647 PolarHBondContact O-N 2.77Å; T645-S647 VanDerWaalsContact O-N 3.12Å; S647-K649 PolarHBondContact O-N 3.36Å
648S27.2Very low55.6Low82 Ų82101.1 Ų101.157%0.57355%0.549SS*.  trans-56.9115.1-174.6410000106.9K646 V650K646-S648 VanDerWaalsContact C-N 3.3Å; K646-S648 PolarHBondContact O-N 3.39Å; S648-V650 VanDerWaalsContact CB-CG2 3.48Å; S648-V650 PolarHBondContact O-N 3.41Å; S648-V650 WeakPolarHBondContact OG-CG2 3.38Å
649K25.8Very low55.7Low208 Ų208103.2 Ų103.290%0.90456%0.562SS**  trans-65.277.3151.9-82.9-172.3172.7-173.40105.9S647S647-K649 PolarHBondContact O-N 3.36Å
650V29.3Very low56Low68 Ų68104.8 Ų104.841%0.41258%0.578SS.*  trans-72.1119.7163.9-174.80000104.4S648 D652 V653S648-V650 VanDerWaalsContact CB-CG2 3.48Å; S648-V650 PolarHBondContact O-N 3.41Å; S648-V650 WeakPolarHBondContact OG-CG2 3.38Å; V650-D652 PolarHBondContact O-N 3.42Å; V650-D652 VanDerWaalsContact O-N 3.07Å; V650-V653 HydrophobicContact CG1-CB 3.98Å; V650-V653 HydrophobicContact CG1-CG2 3.9Å
651D30.9Very low56.6Low152 Ų15299.3 Ų99.381%0.81355%0.553SS**SBendtrans-44.2113.4174.4-71.6-46.7000110.7V653D651-V653 WeakPolarHBondContact O-CG2 3.42Å; D651-V653 PolarHBondContact O-N 3.25Å
652D40.7Very low57.4Low174 Ų17498.9 Ų98.993%0.9354%0.541SS*.SBendtrans34.825.8166.6-97.7-10.3000118.8V650 A654V650-D652 PolarHBondContact O-N 3.42Å; V650-D652 VanDerWaalsContact O-N 3.07Å; D652-A654 PolarHBondContact O-N 3.44Å
653V44.4Very low58.4Low66 Ų6699.5 Ų99.540%0.455%0.545SS..  trans-84.294.5163.5179.80000104.4V650 D651 E655 R657V650-V653 HydrophobicContact CG1-CB 3.98Å; V650-V653 HydrophobicContact CG1-CG2 3.9Å; D651-V653 WeakPolarHBondContact O-CG2 3.42Å; D651-V653 PolarHBondContact O-N 3.25Å; V653-E655 PolarHBondContact O-N 3.27Å; V653-R657 HydrophobicContact CG1-CB 3.42Å; V653-R657 VanDerWaalsContact CG1-CB 3.42Å; V653-R657 HydrophobicContact CG1-CG 4.1Å
654A65.4Low60.8Low50 Ų5094.3 Ų94.341%0.41352%0.521SS..  trans-42.1128.8178.200000109.8D652 W656 R657D652-A654 PolarHBondContact O-N 3.44Å; A654-W656 VanDerWaalsContact CB-NE1 3.31Å; A654-W656 PolarHBondContact O-N 3.43Å; A654-R657 WeakPolarHBondContact O-CB 3.45Å; A654-R657 PolarHBondContact O-N 3.45Å
655E73.8Confident63Low175 Ų17591.1 Ų91.182%0.81849%0.489SS*.G310 helixtrans-46.8-32.9-165.9-70.5178.6159.800114.2V653 R657 L658V653-E655 PolarHBondContact O-N 3.27Å; E655-R657 VanDerWaalsContact C-N 3.26Å; E655-R657 PolarHBondContact O-N 3.03Å; E655-L658 WeakPolarHBondContact O-CB 3.45Å; E655-L658 PolarHBondContact O-N 3.41Å; E655-L658 VanDerWaalsContact O-N 3.14Å
656W79Confident65.5Low27 Ų2786.6 Ų86.610%0.10246%0.461CS..G310 helixtrans-63.3-24.4177.672.6-91.8000114.8A654 L658 L659 R664 H667 S668 I673 F676A654-W656 VanDerWaalsContact CB-NE1 3.31Å; A654-W656 PolarHBondContact O-N 3.43Å; W656-L658 PolarHBondContact O-N 2.93Å; W656-L659 HydrophobicContact CB-CD1 4.11Å; W656-L659 VanDerWaalsContact O-CB 3.3Å; W656-L659 WeakPolarHBondContact O-CB 3.49Å; W656-L659 VanDerWaalsContact O-CG 3.27Å; W656-L659 WeakPolarHBondContact O-CG 3.31Å; W656-L659 PolarHBondContact O-N 3.03Å; W656-R664 HydrophobicContact CE3-CB 4.26Å; W656-R664 HydrophobicContact CE3-CG 4.29Å; W656-R664 HydrophobicContact CZ3-CB 4.08Å; W656-R664 HydrophobicContact CZ3-CG 4.47Å; W656-R664 WeakPolarHBondContact O-CG 3.36Å; W656-H667 HydrophobicContact CB-CB 4.48Å; W656-H667 WeakPolarHBondContact CB-CE1 3.18Å; W656-H667 WeakPolarHBondContact CB-NE2 3.43Å; W656-H667 AromaticContact CD1-CD2 3.84Å; W656-H667 AromaticContact CD1-NE2 3.38Å; W656-H667 AromaticContact CD2-CD2 3.26Å; W656-H667 AromaticContact CD2-CG 3.94Å; W656-H667 AromaticContact CD2-NE2 3.68Å; W656-H667 AromaticContact CE2-CD2 3.82Å; W656-H667 HydrophobicContact CE3-CB 4.02Å; W656-H667 AromaticContact CE3-CD2 3.53Å; W656-H667 AromaticContact CE3-CG 3.91Å; W656-H667 AromaticContact CG-CD2 3.3Å; W656-H667 AromaticContact CG-CE1 3.72Å; W656-H667 AromaticContact CG-CG 3.86Å; W656-H667 AromaticContact CG-NE2 3.22Å; W656-H667 AromaticContact NE1-NE2 3.89Å; W656-S668 WeakPolarHBondContact CH2-OG 3.49Å; W656-S668 VanDerWaalsContact CZ3-OG 3.24Å; W656-S668 WeakPolarHBondContact CZ3-OG 3.25Å; W656-I673 HydrophobicContact CH2-CD1 4.23Å; W656-I673 HydrophobicContact CH2-CG2 4.41Å; W656-I673 HydrophobicContact CZ2-CD1 3.6Å; W656-I673 HydrophobicContact CZ2-CG2 4.23Å; W656-F676 HydrophobicContact CH2-CB 4.35Å; W656-F676 AromaticContact CH2-CD2 3.73Å; W656-F676 HydrophobicContact CH2-CD2 3.73Å; W656-F676 HydrophobicContact CH2-CG 4.42Å; W656-F676 AromaticContact CZ2-CD2 3.76Å; W656-F676 HydrophobicContact CZ2-CD2 3.76Å; W656-F676 HydrophobicContact CZ2-CE2 4.14Å
657R89.4Confident68.3Low49 Ų4980 Ų8019%0.18543%0.433CS..G310 helixtrans-69.1-15175.5-69.9-57.6-56.2158-1.4113V653 A654 E655 L659 R664 D680V653-R657 HydrophobicContact CG1-CB 3.42Å; V653-R657 VanDerWaalsContact CG1-CB 3.42Å; V653-R657 HydrophobicContact CG1-CG 4.1Å; A654-R657 WeakPolarHBondContact O-CB 3.45Å; A654-R657 PolarHBondContact O-N 3.45Å; E655-R657 VanDerWaalsContact C-N 3.26Å; E655-R657 PolarHBondContact O-N 3.03Å; R657-L659 VanDerWaalsContact C-N 3.32Å; R657-R664 WeakPolarHBondContact O-CD 3.22Å; R657-D680 IonicContact CZ-OD1 3.51Å; R657-D680 IonicContact CZ-OD2 3.2Å; R657-D680 IonicContact NH1-OD1 2.63Å; R657-D680 PolarHBondContact NH1-OD1 3.5Å; R657-D680 IonicContact NH1-OD2 3.81Å; R657-D680 PolarHBondContact NH1-OD2 3.33Å; R657-D680 IonicContact NH2-OD1 3.74Å; R657-D680 PolarHBondContact NH2-OD1 3.22Å; R657-D680 IonicContact NH2-OD2 2.94Å
658L84Confident70.9Confident115 Ų11574.5 Ų74.560%0.60239%0.394SS*.G310 helixtrans-83.9-9.1174.9-59.1174.5000112.8E655 W656E655-L658 WeakPolarHBondContact O-CB 3.45Å; E655-L658 PolarHBondContact O-N 3.41Å; E655-L658 VanDerWaalsContact O-N 3.14Å; W656-L658 PolarHBondContact O-N 2.93Å
659L86.8Confident73.8Confident73 Ų7370.6 Ų70.638%0.38237%0.367SS..SBendtrans-72.4163.9177.2-55.6172000111.2W656 R657 E663 R664W656-L659 HydrophobicContact CB-CD1 4.11Å; W656-L659 VanDerWaalsContact O-CB 3.3Å; W656-L659 WeakPolarHBondContact O-CB 3.49Å; W656-L659 VanDerWaalsContact O-CG 3.27Å; W656-L659 WeakPolarHBondContact O-CG 3.31Å; W656-L659 PolarHBondContact O-N 3.03Å; R657-L659 VanDerWaalsContact C-N 3.32Å; L659-E663 HydrophobicContact CB-CB 3.7Å; L659-E663 HydrophobicContact CD1-CB 4.13Å; L659-E663 HydrophobicContact CG-CB 4.44Å; L659-R664 HydrophobicContact CB-CG 4.11Å; L659-R664 WeakPolarHBondContact O-CD 3.48Å; L659-R664 WeakPolarHBondContact O-CG 3.45Å; L659-R664 PolarHBondContact O-NH1 3.29Å
660G88.5Confident76.5Confident35 Ų3562 Ų6236%0.36133%0.332SS..  trans-64.2157.6172.900000112.1E662 E663 R664G660-E662 PolarHBondContact O-N 2.95Å; G660-E662 VanDerWaalsContact O-N 3.11Å; G660-E663 WeakPolarHBondContact CA-OE2 3.44Å; G660-E663 PolarHBondContact N-OE2 3.43Å; G660-E663 WeakPolarHBondContact O-CB 3.24Å; G660-E663 PolarHBondContact O-N 2.99Å; G660-R664 WeakPolarHBondContact O-CG 3.02Å; G660-R664 PolarHBondContact O-N 3.43Å
661V91.6Very high79Confident8 Ų865.4 Ų65.45%0.04834%0.341CS..Hα-helixtrans-54-37.9-173.272.80000113.1E663 R664 L665 D680 E683 A684 M687V661-E663 PolarHBondContact O-N 2.93Å; V661-R664 PolarHBondContact O-N 3.15Å; V661-L665 VanDerWaalsContact O-CG 3.31Å; V661-L665 WeakPolarHBondContact O-CG 3.47Å; V661-L665 PolarHBondContact O-N 3.37Å; V661-D680 HydrophobicContact CG2-CB 4.23Å; V661-D680 WeakPolarHBondContact CG2-O 3.33Å; V661-E683 HydrophobicContact CG2-CB 4.04Å; V661-E683 HydrophobicContact CG2-CG 4.18Å; V661-A684 HydrophobicContact CG1-CB 4.27Å; V661-A684 HydrophobicContact CG2-CB 4.01Å; V661-M687 HydrophobicContact CB-CE 4.03Å; V661-M687 HydrophobicContact CG1-CE 3.49Å; V661-M687 VanDerWaalsContact CG1-CE 3.49Å; V661-M687 HydrophobicContact CG1-SD 3.65Å
662E89.7Confident81.3Confident80 Ų8058.7 Ų58.737%0.37431%0.308SS..Hα-helixtrans-62.2-45.4177.6-55.3-168.8172.500112G660 R664 L665 V666 Y691 P701G660-E662 PolarHBondContact O-N 2.95Å; G660-E662 VanDerWaalsContact O-N 3.11Å; E662-R664 VanDerWaalsContact C-N 3.34Å; E662-L665 PolarHBondContact O-N 2.8Å; E662-V666 VanDerWaalsContact O-CG2 3.31Å; E662-V666 WeakPolarHBondContact O-CG2 3.21Å; E662-V666 PolarHBondContact O-N 3.29Å; E662-Y691 HydrophobicContact CG-CE2 4.46Å; E662-Y691 WeakPolarHBondContact CG-OH 3.14Å; E662-Y691 PolarHBondContact OE1-OH 3.48Å; E662-P701 HydrophobicContact CB-CB 4.19Å
663E89.8Confident83.3Confident106 Ų10652.4 Ų52.450%0.49527%0.274SS..Hα-helixtrans-71.2-32.8-179.8-66146.3165.100110.9L659 G660 V661 H667L659-E663 HydrophobicContact CB-CB 3.7Å; L659-E663 HydrophobicContact CD1-CB 4.13Å; L659-E663 HydrophobicContact CG-CB 4.44Å; G660-E663 WeakPolarHBondContact CA-OE2 3.44Å; G660-E663 PolarHBondContact N-OE2 3.43Å; G660-E663 WeakPolarHBondContact O-CB 3.24Å; G660-E663 PolarHBondContact O-N 2.99Å; V661-E663 PolarHBondContact O-N 2.93Å; E663-H667 WeakPolarHBondContact O-CB 3.29Å; E663-H667 PolarHBondContact O-N 3.1Å
664R93.8Very high85.1Confident21 Ų2152.2 Ų52.28%0.07927%0.27CS..Hα-helixtrans-68.2-40172.8-63.9-163.6-48.3-98.82.8112.6W656 R657 L659 G660 V661 E662 H667 S668 D680 E683W656-R664 HydrophobicContact CE3-CB 4.26Å; W656-R664 HydrophobicContact CE3-CG 4.29Å; W656-R664 HydrophobicContact CZ3-CB 4.08Å; W656-R664 HydrophobicContact CZ3-CG 4.47Å; W656-R664 WeakPolarHBondContact O-CG 3.36Å; R657-R664 WeakPolarHBondContact O-CD 3.22Å; L659-R664 HydrophobicContact CB-CG 4.11Å; L659-R664 WeakPolarHBondContact O-CD 3.48Å; L659-R664 WeakPolarHBondContact O-CG 3.45Å; L659-R664 PolarHBondContact O-NH1 3.29Å; G660-R664 WeakPolarHBondContact O-CG 3.02Å; G660-R664 PolarHBondContact O-N 3.43Å; V661-R664 PolarHBondContact O-N 3.15Å; E662-R664 VanDerWaalsContact C-N 3.34Å; R664-H667 PolarHBondContact O-N 2.92Å; R664-S668 WeakPolarHBondContact O-CB 3.38Å; R664-S668 PolarHBondContact O-N 3.32Å; R664-S668 PolarHBondContact O-OG 3.1Å; R664-D680 IonicContact CZ-OD1 3.93Å; R664-D680 IonicContact NE-OD1 2.66Å; R664-D680 PolarHBondContact NE-OD1 3.26Å; R664-D680 IonicContact NH2-OD1 3.49Å; R664-D680 PolarHBondContact NH2-OD1 3.19Å; R664-E683 IonicContact CZ-OE1 3.62Å; R664-E683 IonicContact CZ-OE2 3.6Å; R664-E683 IonicContact NH1-OE1 2.67Å; R664-E683 IonicContact NH2-OE1 3.03Å; R664-E683 PolarHBondContact NH2-OE1 2.92Å; R664-E683 IonicContact NH2-OE2 3.83Å; R664-E683 PolarHBondContact NH2-OE2 2.94Å
665L91.9Very high85.9Confident0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-62.9-48.7173.2-73.5173.7000110.8V661 E662 H667 S668 L669 I677 D680 A684 I697 P701 L702V661-L665 VanDerWaalsContact O-CG 3.31Å; V661-L665 WeakPolarHBondContact O-CG 3.47Å; V661-L665 PolarHBondContact O-N 3.37Å; E662-L665 PolarHBondContact O-N 2.8Å; L665-H667 PolarHBondContact O-N 2.87Å; L665-S668 PolarHBondContact O-N 2.82Å; L665-L669 WeakPolarHBondContact O-CG 3.46Å; L665-L669 PolarHBondContact O-N 2.93Å; L665-I677 HydrophobicContact CD2-CD1 3.77Å; L665-D680 HydrophobicContact CD2-CB 3.61Å; L665-D680 HydrophobicContact CG-CB 4.09Å; L665-A684 HydrophobicContact CD1-CB 4.03Å; L665-I697 HydrophobicContact CD1-CG2 4.14Å; L665-P701 HydrophobicContact CB-CB 4.28Å; L665-P701 HydrophobicContact CD1-CB 3.97Å; L665-P701 HydrophobicContact CD1-CG 3.81Å; L665-L702 HydrophobicContact CB-CD2 4.42Å; L665-L702 HydrophobicContact CD2-CD2 4.11Å
666V89.2Confident86.6Confident26 Ų2651.5 Ų51.516%0.15826%0.255CS..Hα-helixtrans-59.5-46175.4169.30000110.9E662 L669 V670 P701 K704E662-V666 VanDerWaalsContact O-CG2 3.31Å; E662-V666 WeakPolarHBondContact O-CG2 3.21Å; E662-V666 PolarHBondContact O-N 3.29Å; V666-L669 PolarHBondContact O-N 3.3Å; V666-V670 HydrophobicContact CG1-CG2 4.22Å; V666-V670 WeakPolarHBondContact O-CB 3.46Å; V666-V670 VanDerWaalsContact O-CG2 3.27Å; V666-V670 WeakPolarHBondContact O-CG2 3.41Å; V666-V670 PolarHBondContact O-N 2.85Å; V666-P701 WeakPolarHBondContact CG2-O 3.41Å; V666-K704 HydrophobicContact CG2-CB 4.34Å; V666-K704 HydrophobicContact CG2-CD 4.34Å; V666-K704 HydrophobicContact CG2-CG 4.29Å
667H88Confident87.2Confident50 Ų5050.2 Ų50.223%0.23125%0.251CS..Hα-helixtrans-62.2-45.5178.8-17297.7000112W656 E663 R664 L665 L669 V670 K671W656-H667 HydrophobicContact CB-CB 4.48Å; W656-H667 WeakPolarHBondContact CB-CE1 3.18Å; W656-H667 WeakPolarHBondContact CB-NE2 3.43Å; W656-H667 AromaticContact CD1-CD2 3.84Å; W656-H667 AromaticContact CD1-NE2 3.38Å; W656-H667 AromaticContact CD2-CD2 3.26Å; W656-H667 AromaticContact CD2-CG 3.94Å; W656-H667 AromaticContact CD2-NE2 3.68Å; W656-H667 AromaticContact CE2-CD2 3.82Å; W656-H667 HydrophobicContact CE3-CB 4.02Å; W656-H667 AromaticContact CE3-CD2 3.53Å; W656-H667 AromaticContact CE3-CG 3.91Å; W656-H667 AromaticContact CG-CD2 3.3Å; W656-H667 AromaticContact CG-CE1 3.72Å; W656-H667 AromaticContact CG-CG 3.86Å; W656-H667 AromaticContact CG-NE2 3.22Å; W656-H667 AromaticContact NE1-NE2 3.89Å; E663-H667 WeakPolarHBondContact O-CB 3.29Å; E663-H667 PolarHBondContact O-N 3.1Å; R664-H667 PolarHBondContact O-N 2.92Å; L665-H667 PolarHBondContact O-N 2.87Å; H667-L669 VanDerWaalsContact C-N 3.3Å; H667-L669 PolarHBondContact O-N 3.16Å; H667-V670 PolarHBondContact O-N 3.06Å; H667-K671 VanDerWaalsContact O-CB 3.32Å; H667-K671 WeakPolarHBondContact O-CB 3.21Å; H667-K671 WeakPolarHBondContact O-CG 2.95Å; H667-K671 PolarHBondContact O-N 3.46Å
668S89.6Confident87.2Confident0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-61-40.3178.5-62.40000111.6W656 R664 L665 G672 I673W656-S668 WeakPolarHBondContact CH2-OG 3.49Å; W656-S668 VanDerWaalsContact CZ3-OG 3.24Å; W656-S668 WeakPolarHBondContact CZ3-OG 3.25Å; R664-S668 WeakPolarHBondContact O-CB 3.38Å; R664-S668 PolarHBondContact O-N 3.32Å; R664-S668 PolarHBondContact O-OG 3.1Å; L665-S668 PolarHBondContact O-N 2.82Å; S668-G672 CarbonylContact O-C 3.59Å; S668-G672 WeakPolarHBondContact O-CA 3.5Å; S668-G672 PolarHBondContact O-N 3.21Å; S668-I673 PolarHBondContact O-N 3.29Å
669L87.4Confident87.6Confident0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-66.6-52.8174.4-70.9170.3000111.8L665 V666 H667 K671 G672 L702 M706 S726 V729 M730L665-L669 WeakPolarHBondContact O-CG 3.46Å; L665-L669 PolarHBondContact O-N 2.93Å; V666-L669 PolarHBondContact O-N 3.3Å; H667-L669 VanDerWaalsContact C-N 3.3Å; H667-L669 PolarHBondContact O-N 3.16Å; L669-K671 PolarHBondContact O-N 3.32Å; L669-G672 PolarHBondContact O-N 2.84Å; L669-G672 VanDerWaalsContact O-N 3.15Å; L669-L702 HydrophobicContact CD1-CB 4.25Å; L669-L702 HydrophobicContact CD1-CD2 3.76Å; L669-L702 VanDerWaalsContact CD1-O 3.24Å; L669-L702 WeakPolarHBondContact CD1-O 3.33Å; L669-L702 HydrophobicContact CG-CD2 4.42Å; L669-M706 HydrophobicContact CB-SD 4.42Å; L669-M706 HydrophobicContact CD1-CG 4.31Å; L669-M706 HydrophobicContact CD1-SD 4.49Å; L669-M706 HydrophobicContact CD2-SD 3.91Å; L669-S726 WeakPolarHBondContact O-CB 3.44Å; L669-S726 PolarHBondContact O-OG 3.11Å; L669-V729 HydrophobicContact CD2-CB 4.14Å; L669-V729 HydrophobicContact CD2-CG1 3.9Å; L669-M730 HydrophobicContact CD2-CB 3.74Å; L669-M730 HydrophobicContact CD2-CG 4.39Å
670V82.6Confident87.9Confident28 Ų2848.6 Ų48.617%0.1724%0.242CC..Hα-helixtrans-61.9-32.3-178.1172.20000112.2V666 H667 V708 V709 L712 M718V666-V670 HydrophobicContact CG1-CG2 4.22Å; V666-V670 WeakPolarHBondContact O-CB 3.46Å; V666-V670 VanDerWaalsContact O-CG2 3.27Å; V666-V670 WeakPolarHBondContact O-CG2 3.41Å; V666-V670 PolarHBondContact O-N 2.85Å; H667-V670 PolarHBondContact O-N 3.06Å; V670-V708 HydrophobicContact CG2-CB 3.97Å; V670-V708 HydrophobicContact CG2-CG1 3.66Å; V670-V709 HydrophobicContact CG2-CG2 4.28Å; V670-L712 HydrophobicContact CG1-CD1 4.05Å; V670-M718 WeakPolarHBondContact O-CE 3.07Å
671K82.8Confident88Confident138 Ų13846.9 Ų46.960%0.623%0.225SC*.Hα-helixtrans-96.1-4.1178.5-61.5-56.8-174.1-178.10114.4H667 L669 I673H667-K671 VanDerWaalsContact O-CB 3.32Å; H667-K671 WeakPolarHBondContact O-CB 3.21Å; H667-K671 WeakPolarHBondContact O-CG 2.95Å; H667-K671 PolarHBondContact O-N 3.46Å; L669-K671 PolarHBondContact O-N 3.32Å; K671-I673 HydrophobicContact CB-CD1 3.88Å; K671-I673 HydrophobicContact CB-CG1 3.89Å
672G79.1Confident88Confident11 Ų1148.7 Ų48.711%0.11323%0.233CC..THydrogen-bonded Turntrans66.433.7-179.800000114.5S668 L669 V729S668-G672 CarbonylContact O-C 3.59Å; S668-G672 WeakPolarHBondContact O-CA 3.5Å; S668-G672 PolarHBondContact O-N 3.21Å; L669-G672 PolarHBondContact O-N 2.84Å; L669-G672 VanDerWaalsContact O-N 3.15Å; G672-V729 VanDerWaalsContact C-CG2 3.46Å
673I83Confident88.1Confident42 Ų4248.5 Ų48.522%0.21523%0.232CC..  trans-90.1114.3-179.1-55.1172.2000110W656 S668 K671 K675 F676 V729W656-I673 HydrophobicContact CH2-CD1 4.23Å; W656-I673 HydrophobicContact CH2-CG2 4.41Å; W656-I673 HydrophobicContact CZ2-CD1 3.6Å; W656-I673 HydrophobicContact CZ2-CG2 4.23Å; S668-I673 PolarHBondContact O-N 3.29Å; K671-I673 HydrophobicContact CB-CD1 3.88Å; K671-I673 HydrophobicContact CB-CG1 3.89Å; I673-K675 HydrophobicContact CG2-CB 4.4Å; I673-F676 HydrophobicContact CG2-CD2 4.27Å; I673-V729 WeakPolarHBondContact O-CG1 3.19Å
674D81.4Confident88.2Confident62 Ų6243.5 Ų43.533%0.33221%0.209SC..  trans-91-24.4178.969.9-20.3000114.1F676 I677 V729 K732D674-F676 VanDerWaalsContact C-N 3.3Å; D674-F676 PolarHBondContact O-N 3.21Å; D674-F676 VanDerWaalsContact O-N 3.13Å; D674-I677 VanDerWaalsContact O-CG2 3.3Å; D674-I677 WeakPolarHBondContact O-CG2 3.47Å; D674-I677 PolarHBondContact O-N 3.05Å; D674-V729 HydrophobicContact CB-CG2 4.13Å; D674-K732 HydrophobicContact CB-CD 4.22Å; D674-K732 IonicContact OD2-NZ 2.7Å; D674-K732 PolarHBondContact OD2-NZ 3.08Å
675K82.9Confident88Confident156 Ų15645.4 Ų45.468%0.67822%0.216SC*.THydrogen-bonded Turntrans-53.6-36.2-171.2-174175.4177.7-179.10115.5I673I673-K675 HydrophobicContact CG2-CB 4.4Å
676F88.8Confident87.9Confident54 Ų5450.5 Ų50.524%0.23724%0.243CC..THydrogen-bonded Turntrans-113.20.5-173.4-56.3-69.1000113.7W656 I673 D674 L678 E679 D680W656-F676 HydrophobicContact CH2-CB 4.35Å; W656-F676 AromaticContact CH2-CD2 3.73Å; W656-F676 HydrophobicContact CH2-CD2 3.73Å; W656-F676 HydrophobicContact CH2-CG 4.42Å; W656-F676 AromaticContact CZ2-CD2 3.76Å; W656-F676 HydrophobicContact CZ2-CD2 3.76Å; W656-F676 HydrophobicContact CZ2-CE2 4.14Å; I673-F676 HydrophobicContact CG2-CD2 4.27Å; D674-F676 VanDerWaalsContact C-N 3.3Å; D674-F676 PolarHBondContact O-N 3.21Å; D674-F676 VanDerWaalsContact O-N 3.13Å; F676-L678 VanDerWaalsContact C-N 3.34Å; F676-L678 PolarHBondContact O-N 2.78Å; F676-E679 PolarHBondContact O-N 3.36Å; F676-D680 PolarHBondContact O-N 3.43Å
677I90.1Very high87.8Confident0 Ų052.6 Ų52.60%025%0.251CS..Hα-helixtrans-65.4-36.7-167.7-16565.3000112.8L665 D674 A681 V729 K732 A733L665-I677 HydrophobicContact CD2-CD1 3.77Å; D674-I677 VanDerWaalsContact O-CG2 3.3Å; D674-I677 WeakPolarHBondContact O-CG2 3.47Å; D674-I677 PolarHBondContact O-N 3.05Å; I677-A681 WeakPolarHBondContact O-CB 3.49Å; I677-A681 PolarHBondContact O-N 2.77Å; I677-V729 HydrophobicContact CB-CG1 3.96Å; I677-V729 HydrophobicContact CD1-CG1 3.61Å; I677-V729 HydrophobicContact CG1-CG1 3.59Å; I677-V729 HydrophobicContact CG2-CG1 4.46Å; I677-K732 HydrophobicContact CG2-CB 4.26Å; I677-A733 HydrophobicContact CD1-CB 4.27Å; I677-A733 HydrophobicContact CG1-CB 3.66Å
678L90.6Very high87.5Confident84 Ų8455.8 Ų55.844%0.4427%0.269SS..Hα-helixtrans-70.3-37.9178.5-61.7-179.2000111.6F676 E682 Y736F676-L678 VanDerWaalsContact C-N 3.34Å; F676-L678 PolarHBondContact O-N 2.78Å; L678-E682 WeakPolarHBondContact O-CB 3.29Å; L678-E682 PolarHBondContact O-N 2.96Å; L678-Y736 HydrophobicContact CD2-CD2 4.07Å; L678-Y736 HydrophobicContact CD2-CG 3.8Å
679E91.5Very high87Confident119 Ų11965.1 Ų65.156%0.55631%0.313SS*.Hα-helixtrans-66.5-47177.8-61.9174.2179.800110.8F676 E682 E683F676-E679 PolarHBondContact O-N 3.36Å; E679-E682 PolarHBondContact O-N 2.98Å; E679-E683 PolarHBondContact O-N 2.9Å
680D93.5Very high86.7Confident0 Ų069.1 Ų69.10%034%0.337CS..Hα-helixtrans-68.5-36177.6-67.8-33.8000112R657 V661 R664 L665 F676 E683 A684R657-D680 IonicContact CZ-OD1 3.51Å; R657-D680 IonicContact CZ-OD2 3.2Å; R657-D680 IonicContact NH1-OD1 2.63Å; R657-D680 PolarHBondContact NH1-OD1 3.5Å; R657-D680 IonicContact NH1-OD2 3.81Å; R657-D680 PolarHBondContact NH1-OD2 3.33Å; R657-D680 IonicContact NH2-OD1 3.74Å; R657-D680 PolarHBondContact NH2-OD1 3.22Å; R657-D680 IonicContact NH2-OD2 2.94Å; V661-D680 HydrophobicContact CG2-CB 4.23Å; V661-D680 WeakPolarHBondContact CG2-O 3.33Å; R664-D680 IonicContact CZ-OD1 3.93Å; R664-D680 IonicContact NE-OD1 2.66Å; R664-D680 PolarHBondContact NE-OD1 3.26Å; R664-D680 IonicContact NH2-OD1 3.49Å; R664-D680 PolarHBondContact NH2-OD1 3.19Å; L665-D680 HydrophobicContact CD2-CB 3.61Å; L665-D680 HydrophobicContact CG-CB 4.09Å; F676-D680 PolarHBondContact O-N 3.43Å; D680-E683 PolarHBondContact O-N 3.18Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 2.99Å
681A91Very high86.8Confident0 Ų068.7 Ų68.70%033%0.332CS..Hα-helixtrans-65.9-39.5175.200000111.8I677 R685 Y736 L737I677-A681 WeakPolarHBondContact O-CB 3.49Å; I677-A681 PolarHBondContact O-N 2.77Å; A681-R685 WeakPolarHBondContact O-CB 3.32Å; A681-R685 PolarHBondContact O-N 3.26Å; A681-Y736 HydrophobicContact CB-CD1 4.22Å; A681-L737 HydrophobicContact CB-CD2 4.38Å; A681-L737 HydrophobicContact CB-CG 4.4Å
682E92.3Very high86.6Confident46 Ų4666.4 Ų66.422%0.21533%0.332CS..Hα-helixtrans-67.2-42.2174.1-179.559.6-168.800111.9L678 E679 A684 R685 L686 Y736L678-E682 WeakPolarHBondContact O-CB 3.29Å; L678-E682 PolarHBondContact O-N 2.96Å; E679-E682 PolarHBondContact O-N 2.98Å; E682-A684 PolarHBondContact O-N 2.72Å; E682-R685 WeakPolarHBondContact O-CB 3.36Å; E682-R685 PolarHBondContact O-N 3.06Å; E682-R685 VanDerWaalsContact O-N 3.13Å; E682-R685 IonicContact OE1-CZ 3.06Å; E682-R685 IonicContact OE1-NE 3.17Å; E682-R685 PolarHBondContact OE1-NE 2.89Å; E682-R685 IonicContact OE1-NH2 2.89Å; E682-R685 PolarHBondContact OE1-NH2 2.99Å; E682-R685 IonicContact OE2-CZ 2.83Å; E682-R685 IonicContact OE2-NE 3.58Å; E682-R685 PolarHBondContact OE2-NE 3.13Å; E682-R685 IonicContact OE2-NH2 3.75Å; E682-L686 HydrophobicContact CG-CD1 4.33Å; E682-L686 WeakPolarHBondContact O-CG 3.48Å; E682-L686 PolarHBondContact O-N 3.26Å; E682-Y736 HydrophobicContact CB-CE1 3.97Å; E682-Y736 WeakPolarHBondContact OE2-CE1 3.49Å; E682-Y736 PolarHBondContact OE2-OH 3.47Å
683E91.6Very high86.7Confident76 Ų7671.8 Ų71.836%0.35535%0.352SS..Hα-helixtrans-59.3-46.1175.2-173.7-178.9136.200111.3V661 R664 E679 D680 R685 L686 M687V661-E683 HydrophobicContact CG2-CB 4.04Å; V661-E683 HydrophobicContact CG2-CG 4.18Å; R664-E683 IonicContact CZ-OE1 3.62Å; R664-E683 IonicContact CZ-OE2 3.6Å; R664-E683 IonicContact NH1-OE1 2.67Å; R664-E683 IonicContact NH2-OE1 3.03Å; R664-E683 PolarHBondContact NH2-OE1 2.92Å; R664-E683 IonicContact NH2-OE2 3.83Å; R664-E683 PolarHBondContact NH2-OE2 2.94Å; E679-E683 PolarHBondContact O-N 2.9Å; D680-E683 PolarHBondContact O-N 3.18Å; E683-R685 VanDerWaalsContact C-N 3.3Å; E683-R685 PolarHBondContact O-N 2.73Å; E683-L686 PolarHBondContact O-N 3.49Å; E683-M687 HydrophobicContact CG-CE 4.16Å; E683-M687 WeakPolarHBondContact O-CG 3.34Å; E683-M687 PolarHBondContact O-N 2.83Å
684A90.4Very high86.7Confident0 Ų070.3 Ų70.30%035%0.346CS..Hα-helixtrans-61.8-37.7174.600000112V661 L665 D680 E682 L686 M687 Y691 I697V661-A684 HydrophobicContact CG1-CB 4.27Å; V661-A684 HydrophobicContact CG2-CB 4.01Å; L665-A684 HydrophobicContact CD1-CB 4.03Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 2.99Å; E682-A684 PolarHBondContact O-N 2.72Å; A684-L686 VanDerWaalsContact C-N 3.3Å; A684-L686 PolarHBondContact O-N 3.1Å; A684-M687 WeakPolarHBondContact O-CB 3.27Å; A684-M687 PolarHBondContact O-N 3.14Å; A684-M687 VanDerWaalsContact O-N 3.16Å; A684-Y691 HydrophobicContact CB-CD2 4.36Å; A684-Y691 HydrophobicContact CB-CE2 4.42Å; A684-Y691 WeakPolarHBondContact O-CD2 3.5Å; A684-I697 HydrophobicContact CB-CD1 3.98Å; A684-I697 HydrophobicContact CB-CG1 4.2Å; A684-I697 HydrophobicContact CB-CG2 4Å
685R90.1Very high86.6Confident62 Ų6268.2 Ų68.223%0.23434%0.335CS..Hα-helixtrans-65.5-31.4176.5-162.6-161.865.970.72.2113A681 E682 E683 M687 I697 L737A681-R685 WeakPolarHBondContact O-CB 3.32Å; A681-R685 PolarHBondContact O-N 3.26Å; E682-R685 WeakPolarHBondContact O-CB 3.36Å; E682-R685 PolarHBondContact O-N 3.06Å; E682-R685 VanDerWaalsContact O-N 3.13Å; E682-R685 IonicContact OE1-CZ 3.06Å; E682-R685 IonicContact OE1-NE 3.17Å; E682-R685 PolarHBondContact OE1-NE 2.89Å; E682-R685 IonicContact OE1-NH2 2.89Å; E682-R685 PolarHBondContact OE1-NH2 2.99Å; E682-R685 IonicContact OE2-CZ 2.83Å; E682-R685 IonicContact OE2-NE 3.58Å; E682-R685 PolarHBondContact OE2-NE 3.13Å; E682-R685 IonicContact OE2-NH2 3.75Å; E683-R685 VanDerWaalsContact C-N 3.3Å; E683-R685 PolarHBondContact O-N 2.73Å; R685-M687 VanDerWaalsContact C-N 3.31Å; R685-I697 VanDerWaalsContact CA-CD1 3.43Å; R685-I697 HydrophobicContact CB-CD1 3.87Å; R685-I697 HydrophobicContact CG-CD1 4.37Å; R685-L737 HydrophobicContact CB-CD2 4.34Å; R685-L737 HydrophobicContact CG-CD2 4.43Å
686L89.2Confident86.5Confident107 Ų10763.5 Ų63.556%0.5632%0.317SS*.Hα-helixtrans-76.5-16.8175.5-67.7171.5000112.9E682 E683 A684 I688E682-L686 HydrophobicContact CG-CD1 4.33Å; E682-L686 WeakPolarHBondContact O-CG 3.48Å; E682-L686 PolarHBondContact O-N 3.26Å; E683-L686 PolarHBondContact O-N 3.49Å; A684-L686 VanDerWaalsContact C-N 3.3Å; A684-L686 PolarHBondContact O-N 3.1Å; L686-I688 PolarHBondContact O-N 3.35Å
687M88Confident86.4Confident69 Ų6961 Ų6134%0.3431%0.306SS..  trans-78.861.9174.8-63-172.6-175.400112.1V661 E683 A684 R685 E689 V690 Y691V661-M687 HydrophobicContact CB-CE 4.03Å; V661-M687 HydrophobicContact CG1-CE 3.49Å; V661-M687 VanDerWaalsContact CG1-CE 3.49Å; V661-M687 HydrophobicContact CG1-SD 3.65Å; E683-M687 HydrophobicContact CG-CE 4.16Å; E683-M687 WeakPolarHBondContact O-CG 3.34Å; E683-M687 PolarHBondContact O-N 2.83Å; A684-M687 WeakPolarHBondContact O-CB 3.27Å; A684-M687 PolarHBondContact O-N 3.14Å; A684-M687 VanDerWaalsContact O-N 3.16Å; R685-M687 VanDerWaalsContact C-N 3.31Å; M687-E689 PolarHBondContact O-N 3.34Å; M687-E689 VanDerWaalsContact O-N 3.1Å; M687-V690 HydrophobicContact CB-CB 4.31Å; M687-V690 HydrophobicContact CB-CG2 4.49Å; M687-V690 PolarHBondContact O-N 2.84Å; M687-Y691 HydrophobicContact CB-CD2 4.28Å; M687-Y691 PolarHBondContact O-N 2.94Å
688I81.9Confident86Confident118 Ų11861.3 Ų61.361%0.60531%0.308SS*.THydrogen-bonded Turntrans-57.6-29.9-173.8-60.8170000113L686 V690 Y691 P692L686-I688 PolarHBondContact O-N 3.35Å; I688-V690 VanDerWaalsContact C-N 3.33Å; I688-Y691 CarbonylContact O-C 3.01Å; I688-P692 WeakPolarHBondContact O-CA 3.23Å
689E78.7Confident85.4Confident196 Ų19661.2 Ų61.292%0.91631%0.305SS*.THydrogen-bonded Turntrans-67.2-32.6176.5-64.3-172.1173.100113M687M687-E689 PolarHBondContact O-N 3.34Å; M687-E689 VanDerWaalsContact O-N 3.1Å
690V80.8Confident85Confident83 Ų8356.8 Ų56.850%0.50329%0.291SS..THydrogen-bonded Turntrans-94.8-40-178.6-1750000110.8M687 I688 P692M687-V690 HydrophobicContact CB-CB 4.31Å; M687-V690 HydrophobicContact CB-CG2 4.49Å; M687-V690 PolarHBondContact O-N 2.84Å; I688-V690 VanDerWaalsContact C-N 3.33Å; V690-P692 WeakPolarHBondContact O-CD 3.33Å
691Y84.7Confident84.7Confident19 Ų1957 Ų578%0.07529%0.292CS..  trans-123.182-178.6-61.5-68.6000110.8E662 A684 M687 I688 K693 N696 I697 P701E662-Y691 HydrophobicContact CG-CE2 4.46Å; E662-Y691 WeakPolarHBondContact CG-OH 3.14Å; E662-Y691 PolarHBondContact OE1-OH 3.48Å; A684-Y691 HydrophobicContact CB-CD2 4.36Å; A684-Y691 HydrophobicContact CB-CE2 4.42Å; A684-Y691 WeakPolarHBondContact O-CD2 3.5Å; M687-Y691 HydrophobicContact CB-CD2 4.28Å; M687-Y691 PolarHBondContact O-N 2.94Å; I688-Y691 CarbonylContact O-C 3.01Å; Y691-K693 PolarHBondContact O-N 2.99Å; Y691-K693 VanDerWaalsContact O-N 3.14Å; Y691-N696 HydrophobicContact CD1-CB 3.77Å; Y691-I697 HydrophobicContact CD1-CG1 3.77Å; Y691-I697 HydrophobicContact CD2-CG1 4.11Å; Y691-I697 HydrophobicContact CE1-CG1 4.41Å; Y691-I697 HydrophobicContact CG-CD1 4.44Å; Y691-I697 HydrophobicContact CG-CG1 3.59Å; Y691-P701 HydrophobicContact CE1-CG 4.22Å; Y691-P701 WeakPolarHBondContact OH-CD 3Å; Y691-P701 WeakPolarHBondContact OH-CG 3.27Å
692P79.5Confident84.5Confident91 Ų9157 Ų5759%0.59129%0.292SS*.SBendtrans-59.8-26.7-179-25.934.8000114.1I688 V690I688-P692 WeakPolarHBondContact O-CA 3.23Å; V690-P692 WeakPolarHBondContact O-CD 3.33Å
693K81.3Confident84Confident124 Ų12455.9 Ų55.954%0.53929%0.288SS..SBendtrans-131.7148.9177.1-54.9-177177.4-171.50110.2Y691 L695 N696Y691-K693 PolarHBondContact O-N 2.99Å; Y691-K693 VanDerWaalsContact O-N 3.14Å; K693-L695 HydrophobicContact CB-CB 4.43Å; K693-L695 PolarHBondContact O-N 3.4Å; K693-L695 VanDerWaalsContact O-N 3.12Å; K693-N696 VanDerWaalsContact CB-OD1 3.31Å; K693-N696 WeakPolarHBondContact CB-OD1 3.38Å; K693-N696 PolarHBondContact N-OD1 2.88Å; K693-N696 VanDerWaalsContact O-CB 3.3Å; K693-N696 WeakPolarHBondContact O-CB 3.32Å; K693-N696 PolarHBondContact O-N 2.84Å; K693-N696 PolarHBondContact O-OD1 2.79Å
694A81.5Confident83.6Confident11 Ų1158.5 Ų58.59%0.09130%0.298CS..Hα-helixtrans-55.9-30.5173.500000112.5N696 I697 I698 L737 F740 L741A694-N696 PolarHBondContact O-N 2.92Å; A694-I697 WeakPolarHBondContact O-CB 3.37Å; A694-I697 PolarHBondContact O-N 3.24Å; A694-I697 VanDerWaalsContact O-N 3.1Å; A694-I698 PolarHBondContact O-N 3.37Å; A694-L737 HydrophobicContact CB-CB 4.43Å; A694-L737 HydrophobicContact CB-CD2 4.35Å; A694-F740 HydrophobicContact CB-CB 4.25Å; A694-L741 HydrophobicContact CB-CD2 4.05Å
695L79.5Confident83.4Confident18 Ų1858.5 Ų58.59%0.09430%0.298CS..Hα-helixtrans-56.9-36.2173.4-174.861.2000112.6K693 I697 I698 E699 L741 L752K693-L695 HydrophobicContact CB-CB 4.43Å; K693-L695 PolarHBondContact O-N 3.4Å; K693-L695 VanDerWaalsContact O-N 3.12Å; L695-I697 PolarHBondContact O-N 3.03Å; L695-I698 WeakPolarHBondContact O-CB 3.44Å; L695-I698 PolarHBondContact O-N 3.16Å; L695-I698 VanDerWaalsContact O-N 3.16Å; L695-E699 HydrophobicContact CD1-CG 4.1Å; L695-E699 HydrophobicContact CG-CG 4.16Å; L695-E699 PolarHBondContact O-N 2.83Å; L695-L741 HydrophobicContact CB-CD2 3.89Å; L695-L752 HydrophobicContact CD1-CD2 3.73Å; L695-L752 HydrophobicContact CD1-CG 3.77Å
696N81.5Confident83Confident57 Ų5755.5 Ų55.531%0.30529%0.287SS..Hα-helixtrans-65.7-25.8179.6-60.8107.9000112.5Y691 K693 A694 G700Y691-N696 HydrophobicContact CD1-CB 3.77Å; K693-N696 VanDerWaalsContact CB-OD1 3.31Å; K693-N696 WeakPolarHBondContact CB-OD1 3.38Å; K693-N696 PolarHBondContact N-OD1 2.88Å; K693-N696 VanDerWaalsContact O-CB 3.3Å; K693-N696 WeakPolarHBondContact O-CB 3.32Å; K693-N696 PolarHBondContact O-N 2.84Å; K693-N696 PolarHBondContact O-OD1 2.79Å; A694-N696 PolarHBondContact O-N 2.92Å; N696-G700 WeakPolarHBondContact O-CA 3.48Å; N696-G700 PolarHBondContact O-N 3.31Å
697I86.5Confident82.4Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-76.7-39176.4-55.5165.2000110L665 A684 R685 Y691 A694 L695 P701 L702 L737L665-I697 HydrophobicContact CD1-CG2 4.14Å; A684-I697 HydrophobicContact CB-CD1 3.98Å; A684-I697 HydrophobicContact CB-CG1 4.2Å; A684-I697 HydrophobicContact CB-CG2 4Å; R685-I697 VanDerWaalsContact CA-CD1 3.43Å; R685-I697 HydrophobicContact CB-CD1 3.87Å; R685-I697 HydrophobicContact CG-CD1 4.37Å; Y691-I697 HydrophobicContact CD1-CG1 3.77Å; Y691-I697 HydrophobicContact CD2-CG1 4.11Å; Y691-I697 HydrophobicContact CE1-CG1 4.41Å; Y691-I697 HydrophobicContact CG-CD1 4.44Å; Y691-I697 HydrophobicContact CG-CG1 3.59Å; A694-I697 WeakPolarHBondContact O-CB 3.37Å; A694-I697 PolarHBondContact O-N 3.24Å; A694-I697 VanDerWaalsContact O-N 3.1Å; L695-I697 PolarHBondContact O-N 3.03Å; I697-P701 HydrophobicContact CG2-CG 3.97Å; I697-P701 WeakPolarHBondContact O-CD 3.3Å; I697-P701 WeakPolarHBondContact O-CG 3.16Å; I697-L702 HydrophobicContact CG2-CD1 4.48Å; I697-L702 HydrophobicContact CG2-CG 4.46Å; I697-L702 PolarHBondContact O-N 3.25Å; I697-L737 HydrophobicContact CB-CD1 4.04Å; I697-L737 HydrophobicContact CD1-CD2 4.06Å; I697-L737 HydrophobicContact CG2-CD1 3.82Å
698I81.7Confident82.1Confident8 Ų852.5 Ų52.54%0.04128%0.279CS..Iπ-helixtrans-62.5-59.1174.1-59.5173.9000108.9A694 L695 G700 L702 M703 V734 L737A694-I698 PolarHBondContact O-N 3.37Å; L695-I698 WeakPolarHBondContact O-CB 3.44Å; L695-I698 PolarHBondContact O-N 3.16Å; L695-I698 VanDerWaalsContact O-N 3.16Å; I698-G700 VanDerWaalsContact C-N 3.26Å; I698-G700 PolarHBondContact O-N 3.43Å; I698-L702 HydrophobicContact CG1-CD1 4.36Å; I698-M703 WeakPolarHBondContact O-CB 2.9Å; I698-M703 WeakPolarHBondContact O-CG 3.43Å; I698-M703 PolarHBondContact O-N 3.48Å; I698-V734 HydrophobicContact CD1-CG1 4.35Å; I698-V734 HydrophobicContact CG1-CG2 4.5Å; I698-V734 HydrophobicContact CG2-CG2 4.35Å; I698-L737 HydrophobicContact CD1-CB 4.24Å; I698-L737 HydrophobicContact CG1-CB 4.37Å; I698-L737 HydrophobicContact CG1-CD1 3.87Å
699E77.2Confident81.9Confident81 Ų8146.9 Ų46.938%0.37925%0.25SC..Iπ-helixtrans-67-21.8-178-67.5178.3165.600114.2L695 S755L695-E699 HydrophobicContact CD1-CG 4.1Å; L695-E699 HydrophobicContact CG-CG 4.16Å; L695-E699 PolarHBondContact O-N 2.83Å; E699-S755 WeakPolarHBondContact OE1-CB 3.46Å
700G83.9Confident81.4Confident27 Ų2737.7 Ų37.728%0.27821%0.208SC..Iπ-helixtrans-95.3-104.1-179.500000112.6N696 I698 L702 M703 K704N696-G700 WeakPolarHBondContact O-CA 3.48Å; N696-G700 PolarHBondContact O-N 3.31Å; I698-G700 VanDerWaalsContact C-N 3.26Å; I698-G700 PolarHBondContact O-N 3.43Å; G700-L702 PolarHBondContact O-N 2.93Å; G700-M703 PolarHBondContact O-N 2.98Å; G700-K704 WeakPolarHBondContact O-CB 3.36Å; G700-K704 PolarHBondContact O-N 3.09Å
701P87.7Confident81Confident3 Ų338.7 Ų38.72%0.01921%0.211CC..Iπ-helixtrans-61.9-37.4-170.623.4-34.6000113.6E662 L665 V666 Y691 I697 K704 G705E662-P701 HydrophobicContact CB-CB 4.19Å; L665-P701 HydrophobicContact CB-CB 4.28Å; L665-P701 HydrophobicContact CD1-CB 3.97Å; L665-P701 HydrophobicContact CD1-CG 3.81Å; V666-P701 WeakPolarHBondContact CG2-O 3.41Å; Y691-P701 HydrophobicContact CE1-CG 4.22Å; Y691-P701 WeakPolarHBondContact OH-CD 3Å; Y691-P701 WeakPolarHBondContact OH-CG 3.27Å; I697-P701 HydrophobicContact CG2-CG 3.97Å; I697-P701 WeakPolarHBondContact O-CD 3.3Å; I697-P701 WeakPolarHBondContact O-CG 3.16Å; P701-K704 PolarHBondContact O-N 3.45Å; P701-G705 PolarHBondContact O-N 3.32Å
702L87.1Confident80.5Confident0 Ų040.1 Ų40.10%022%0.219CC..Iπ-helixtrans-68.1-47.6179.2-65.6178.5000111.4L665 L669 I697 I698 G700 K704 G705 M706 A733 V734 L737L665-L702 HydrophobicContact CB-CD2 4.42Å; L665-L702 HydrophobicContact CD2-CD2 4.11Å; L669-L702 HydrophobicContact CD1-CB 4.25Å; L669-L702 HydrophobicContact CD1-CD2 3.76Å; L669-L702 VanDerWaalsContact CD1-O 3.24Å; L669-L702 WeakPolarHBondContact CD1-O 3.33Å; L669-L702 HydrophobicContact CG-CD2 4.42Å; I697-L702 HydrophobicContact CG2-CD1 4.48Å; I697-L702 HydrophobicContact CG2-CG 4.46Å; I697-L702 PolarHBondContact O-N 3.25Å; I698-L702 HydrophobicContact CG1-CD1 4.36Å; G700-L702 PolarHBondContact O-N 2.93Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-K704 PolarHBondContact O-N 3.16Å; L702-G705 PolarHBondContact O-N 3.12Å; L702-M706 WeakPolarHBondContact O-CG 2.91Å; L702-M706 PolarHBondContact O-N 3.41Å; L702-M706 VanDerWaalsContact O-N 3.07Å; L702-A733 HydrophobicContact CD1-CB 3.82Å; L702-A733 HydrophobicContact CD2-CB 3.93Å; L702-V734 HydrophobicContact CD1-CG2 4.43Å; L702-L737 HydrophobicContact CD1-CD1 3.7Å
703M82.1Confident79.9Confident23 Ų2336.4 Ų36.411%0.11319%0.194CC..Hα-helixtrans-63.2-39.1175.3-79.7-39.4-52.700112.7I698 G700 G705 M706 S707 M730 N785I698-M703 WeakPolarHBondContact O-CB 2.9Å; I698-M703 WeakPolarHBondContact O-CG 3.43Å; I698-M703 PolarHBondContact O-N 3.48Å; G700-M703 PolarHBondContact O-N 2.98Å; M703-G705 VanDerWaalsContact C-N 3.31Å; M703-G705 PolarHBondContact O-N 3.14Å; M703-M706 PolarHBondContact O-N 3.12Å; M703-S707 PolarHBondContact O-N 3.13Å; M703-M730 HydrophobicContact SD-CE 3.56Å; M703-M730 VanDerWaalsContact SD-CE 3.56Å; M703-N785 HydrophobicContact CE-CB 3.25Å; M703-N785 VanDerWaalsContact CE-OD1 3.31Å; M703-N785 WeakPolarHBondContact CE-OD1 3.34Å
704K82.5Confident78.7Confident131 Ų13133.1 Ų33.157%0.5720%0.195SC*.Hα-helixtrans-58.2-44.2174.1-175.4179.3178.9-176.40111.2V666 G700 P701 L702 M706 S707 V708V666-K704 HydrophobicContact CG2-CB 4.34Å; V666-K704 HydrophobicContact CG2-CD 4.34Å; V666-K704 HydrophobicContact CG2-CG 4.29Å; G700-K704 WeakPolarHBondContact O-CB 3.36Å; G700-K704 PolarHBondContact O-N 3.09Å; P701-K704 PolarHBondContact O-N 3.45Å; L702-K704 VanDerWaalsContact C-N 3.34Å; L702-K704 PolarHBondContact O-N 3.16Å; K704-M706 VanDerWaalsContact C-N 3.35Å; K704-M706 PolarHBondContact O-N 2.61Å; K704-S707 PolarHBondContact O-N 2.79Å; K704-V708 WeakPolarHBondContact O-CG2 3.22Å; K704-V708 PolarHBondContact O-N 3.48Å
705G85.5Confident77.7Confident0 Ų035.7 Ų35.70%022%0.216CC..Hα-helixtrans-61.8-41.8176.300000112.8P701 L702 M703 V708 V709P701-G705 PolarHBondContact O-N 3.32Å; L702-G705 PolarHBondContact O-N 3.12Å; M703-G705 VanDerWaalsContact C-N 3.31Å; M703-G705 PolarHBondContact O-N 3.14Å; G705-V708 PolarHBondContact O-N 3.5Å; G705-V709 WeakPolarHBondContact O-CG2 3.46Å; G705-V709 PolarHBondContact O-N 2.85Å; G705-V709 VanDerWaalsContact O-N 3.11Å
706M82.7Confident76.8Confident0 Ų036.9 Ų36.90%023%0.233CC..Hα-helixtrans-73.1-33.5179.5-66.5-55.4-60.700113.8L669 L702 M703 K704 V708 V709 G710 M730 C783L669-M706 HydrophobicContact CB-SD 4.42Å; L669-M706 HydrophobicContact CD1-CG 4.31Å; L669-M706 HydrophobicContact CD1-SD 4.49Å; L669-M706 HydrophobicContact CD2-SD 3.91Å; L702-M706 WeakPolarHBondContact O-CG 2.91Å; L702-M706 PolarHBondContact O-N 3.41Å; L702-M706 VanDerWaalsContact O-N 3.07Å; M703-M706 PolarHBondContact O-N 3.12Å; K704-M706 VanDerWaalsContact C-N 3.35Å; K704-M706 PolarHBondContact O-N 2.61Å; M706-V708 VanDerWaalsContact C-N 3.29Å; M706-V708 PolarHBondContact O-N 2.9Å; M706-V709 HydrophobicContact CE-CG1 4.41Å; M706-V709 WeakPolarHBondContact O-CB 3.33Å; M706-V709 PolarHBondContact O-N 3.24Å; M706-V709 HydrophobicContact SD-CG2 4.45Å; M706-G710 PolarHBondContact O-N 3.01Å; M706-M730 HydrophobicContact CB-CE 4.48Å; M706-M730 HydrophobicContact CB-SD 4.49Å; M706-M730 HydrophobicContact CE-CB 4.49Å; M706-M730 HydrophobicContact CE-SD 4.05Å; M706-M730 HydrophobicContact CG-CB 4.28Å; M706-M730 HydrophobicContact CG-CE 3.82Å; M706-M730 HydrophobicContact CG-CG 3.88Å; M706-M730 HydrophobicContact CG-SD 3.49Å; M706-M730 WeakPolarHBondContact CG-SD 3.45Å; M706-M730 HydrophobicContact SD-CB 3.88Å; M706-M730 HydrophobicContact SD-CG 4.16Å; M706-M730 HydrophobicContact SD-SD 4.04Å; M706-C783 CarbonylContact C-O 3.56Å; M706-C783 WeakPolarHBondContact CB-O 3.39Å; M706-C783 VanDerWaalsContact CE-CA 3.44Å; M706-C783 HydrophobicContact CE-CB 3.44Å; M706-C783 VanDerWaalsContact CE-CB 3.44Å; M706-C783 WeakPolarHBondContact CE-SG 3.43Å
707S76.9Confident75.9Confident60 Ų6041.6 Ų41.642%0.4225%0.25SS..Hα-helixtrans-58.3-44.1169.9-168.50000110.9M703 K704 V709 G710 D711M703-S707 PolarHBondContact O-N 3.13Å; K704-S707 PolarHBondContact O-N 2.79Å; S707-V709 VanDerWaalsContact C-N 3.34Å; S707-V709 PolarHBondContact O-N 3.07Å; S707-G710 PolarHBondContact O-N 3.47Å; S707-D711 VanDerWaalsContact O-CG 3.24Å; S707-D711 PolarHBondContact O-N 2.88Å
708V80.7Confident75Confident52 Ų5242 Ų4232%0.31525%0.253SS..Hα-helixtrans-62.1-41.8175.91760000111.2V670 K704 G705 M706 G710 D711 L712V670-V708 HydrophobicContact CG2-CB 3.97Å; V670-V708 HydrophobicContact CG2-CG1 3.66Å; K704-V708 WeakPolarHBondContact O-CG2 3.22Å; K704-V708 PolarHBondContact O-N 3.48Å; G705-V708 PolarHBondContact O-N 3.5Å; M706-V708 VanDerWaalsContact C-N 3.29Å; M706-V708 PolarHBondContact O-N 2.9Å; V708-G710 VanDerWaalsContact C-N 3.34Å; V708-G710 PolarHBondContact O-N 3.14Å; V708-D711 PolarHBondContact O-N 3.14Å; V708-L712 HydrophobicContact CG1-CD1 3.89Å; V708-L712 HydrophobicContact CG1-CG 4.25Å; V708-L712 WeakPolarHBondContact O-CB 3.46Å; V708-L712 WeakPolarHBondContact O-CG 3.07Å; V708-L712 PolarHBondContact O-N 3.49Å
709V77.4Confident74.6Confident0 Ų043.4 Ų43.40%026%0.259CS..Hα-helixtrans-59.7-44.8174169.20000111.2V670 G705 M706 S707 L712 F713 M718 V723 C783V670-V709 HydrophobicContact CG2-CG2 4.28Å; G705-V709 WeakPolarHBondContact O-CG2 3.46Å; G705-V709 PolarHBondContact O-N 2.85Å; G705-V709 VanDerWaalsContact O-N 3.11Å; M706-V709 HydrophobicContact CE-CG1 4.41Å; M706-V709 WeakPolarHBondContact O-CB 3.33Å; M706-V709 PolarHBondContact O-N 3.24Å; M706-V709 HydrophobicContact SD-CG2 4.45Å; S707-V709 VanDerWaalsContact C-N 3.34Å; S707-V709 PolarHBondContact O-N 3.07Å; V709-L712 PolarHBondContact O-N 3.46Å; V709-F713 WeakPolarHBondContact O-CB 3.39Å; V709-F713 PolarHBondContact O-N 3.22Å; V709-M718 HydrophobicContact CB-SD 4.17Å; V709-M718 HydrophobicContact CG1-CE 4.13Å; V709-M718 HydrophobicContact CG1-SD 3.77Å; V709-M718 HydrophobicContact CG2-CE 4.12Å; V709-M718 HydrophobicContact CG2-SD 4.18Å; V709-V723 HydrophobicContact CG1-CB 4.48Å; V709-V723 HydrophobicContact CG1-CG1 4.19Å; V709-V723 HydrophobicContact CG1-CG2 4.27Å; V709-C783 HydrophobicContact CG1-CB 4.48Å
710G69Low74.5Confident4 Ų439.7 Ų39.74%0.04124%0.241CC..Hα-helixtrans-61.2-46.8176.500000112.9M706 S707 V708 F713 G714 N784M706-G710 PolarHBondContact O-N 3.01Å; S707-G710 PolarHBondContact O-N 3.47Å; V708-G710 VanDerWaalsContact C-N 3.34Å; V708-G710 PolarHBondContact O-N 3.14Å; G710-F713 PolarHBondContact O-N 2.95Å; G710-G714 PolarHBondContact O-N 3.37Å; G710-N784 WeakPolarHBondContact CA-OD1 3.46Å
711D72.7Confident74Confident103 Ų10338.4 Ų38.455%0.55123%0.228SC*.Hα-helixtrans-63.7-42.1177.7-67.9-27.4000111.6S707 V708 A715S707-D711 VanDerWaalsContact O-CG 3.24Å; S707-D711 PolarHBondContact O-N 2.88Å; V708-D711 PolarHBondContact O-N 3.14Å; D711-A715 WeakPolarHBondContact O-CB 3.24Å; D711-A715 PolarHBondContact O-N 3.3Å
712L74Confident73.6Confident49 Ų4941 Ų4126%0.25724%0.24SC..Hα-helixtrans-66.5-41177-69.1171.7000111.7V670 V708 V709 A715 G716 K717 M718V670-L712 HydrophobicContact CG1-CD1 4.05Å; V708-L712 HydrophobicContact CG1-CD1 3.89Å; V708-L712 HydrophobicContact CG1-CG 4.25Å; V708-L712 WeakPolarHBondContact O-CB 3.46Å; V708-L712 WeakPolarHBondContact O-CG 3.07Å; V708-L712 PolarHBondContact O-N 3.49Å; V709-L712 PolarHBondContact O-N 3.46Å; L712-A715 PolarHBondContact O-N 2.95Å; L712-G716 PolarHBondContact O-N 3.01Å; L712-K717 HydrophobicContact CB-CB 4.39Å; L712-K717 HydrophobicContact CD2-CB 3.91Å; L712-K717 HydrophobicContact CD2-CD 3.99Å; L712-K717 WeakPolarHBondContact O-CA 3.46Å; L712-K717 PolarHBondContact O-N 3.32Å; L712-M718 HydrophobicContact CB-CB 3.66Å; L712-M718 HydrophobicContact CB-SD 4.25Å; L712-M718 HydrophobicContact CD1-SD 4.38Å; L712-M718 PolarHBondContact O-N 2.86Å; L712-M718 VanDerWaalsContact O-N 3.13Å
713F66.1Low73.1Confident14 Ų1441 Ų416%0.06124%0.24CC..Hα-helixtrans-67.4-44.9176.1-176.5-121.5000111.9V709 G710 A715 G716 M718 L720 V723 V780 S872V709-F713 WeakPolarHBondContact O-CB 3.39Å; V709-F713 PolarHBondContact O-N 3.22Å; G710-F713 PolarHBondContact O-N 2.95Å; F713-A715 VanDerWaalsContact C-N 3.28Å; F713-A715 PolarHBondContact O-N 3.47Å; F713-G716 PolarHBondContact O-N 3.27Å; F713-M718 WeakPolarHBondContact CD2-O 3.18Å; F713-L720 HydrophobicContact CE2-CB 4.29Å; F713-V723 HydrophobicContact CB-CG2 3.72Å; F713-V723 HydrophobicContact CD1-CG2 4.41Å; F713-V723 HydrophobicContact CD2-CG2 3.56Å; F713-V723 HydrophobicContact CE2-CG2 4.27Å; F713-V723 HydrophobicContact CG-CG2 3.66Å; F713-V780 HydrophobicContact CD1-CG1 3.93Å; F713-V780 HydrophobicContact CD1-CG2 4.3Å; F713-V780 HydrophobicContact CE1-CB 4.27Å; F713-V780 HydrophobicContact CE1-CG1 3.59Å; F713-V780 HydrophobicContact CE1-CG2 3.58Å; F713-V780 HydrophobicContact CZ-CG2 4.05Å; F713-S872 VanDerWaalsContact CE1-CA 3.46Å
714G56.8Low72.8Confident54 Ų5439.9 Ų39.956%0.55723%0.234SC*.Hα-helixtrans-62.2-33.7176.200000113.1G710 G716G710-G714 PolarHBondContact O-N 3.37Å; G714-G716 VanDerWaalsContact C-N 3.27Å; G714-G716 PolarHBondContact O-N 2.88Å
715A60.5Low72.7Confident65 Ų6535.5 Ų35.554%0.53722%0.215SC..THydrogen-bonded Turntrans-80.1-2.1173.400000114.2D711 L712 F713 K717D711-A715 WeakPolarHBondContact O-CB 3.24Å; D711-A715 PolarHBondContact O-N 3.3Å; L712-A715 PolarHBondContact O-N 2.95Å; F713-A715 VanDerWaalsContact C-N 3.28Å; F713-A715 PolarHBondContact O-N 3.47Å; A715-K717 HydrophobicContact CB-CD 4.38Å; A715-K717 HydrophobicContact CB-CG 4.16Å; A715-K717 PolarHBondContact O-N 3.26Å
716G59.7Low72.6Confident43 Ų4335.5 Ų35.544%0.44322%0.215SC..THydrogen-bonded Turntrans70.412.7-175.300000115L712 F713 G714L712-G716 PolarHBondContact O-N 3.01Å; F713-G716 PolarHBondContact O-N 3.27Å; G714-G716 VanDerWaalsContact C-N 3.27Å; G714-G716 PolarHBondContact O-N 2.88Å
717K63.5Low72.3Confident156 Ų15635.9 Ų35.968%0.67822%0.219SC*.SBendtrans-87-12.7179.1-65.7-176.6178-178.60113.8L712 A715L712-K717 HydrophobicContact CB-CB 4.39Å; L712-K717 HydrophobicContact CD2-CB 3.91Å; L712-K717 HydrophobicContact CD2-CD 3.99Å; L712-K717 WeakPolarHBondContact O-CA 3.46Å; L712-K717 PolarHBondContact O-N 3.32Å; A715-K717 HydrophobicContact CB-CD 4.38Å; A715-K717 HydrophobicContact CB-CG 4.16Å; A715-K717 PolarHBondContact O-N 3.26Å
718M68.2Low72.4Confident9 Ų934.4 Ų34.44%0.04420%0.204CC..SBendtrans-128.6140.5176.4-171.2170.1-163.500107.6V670 V709 L712 F713 Q722 V723 S726V670-M718 WeakPolarHBondContact O-CE 3.07Å; V709-M718 HydrophobicContact CB-SD 4.17Å; V709-M718 HydrophobicContact CG1-CE 4.13Å; V709-M718 HydrophobicContact CG1-SD 3.77Å; V709-M718 HydrophobicContact CG2-CE 4.12Å; V709-M718 HydrophobicContact CG2-SD 4.18Å; L712-M718 HydrophobicContact CB-CB 3.66Å; L712-M718 HydrophobicContact CB-SD 4.25Å; L712-M718 HydrophobicContact CD1-SD 4.38Å; L712-M718 PolarHBondContact O-N 2.86Å; L712-M718 VanDerWaalsContact O-N 3.13Å; F713-M718 WeakPolarHBondContact CD2-O 3.18Å; M718-Q722 HydrophobicContact CE-CB 3.55Å; M718-Q722 HydrophobicContact CG-CB 3.67Å; M718-Q722 HydrophobicContact SD-CB 4.46Å; M718-V723 HydrophobicContact CG-CG2 4.07Å; M718-V723 HydrophobicContact SD-CG2 4.27Å; M718-S726 VanDerWaalsContact CE-OG 3.23Å; M718-S726 WeakPolarHBondContact CE-OG 3.3Å
719F73.2Confident72.5Confident38 Ų3832 Ų3217%0.16719%0.189CC..  trans-101.3158.3-177.1-58.1-71.3000111.1P721 Q722 V723 L968 D985 V986 E989F719-P721 VanDerWaalsContact C-N 3.32Å; F719-Q722 VanDerWaalsContact N-OE1 3.08Å; F719-Q722 WeakPolarHBondContact O-CB 3.26Å; F719-Q722 PolarHBondContact O-N 3.15Å; F719-V723 PolarHBondContact O-N 2.92Å; F719-V723 VanDerWaalsContact O-N 3.14Å; F719-L968 HydrophobicContact CB-CD2 3.89Å; F719-L968 HydrophobicContact CD1-CD2 4.36Å; F719-L968 HydrophobicContact CG-CD2 4.04Å; F719-D985 WeakPolarHBondContact CE2-O 3.45Å; F719-D985 HydrophobicContact CZ-CB 4.11Å; F719-V986 HydrophobicContact CD1-CG1 3.64Å; F719-V986 HydrophobicContact CD2-CG1 4.29Å; F719-V986 HydrophobicContact CE1-CG1 3.21Å; F719-V986 HydrophobicContact CE2-CG1 3.91Å; F719-V986 HydrophobicContact CG-CG1 4.17Å; F719-V986 HydrophobicContact CZ-CB 4.41Å; F719-V986 HydrophobicContact CZ-CG1 3.36Å; F719-E989 HydrophobicContact CB-CG 4.49Å; F719-E989 HydrophobicContact CD2-CB 4.42Å
720L74.9Confident72.8Confident3 Ų333.3 Ų33.32%0.01620%0.195CC..Hα-helixtrans-49.9-42.6-176.7177.361.1000114.4F713 Q722 V723 I724 I776 V780 Q967F713-L720 HydrophobicContact CE2-CB 4.29Å; L720-Q722 VanDerWaalsContact C-N 3.26Å; L720-Q722 PolarHBondContact O-N 2.89Å; L720-V723 PolarHBondContact O-N 2.71Å; L720-I724 HydrophobicContact CD1-CD1 3.74Å; L720-I724 HydrophobicContact CD1-CG1 3.94Å; L720-I724 HydrophobicContact CD2-CD1 4.46Å; L720-I724 HydrophobicContact CG-CD1 3.72Å; L720-I724 HydrophobicContact CG-CG1 4.39Å; L720-I724 WeakPolarHBondContact O-CD1 3.49Å; L720-I724 VanDerWaalsContact O-CG1 3.31Å; L720-I724 WeakPolarHBondContact O-CG1 3.44Å; L720-I724 PolarHBondContact O-N 2.97Å; L720-I776 HydrophobicContact CD1-CG2 3.64Å; L720-I776 HydrophobicContact CD2-CB 4.47Å; L720-I776 HydrophobicContact CD2-CD1 3.88Å; L720-I776 HydrophobicContact CD2-CG1 4.05Å; L720-I776 HydrophobicContact CD2-CG2 3.56Å; L720-I776 HydrophobicContact CG-CG2 4.25Å; L720-V780 HydrophobicContact CD1-CG2 4.05Å; L720-Q967 HydrophobicContact CD2-CG 4.41Å
721P73.6Confident73.4Confident0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-54-40.9174.3-25.832.8000114.1F719 K725 W966 L968 E989 V993 Y1104F719-P721 VanDerWaalsContact C-N 3.32Å; P721-K725 WeakPolarHBondContact O-CG 3.18Å; P721-K725 PolarHBondContact O-N 2.89Å; P721-K725 VanDerWaalsContact O-N 3.07Å; P721-W966 HydrophobicContact CB-CE3 4.12Å; P721-W966 HydrophobicContact CB-CZ3 4.29Å; P721-W966 HydrophobicContact CG-CB 4.31Å; P721-W966 HydrophobicContact CG-CD2 4.24Å; P721-W966 HydrophobicContact CG-CE3 3.65Å; P721-W966 HydrophobicContact CG-CZ3 4.32Å; P721-L968 HydrophobicContact CG-CD1 4.23Å; P721-L968 HydrophobicContact CG-CD2 4.41Å; P721-L968 HydrophobicContact CG-CG 4.41Å; P721-E989 HydrophobicContact CB-CG 4.12Å; P721-E989 WeakPolarHBondContact CB-OE1 3.35Å; P721-E989 HydrophobicContact CG-CG 4.14Å; P721-V993 HydrophobicContact CB-CG2 3.56Å; P721-V993 HydrophobicContact CG-CG2 3.49Å; P721-V993 VanDerWaalsContact CG-CG2 3.49Å; P721-Y1104 HydrophobicContact CB-CE2 4.21Å
722Q78.7Confident73.9Confident56 Ų5635.2 Ų35.226%0.26220%0.198SC..Hα-helixtrans-71.5-42.8-178.9-58.7175.7-42.400110.5M718 F719 L720 I724 K725 S726 E989M718-Q722 HydrophobicContact CE-CB 3.55Å; M718-Q722 HydrophobicContact CG-CB 3.67Å; M718-Q722 HydrophobicContact SD-CB 4.46Å; F719-Q722 VanDerWaalsContact N-OE1 3.08Å; F719-Q722 WeakPolarHBondContact O-CB 3.26Å; F719-Q722 PolarHBondContact O-N 3.15Å; L720-Q722 VanDerWaalsContact C-N 3.26Å; L720-Q722 PolarHBondContact O-N 2.89Å; Q722-I724 VanDerWaalsContact C-N 3.28Å; Q722-I724 PolarHBondContact O-N 3.32Å; Q722-K725 PolarHBondContact O-N 3.42Å; Q722-K725 VanDerWaalsContact O-N 3.17Å; Q722-S726 PolarHBondContact O-N 3.37Å; Q722-S726 PolarHBondContact O-OG 3.41Å; Q722-S726 VanDerWaalsContact O-OG 3.12Å; Q722-E989 VanDerWaalsContact CG-CD 3.43Å; Q722-E989 HydrophobicContact CG-CG 4.13Å; Q722-E989 VanDerWaalsContact CG-OE2 3.27Å; Q722-E989 WeakPolarHBondContact CG-OE2 3.48Å; Q722-E989 PolarHBondContact NE2-OE2 2.62Å
723V76.6Confident74.5Confident1 Ų132.9 Ų32.91%0.00619%0.186CC..Hα-helixtrans-58.3-42.7176.1179.60000110.9V709 F713 M718 F719 L720 S726 A727 V780 C783V709-V723 HydrophobicContact CG1-CB 4.48Å; V709-V723 HydrophobicContact CG1-CG1 4.19Å; V709-V723 HydrophobicContact CG1-CG2 4.27Å; F713-V723 HydrophobicContact CB-CG2 3.72Å; F713-V723 HydrophobicContact CD1-CG2 4.41Å; F713-V723 HydrophobicContact CD2-CG2 3.56Å; F713-V723 HydrophobicContact CE2-CG2 4.27Å; F713-V723 HydrophobicContact CG-CG2 3.66Å; M718-V723 HydrophobicContact CG-CG2 4.07Å; M718-V723 HydrophobicContact SD-CG2 4.27Å; F719-V723 PolarHBondContact O-N 2.92Å; F719-V723 VanDerWaalsContact O-N 3.14Å; L720-V723 PolarHBondContact O-N 2.71Å; V723-S726 PolarHBondContact O-N 3.13Å; V723-A727 PolarHBondContact O-N 2.57Å; V723-V780 HydrophobicContact CG1-CG2 4.35Å; V723-C783 HydrophobicContact CG1-CB 4.32Å; V723-C783 VanDerWaalsContact CG1-SG 3.55Å
724I76.5Confident75.3Confident0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-66.5-41.4178-62159.4000111L720 Q722 S726 A727 R728 V779 W966 D1103 Y1104 I1107L720-I724 HydrophobicContact CD1-CD1 3.74Å; L720-I724 HydrophobicContact CD1-CG1 3.94Å; L720-I724 HydrophobicContact CD2-CD1 4.46Å; L720-I724 HydrophobicContact CG-CD1 3.72Å; L720-I724 HydrophobicContact CG-CG1 4.39Å; L720-I724 WeakPolarHBondContact O-CD1 3.49Å; L720-I724 VanDerWaalsContact O-CG1 3.31Å; L720-I724 WeakPolarHBondContact O-CG1 3.44Å; L720-I724 PolarHBondContact O-N 2.97Å; Q722-I724 VanDerWaalsContact C-N 3.28Å; Q722-I724 PolarHBondContact O-N 3.32Å; I724-S726 PolarHBondContact O-N 3.3Å; I724-A727 PolarHBondContact O-N 3.2Å; I724-R728 PolarHBondContact O-N 3.48Å; I724-R728 VanDerWaalsContact O-N 3.15Å; I724-V779 HydrophobicContact CB-CG1 4.4Å; I724-V779 HydrophobicContact CG1-CG1 3.94Å; I724-W966 HydrophobicContact CD1-CE3 4.19Å; I724-W966 HydrophobicContact CD1-CH2 4.49Å; I724-W966 HydrophobicContact CD1-CZ3 3.57Å; I724-D1103 HydrophobicContact CG2-CB 3.86Å; I724-Y1104 HydrophobicContact CG2-CD2 4.47Å; I724-I1107 HydrophobicContact CD1-CD1 3.57Å; I724-I1107 HydrophobicContact CG1-CD1 4.32Å
725K79.7Confident76.5Confident39 Ų3936.7 Ų36.717%0.1719%0.192CC..Hα-helixtrans-61.2-42173.8-75.8177178.8172.60111.9P721 Q722 R728 V729 D996 Y1104P721-K725 WeakPolarHBondContact O-CG 3.18Å; P721-K725 PolarHBondContact O-N 2.89Å; P721-K725 VanDerWaalsContact O-N 3.07Å; Q722-K725 PolarHBondContact O-N 3.42Å; Q722-K725 VanDerWaalsContact O-N 3.17Å; K725-R728 WeakPolarHBondContact O-CB 3.23Å; K725-R728 PolarHBondContact O-N 2.85Å; K725-V729 WeakPolarHBondContact O-CG2 3.26Å; K725-V729 PolarHBondContact O-N 3.4Å; K725-D996 IonicContact NZ-OD2 2.71Å; K725-D996 PolarHBondContact NZ-OD2 3.35Å; K725-D996 VanDerWaalsContact NZ-OD2 3.17Å; K725-Y1104 HydrophobicContact CG-CD2 4.25Å; K725-Y1104 HydrophobicContact CG-CG 4.44Å
726S82.7Confident77.7Confident0 Ų036.2 Ų36.20%018%0.176CC..Hα-helixtrans-62.7-44.4175.5-62.90000112.8L669 M718 Q722 V723 I724 R728 V729 M730L669-S726 WeakPolarHBondContact O-CB 3.44Å; L669-S726 PolarHBondContact O-OG 3.11Å; M718-S726 VanDerWaalsContact CE-OG 3.23Å; M718-S726 WeakPolarHBondContact CE-OG 3.3Å; Q722-S726 PolarHBondContact O-N 3.37Å; Q722-S726 PolarHBondContact O-OG 3.41Å; Q722-S726 VanDerWaalsContact O-OG 3.12Å; V723-S726 PolarHBondContact O-N 3.13Å; I724-S726 PolarHBondContact O-N 3.3Å; S726-R728 VanDerWaalsContact C-N 3.28Å; S726-R728 PolarHBondContact O-N 2.93Å; S726-V729 PolarHBondContact O-N 3.25Å; S726-V729 VanDerWaalsContact O-N 3.14Å; S726-M730 PolarHBondContact O-N 3.04Å
727A77.5Confident78.9Confident8 Ų834.1 Ų34.17%0.06616%0.155CC..Hα-helixtrans-59.7-39.2177.900000112.2V723 I724 M730 K731 V779V723-A727 PolarHBondContact O-N 2.57Å; I724-A727 PolarHBondContact O-N 3.2Å; A727-M730 WeakPolarHBondContact O-CB 3.36Å; A727-M730 PolarHBondContact O-N 3.17Å; A727-K731 WeakPolarHBondContact O-CG 3.47Å; A727-K731 PolarHBondContact O-N 3.13Å; A727-V779 HydrophobicContact CB-CG1 3.63Å
728R78.2Confident79.7Confident29 Ų2929.6 Ų29.611%0.10914%0.14CC..Hα-helixtrans-61.1-45.2174-179.9-179.568.5-178.25112.3I724 K725 S726 M730 K731 K732 D1102I724-R728 PolarHBondContact O-N 3.48Å; I724-R728 VanDerWaalsContact O-N 3.15Å; K725-R728 WeakPolarHBondContact O-CB 3.23Å; K725-R728 PolarHBondContact O-N 2.85Å; S726-R728 VanDerWaalsContact C-N 3.28Å; S726-R728 PolarHBondContact O-N 2.93Å; R728-M730 VanDerWaalsContact C-N 3.3Å; R728-M730 PolarHBondContact O-N 3.09Å; R728-K731 PolarHBondContact O-N 3.18Å; R728-K732 PolarHBondContact O-N 2.94Å; R728-K732 VanDerWaalsContact O-N 3.08Å; R728-D1102 WeakPolarHBondContact CD-OD1 3.35Å; R728-D1102 IonicContact CZ-OD1 3.47Å; R728-D1102 IonicContact NH1-OD1 3.17Å; R728-D1102 PolarHBondContact NH1-OD1 2.84Å; R728-D1102 IonicContact NH1-OD2 3.67Å; R728-D1102 PolarHBondContact NH1-OD2 3.26Å
729V82.8Confident80.2Confident0 Ų035.1 Ų35.10%017%0.166CC..Hα-helixtrans-61.4-41.6176.6178.60000110.7L669 G672 I673 D674 I677 K725 S726 K732 A733L669-V729 HydrophobicContact CD2-CB 4.14Å; L669-V729 HydrophobicContact CD2-CG1 3.9Å; G672-V729 VanDerWaalsContact C-CG2 3.46Å; I673-V729 WeakPolarHBondContact O-CG1 3.19Å; D674-V729 HydrophobicContact CB-CG2 4.13Å; I677-V729 HydrophobicContact CB-CG1 3.96Å; I677-V729 HydrophobicContact CD1-CG1 3.61Å; I677-V729 HydrophobicContact CG1-CG1 3.59Å; I677-V729 HydrophobicContact CG2-CG1 4.46Å; K725-V729 WeakPolarHBondContact O-CG2 3.26Å; K725-V729 PolarHBondContact O-N 3.4Å; S726-V729 PolarHBondContact O-N 3.25Å; S726-V729 VanDerWaalsContact O-N 3.14Å; V729-K732 PolarHBondContact O-N 3.28Å; V729-A733 PolarHBondContact O-N 3.47Å; V729-A733 VanDerWaalsContact O-N 3.12Å
730M84.6Confident80.6Confident28 Ų2836.5 Ų36.514%0.13817%0.172CC..Hα-helixtrans-60.3-50.3175.3-169.2-162.2-169.400112L669 M703 M706 S726 A727 R728 K732 A733 V734L669-M730 HydrophobicContact CD2-CB 3.74Å; L669-M730 HydrophobicContact CD2-CG 4.39Å; M703-M730 HydrophobicContact SD-CE 3.56Å; M703-M730 VanDerWaalsContact SD-CE 3.56Å; M706-M730 HydrophobicContact CB-CE 4.48Å; M706-M730 HydrophobicContact CB-SD 4.49Å; M706-M730 HydrophobicContact CE-CB 4.49Å; M706-M730 HydrophobicContact CE-SD 4.05Å; M706-M730 HydrophobicContact CG-CB 4.28Å; M706-M730 HydrophobicContact CG-CE 3.82Å; M706-M730 HydrophobicContact CG-CG 3.88Å; M706-M730 HydrophobicContact CG-SD 3.49Å; M706-M730 WeakPolarHBondContact CG-SD 3.45Å; M706-M730 HydrophobicContact SD-CB 3.88Å; M706-M730 HydrophobicContact SD-CG 4.16Å; M706-M730 HydrophobicContact SD-SD 4.04Å; S726-M730 PolarHBondContact O-N 3.04Å; A727-M730 WeakPolarHBondContact O-CB 3.36Å; A727-M730 PolarHBondContact O-N 3.17Å; R728-M730 VanDerWaalsContact C-N 3.3Å; R728-M730 PolarHBondContact O-N 3.09Å; M730-K732 VanDerWaalsContact C-N 3.34Å; M730-K732 PolarHBondContact O-N 2.72Å; M730-A733 WeakPolarHBondContact O-CB 3.18Å; M730-A733 PolarHBondContact O-N 2.92Å; M730-A733 VanDerWaalsContact O-N 3.16Å; M730-V734 HydrophobicContact CG-CG2 4.33Å; M730-V734 WeakPolarHBondContact O-CG2 3.4Å; M730-V734 PolarHBondContact O-N 3.25Å
731K80.6Confident80.4Confident84 Ų8439 Ų3937%0.36519%0.185SC..Hα-helixtrans-57.3-45.9179.6-76.7-180177.2177.80111.6A727 R728 A733 V734 E735 L1101 D1103A727-K731 WeakPolarHBondContact O-CG 3.47Å; A727-K731 PolarHBondContact O-N 3.13Å; R728-K731 PolarHBondContact O-N 3.18Å; K731-A733 VanDerWaalsContact C-N 3.35Å; K731-A733 PolarHBondContact O-N 3.03Å; K731-V734 PolarHBondContact O-N 3.4Å; K731-E735 WeakPolarHBondContact O-CB 3.4Å; K731-E735 PolarHBondContact O-N 3.2Å; K731-L1101 HydrophobicContact CB-CD1 4.26Å; K731-L1101 HydrophobicContact CD-CB 4.47Å; K731-D1103 IonicContact NZ-OD1 3.95Å; K731-D1103 PolarHBondContact NZ-OD1 2.9Å; K731-D1103 IonicContact NZ-OD2 2.96Å; K731-D1103 PolarHBondContact NZ-OD2 2.94Å
732K84.2Confident79.4Confident64 Ų6444.3 Ų44.328%0.27822%0.222SC..Hα-helixtrans-58.6-42.9176-73.8-175179.4-173.90112.4D674 I677 R728 V729 M730 Y736D674-K732 HydrophobicContact CB-CD 4.22Å; D674-K732 IonicContact OD2-NZ 2.7Å; D674-K732 PolarHBondContact OD2-NZ 3.08Å; I677-K732 HydrophobicContact CG2-CB 4.26Å; R728-K732 PolarHBondContact O-N 2.94Å; R728-K732 VanDerWaalsContact O-N 3.08Å; V729-K732 PolarHBondContact O-N 3.28Å; M730-K732 VanDerWaalsContact C-N 3.34Å; M730-K732 PolarHBondContact O-N 2.72Å; K732-Y736 PolarHBondContact O-N 3.08Å
733A86.9Confident77.8Confident0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-66-45.6178.100000112.2I677 L702 V729 M730 K731 Y736 L737I677-A733 HydrophobicContact CD1-CB 4.27Å; I677-A733 HydrophobicContact CG1-CB 3.66Å; L702-A733 HydrophobicContact CD1-CB 3.82Å; L702-A733 HydrophobicContact CD2-CB 3.93Å; V729-A733 PolarHBondContact O-N 3.47Å; V729-A733 VanDerWaalsContact O-N 3.12Å; M730-A733 WeakPolarHBondContact O-CB 3.18Å; M730-A733 PolarHBondContact O-N 2.92Å; M730-A733 VanDerWaalsContact O-N 3.16Å; K731-A733 VanDerWaalsContact C-N 3.35Å; K731-A733 PolarHBondContact O-N 3.03Å; A733-Y736 PolarHBondContact O-N 3.17Å; A733-L737 WeakPolarHBondContact O-CG 3.34Å; A733-L737 PolarHBondContact O-N 3.17Å; A733-L737 VanDerWaalsContact O-N 3.09Å
734V82.6Confident76.3Confident37 Ų3749 Ų4922%0.22427%0.269CS..Hα-helixtrans-65.1-45.5-179.5171.90000110.8I698 L702 M730 K731 Y736 L737 V738I698-V734 HydrophobicContact CD1-CG1 4.35Å; I698-V734 HydrophobicContact CG1-CG2 4.5Å; I698-V734 HydrophobicContact CG2-CG2 4.35Å; L702-V734 HydrophobicContact CD1-CG2 4.43Å; M730-V734 HydrophobicContact CG-CG2 4.33Å; M730-V734 WeakPolarHBondContact O-CG2 3.4Å; M730-V734 PolarHBondContact O-N 3.25Å; K731-V734 PolarHBondContact O-N 3.4Å; V734-Y736 VanDerWaalsContact C-N 3.29Å; V734-Y736 PolarHBondContact O-N 3.45Å; V734-L737 PolarHBondContact O-N 3.45Å; V734-L737 VanDerWaalsContact O-N 3.14Å; V734-V738 HydrophobicContact CG1-CG2 3.86Å; V734-V738 WeakPolarHBondContact O-CB 3.34Å; V734-V738 WeakPolarHBondContact O-CG2 3.21Å; V734-V738 PolarHBondContact O-N 2.64Å
735E81.2Confident74.4Confident111 Ų11156.4 Ų56.452%0.51931%0.308SS..Hα-helixtrans-58-41.9178.7-173.5178.8-163.700112.1K731 L1101K731-E735 WeakPolarHBondContact O-CB 3.4Å; K731-E735 PolarHBondContact O-N 3.2Å; E735-L1101 WeakPolarHBondContact OE2-CD1 3.34Å
736Y85.7Confident72.3Confident54 Ų5459.4 Ų59.421%0.21233%0.334CS..Hα-helixtrans-62.4-47.2174.3-179.9-101.5000112.1L678 A681 E682 K732 A733 V734 Q739 F740L678-Y736 HydrophobicContact CD2-CD2 4.07Å; L678-Y736 HydrophobicContact CD2-CG 3.8Å; A681-Y736 HydrophobicContact CB-CD1 4.22Å; E682-Y736 HydrophobicContact CB-CE1 3.97Å; E682-Y736 WeakPolarHBondContact OE2-CE1 3.49Å; E682-Y736 PolarHBondContact OE2-OH 3.47Å; K732-Y736 PolarHBondContact O-N 3.08Å; A733-Y736 PolarHBondContact O-N 3.17Å; V734-Y736 VanDerWaalsContact C-N 3.29Å; V734-Y736 PolarHBondContact O-N 3.45Å; Y736-Q739 PolarHBondContact O-N 2.86Å; Y736-F740 HydrophobicContact CD1-CE2 4.21Å; Y736-F740 AromaticContact CE1-CE2 3.78Å; Y736-F740 HydrophobicContact CE1-CE2 3.78Å; Y736-F740 HydrophobicContact CE1-CZ 4.42Å; Y736-F740 HydrophobicContact CE2-CE2 4.2Å; Y736-F740 AromaticContact CZ-CE2 3.76Å; Y736-F740 VanDerWaalsContact O-CD2 3.27Å; Y736-F740 WeakPolarHBondContact O-CD2 3.49Å; Y736-F740 WeakPolarHBondContact O-CE2 3.48Å
737L85.1Confident70.2Confident0 Ų068.9 Ų68.90%038%0.376CS..Hα-helixtrans-70.2-32.3-178-69.8172.6000113.3A681 R685 A694 I697 I698 L702 A733 V734 Q739 F740 L741A681-L737 HydrophobicContact CB-CD2 4.38Å; A681-L737 HydrophobicContact CB-CG 4.4Å; R685-L737 HydrophobicContact CB-CD2 4.34Å; R685-L737 HydrophobicContact CG-CD2 4.43Å; A694-L737 HydrophobicContact CB-CB 4.43Å; A694-L737 HydrophobicContact CB-CD2 4.35Å; I697-L737 HydrophobicContact CB-CD1 4.04Å; I697-L737 HydrophobicContact CD1-CD2 4.06Å; I697-L737 HydrophobicContact CG2-CD1 3.82Å; I698-L737 HydrophobicContact CD1-CB 4.24Å; I698-L737 HydrophobicContact CG1-CB 4.37Å; I698-L737 HydrophobicContact CG1-CD1 3.87Å; L702-L737 HydrophobicContact CD1-CD1 3.7Å; A733-L737 WeakPolarHBondContact O-CG 3.34Å; A733-L737 PolarHBondContact O-N 3.17Å; A733-L737 VanDerWaalsContact O-N 3.09Å; V734-L737 PolarHBondContact O-N 3.45Å; V734-L737 VanDerWaalsContact O-N 3.14Å; L737-Q739 PolarHBondContact O-N 3.5Å; L737-F740 PolarHBondContact O-N 2.96Å; L737-L741 PolarHBondContact O-N 3.35Å
738V79.4Confident68.5Low60 Ų6074.8 Ų74.836%0.36441%0.406SS..Hα-helixtrans-59.7-32.7179.2164.90000111.7V734 F740 L741V734-V738 HydrophobicContact CG1-CG2 3.86Å; V734-V738 WeakPolarHBondContact O-CB 3.34Å; V734-V738 WeakPolarHBondContact O-CG2 3.21Å; V734-V738 PolarHBondContact O-N 2.64Å; V738-F740 PolarHBondContact O-N 2.8Å; V738-F740 VanDerWaalsContact O-N 3.13Å; V738-L741 HydrophobicContact CB-CD1 4.37Å; V738-L741 HydrophobicContact CG2-CD1 3.99Å; V738-L741 WeakPolarHBondContact O-CB 3.28Å; V738-L741 PolarHBondContact O-N 2.87Å; V738-L741 VanDerWaalsContact O-N 3.1Å
739Q80.1Confident66.8Low126 Ų12680.3 Ų80.359%0.58944%0.437SS*.Hα-helixtrans-58.6-27175.6-59.7177.710.600112.6Y736 L737Y736-Q739 PolarHBondContact O-N 2.86Å; L737-Q739 PolarHBondContact O-N 3.5Å
740F81Confident65.1Low67 Ų6784.6 Ų84.629%0.29446%0.46SS..Hα-helixtrans-93.7-12.8-179.6-58.1-84.8000113.9A694 Y736 L737 V738 S742 S743A694-F740 HydrophobicContact CB-CB 4.25Å; Y736-F740 HydrophobicContact CD1-CE2 4.21Å; Y736-F740 AromaticContact CE1-CE2 3.78Å; Y736-F740 HydrophobicContact CE1-CE2 3.78Å; Y736-F740 HydrophobicContact CE1-CZ 4.42Å; Y736-F740 HydrophobicContact CE2-CE2 4.2Å; Y736-F740 AromaticContact CZ-CE2 3.76Å; Y736-F740 VanDerWaalsContact O-CD2 3.27Å; Y736-F740 WeakPolarHBondContact O-CD2 3.49Å; Y736-F740 WeakPolarHBondContact O-CE2 3.48Å; L737-F740 PolarHBondContact O-N 2.96Å; V738-F740 PolarHBondContact O-N 2.8Å; V738-F740 VanDerWaalsContact O-N 3.13Å; F740-S742 PolarHBondContact O-N 3.5Å; F740-S743 PolarHBondContact O-N 2.81Å
741L70.7Confident63.4Low54 Ų5487.4 Ų87.428%0.28348%0.479SS..Hα-helixtrans-66-27.5175.9-66.8174.7000112.2A694 L695 L737 V738 S743 L752A694-L741 HydrophobicContact CB-CD2 4.05Å; L695-L741 HydrophobicContact CB-CD2 3.89Å; L737-L741 PolarHBondContact O-N 3.35Å; V738-L741 HydrophobicContact CB-CD1 4.37Å; V738-L741 HydrophobicContact CG2-CD1 3.99Å; V738-L741 WeakPolarHBondContact O-CB 3.28Å; V738-L741 PolarHBondContact O-N 2.87Å; V738-L741 VanDerWaalsContact O-N 3.1Å; L741-S743 PolarHBondContact O-N 3.48Å; L741-L752 HydrophobicContact CD1-CD1 3.52Å; L741-L752 HydrophobicContact CD1-CG 4.44Å
742S51.7Low62Low113 Ų11385.8 Ų85.879%0.7947%0.474SS*.THydrogen-bonded Turntrans-71.4-10.5-178.8-58.80000114.3F740F740-S742 PolarHBondContact O-N 3.5Å
743S46.6Very low60.4Low107 Ų10786.6 Ų86.675%0.74848%0.479SS*.THydrogen-bonded Turntrans-100.71.2-167.4-57.90000115.4F740 L741F740-S743 PolarHBondContact O-N 2.81Å; L741-S743 PolarHBondContact O-N 3.48Å
744G44.4Very low58.7Low48 Ų4895.3 Ų95.350%0.49552%0.517SS..SBendtrans-145.999.9-175.700000113.8
745D36.5Very low57.8Low155 Ų15594.8 Ų94.883%0.82952%0.515SS*.SBendtrans46.6119.4160.3-72.3-32000120.2
746S35.8Very low57.4Low102 Ų10293.9 Ų93.971%0.71351%0.507SS*.  trans93.398.1162.7-45.70000115.4N748S746-N748 PolarHBondContact O-N 3.43Å
747K39Very low57Low200 Ų20097 Ų9787%0.8752%0.519SS*.  trans-60.941.2158.9-67.9-177.1170.1-176.30113.6
748N40.9Very low57.1Low132 Ų13297.2 Ų97.271%0.70652%0.521SS*.  trans-103.981.3160.1-81.4-8.5000105.6S746 N750S746-N748 PolarHBondContact O-N 3.43Å; N748-N750 PolarHBondContact O-N 3.22Å
749D43.7Very low57.8Low144 Ų14495 Ų9577%0.7751%0.508SS*.THydrogen-bonded Turntrans-57.510.6-170.6-98.9-27.9000116.7
750N46.6Very low58.5Low90 Ų9089 Ų8948%0.48148%0.48SS..THydrogen-bonded Turntrans-104.614-172.2-64.348000113.7N748 E753 K754N748-N750 PolarHBondContact O-N 3.22Å; N750-E753 HydrophobicContact CB-CB 4.43Å; N750-E753 VanDerWaalsContact CG-OE2 3.23Å; N750-E753 PolarHBondContact ND2-OE2 2.96Å; N750-E753 PolarHBondContact O-N 3.25Å; N750-K754 PolarHBondContact O-N 3Å
751T48.7Very low59.3Low88 Ų8885.9 Ų85.954%0.5447%0.466SS..THydrogen-bonded Turntrans-69.9-39.2178.8400000113E753T751-E753 VanDerWaalsContact C-N 3.34Å
752L51.1Low60.5Low49 Ų4983.7 Ų83.726%0.25746%0.455SS..THydrogen-bonded Turntrans-69-31.4171.8-93.2156.3000112.3L695 L741 K754 S755 Y756L695-L752 HydrophobicContact CD1-CD2 3.73Å; L695-L752 HydrophobicContact CD1-CG 3.77Å; L741-L752 HydrophobicContact CD1-CD1 3.52Å; L741-L752 HydrophobicContact CD1-CG 4.44Å; L752-K754 VanDerWaalsContact C-N 3.27Å; L752-K754 PolarHBondContact O-N 3.12Å; L752-S755 PolarHBondContact O-N 3.47Å; L752-S755 PolarHBondContact O-OG 2.91Å; L752-Y756 WeakPolarHBondContact O-CD2 3.26Å
753E49.9Very low62.5Low82 Ų8278.4 Ų78.438%0.38342%0.417SS..G310 helixtrans-66.8-30-179.5-67.3-166.6143.700112.7N750 T751 S755 R787N750-E753 HydrophobicContact CB-CB 4.43Å; N750-E753 VanDerWaalsContact CG-OE2 3.23Å; N750-E753 PolarHBondContact ND2-OE2 2.96Å; N750-E753 PolarHBondContact O-N 3.25Å; T751-E753 VanDerWaalsContact C-N 3.34Å; E753-S755 VanDerWaalsContact C-N 3.28Å; E753-S755 PolarHBondContact O-N 3.25Å; E753-R787 IonicContact OE1-CZ 3.47Å; E753-R787 IonicContact OE1-NH1 3.6Å; E753-R787 PolarHBondContact OE1-NH1 3.04Å; E753-R787 IonicContact OE1-NH2 3.64Å
754K53.1Low64.6Low183 Ų18373.3 Ų73.380%0.79638%0.382SS*.G310 helixtrans-75.3-12.2178.8-72.9-176.8179.2-177.30114.3N750 L752N750-K754 PolarHBondContact O-N 3Å; L752-K754 VanDerWaalsContact C-N 3.27Å; L752-K754 PolarHBondContact O-N 3.12Å
755S62.6Low66.6Low25 Ų2571 Ų7118%0.17536%0.358CS..G310 helixtrans-85.9-19.7-177.372.30000113.5E699 L752 E753 N785E699-S755 WeakPolarHBondContact OE1-CB 3.46Å; L752-S755 PolarHBondContact O-N 3.47Å; L752-S755 PolarHBondContact O-OG 2.91Å; E753-S755 VanDerWaalsContact C-N 3.28Å; E753-S755 PolarHBondContact O-N 3.25Å; S755-N785 PolarHBondContact O-ND2 3.14Å
756Y73.3Confident68.7Low92 Ų9268.1 Ų68.136%0.36134%0.338SS..SBendtrans-76.1143.3-179.8-69-73.7000111.5L752 G758 R787L752-Y756 WeakPolarHBondContact O-CD2 3.26Å; Y756-G758 PolarHBondContact O-N 2.75Å; Y756-R787 HydrophobicContact CD1-CB 3.87Å; Y756-R787 HydrophobicContact CD2-CB 3.8Å; Y756-R787 HydrophobicContact CD2-CG 4.43Å; Y756-R787 HydrophobicContact CE1-CB 4.19Å; Y756-R787 HydrophobicContact CE2-CB 4.12Å; Y756-R787 HydrophobicContact CE2-CG 4.4Å; Y756-R787 HydrophobicContact CG-CB 3.65Å
757R77.4Confident70.4Confident120 Ų12063.7 Ų63.745%0.45331%0.309SS..SBendtrans-69-21.1175.1-69.8177.767.3-162-2.2113N784 N785 F786 S879R757-N784 WeakPolarHBondContact CD-O 3.4Å; R757-N785 HydrophobicContact CG-CB 4.12Å; R757-N785 PolarHBondContact N-O 3.5Å; R757-F786 HydrophobicContact CB-CD1 4.19Å; R757-F786 HydrophobicContact CB-CE1 3.84Å; R757-F786 HydrophobicContact CB-CZ 4.47Å; R757-S879 PolarHBondContact NH1-OG 2.9Å; R757-S879 VanDerWaalsContact NH2-CB 3.3Å; R757-S879 PolarHBondContact NH2-OG 2.87Å
758G87.5Confident72.5Confident4 Ų454.2 Ų54.24%0.04127%0.267CS..EExtended strand (participates in β ladder)trans173.7162.8176.900000111.7Y756 R787 D810Y756-G758 PolarHBondContact O-N 2.75Å; G758-R787 PolarHBondContact O-N 2.99Å; G758-D810 WeakPolarHBondContact CA-OD2 3.49Å
759T93.2Very high74.5Confident15 Ų1548.2 Ų48.29%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-106.6127179-58.80000110.6R787 I789 N807 A809 D810 I811T759-R787 CarbonylContact C-O 3.52Å; T759-R787 WeakPolarHBondContact CA-O 3.33Å; T759-R787 HydrophobicContact CG2-CB 4.37Å; T759-R787 HydrophobicContact CG2-CG 4.18Å; T759-I789 HydrophobicContact CG2-CD1 3.83Å; T759-I789 HydrophobicContact CG2-CG1 4.49Å; T759-N807 HydrophobicContact CG2-CB 4.38Å; T759-A809 HydrophobicContact CG2-CB 4.42Å; T759-D810 PolarHBondContact N-OD2 2.8Å; T759-D810 PolarHBondContact O-N 3.35Å; T759-I811 PolarHBondContact O-N 3.29Å
760I95.2Very high76.4Confident0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-123.9124.7-174.1-52.4-179000109.5L762 L781 F786 R787 I789 I811 C878I760-L762 HydrophobicContact CG2-CD2 3.98Å; I760-L762 HydrophobicContact CG2-CG 4.33Å; I760-L781 HydrophobicContact CD1-CD1 3.85Å; I760-L781 HydrophobicContact CD1-CD2 4.02Å; I760-L781 HydrophobicContact CD1-CG 4.4Å; I760-L781 HydrophobicContact CG2-CD1 4.34Å; I760-F786 HydrophobicContact CD1-CB 3.85Å; I760-F786 HydrophobicContact CD1-CD1 3.81Å; I760-F786 HydrophobicContact CD1-CD2 4.31Å; I760-F786 HydrophobicContact CD1-CG 3.71Å; I760-F786 HydrophobicContact CG1-CB 4.36Å; I760-F786 HydrophobicContact CG1-CD1 4.38Å; I760-R787 PolarHBondContact N-O 3.38Å; I760-I789 PolarHBondContact O-N 3.46Å; I760-I811 WeakPolarHBondContact CA-O 3.22Å; I760-I811 HydrophobicContact CG1-CB 4.21Å; I760-I811 HydrophobicContact CG2-CB 4.29Å; I760-I811 HydrophobicContact CG2-CG2 4.35Å; I760-C878 HydrophobicContact CD1-CB 4.14Å
761I97.4Very high78.4Confident0 Ų040.6 Ų40.60%019%0.193CC..EExtended strand (participates in β ladder)trans-88.3127.5170.1-55.2-52.7000108.8I789 L791 I800 A803 A804 A809 I811 I812 G813I761-I789 WeakPolarHBondContact CA-O 3.46Å; I761-I789 HydrophobicContact CD1-CB 3.7Å; I761-I789 HydrophobicContact CD1-CD1 3.81Å; I761-I789 HydrophobicContact CD1-CG1 4.28Å; I761-I789 HydrophobicContact CD1-CG2 3.99Å; I761-L791 HydrophobicContact CG2-CD1 3.59Å; I761-L791 HydrophobicContact CG2-CG 3.95Å; I761-I800 HydrophobicContact CG2-CG2 4.47Å; I761-A803 HydrophobicContact CD1-CB 4.41Å; I761-A804 HydrophobicContact CG1-CB 4.03Å; I761-A809 HydrophobicContact CD1-CB 4.05Å; I761-A809 HydrophobicContact CG1-CB 3.61Å; I761-I811 PolarHBondContact N-O 3.5Å; I761-I812 HydrophobicContact CB-CG1 4.48Å; I761-I812 CarbonylContact O-C 3.54Å; I761-G813 PolarHBondContact O-N 2.9Å
762L96.4Very high80.1Confident9 Ų938.4 Ų38.45%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-116136.9171.7-63.9-178000110.6I760 K774 V777 L781 V788 I789 L791 G813I760-L762 HydrophobicContact CG2-CD2 3.98Å; I760-L762 HydrophobicContact CG2-CG 4.33Å; L762-K774 HydrophobicContact CB-CD 4.3Å; L762-K774 HydrophobicContact CB-CG 4.13Å; L762-V777 HydrophobicContact CD1-CG1 4.07Å; L762-V777 HydrophobicContact CD2-CG1 4.46Å; L762-L781 HydrophobicContact CD1-CD1 4.4Å; L762-V788 HydrophobicContact CD1-CG1 3.6Å; L762-V788 HydrophobicContact CG-CG1 4.04Å; L762-I789 PolarHBondContact N-O 3.07Å; L762-L791 PolarHBondContact O-N 3.4Å; L762-G813 WeakPolarHBondContact CA-O 3.49Å
763A92.6Very high81.6Confident1 Ų138.1 Ų38.11%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-149.3139.2176.700000112.3L791 T795 I800 G813 L814 S815A763-L791 HydrophobicContact CB-CB 4.17Å; A763-L791 HydrophobicContact CB-CD1 4.35Å; A763-T795 HydrophobicContact CB-CG2 4.23Å; A763-I800 HydrophobicContact CB-CD1 3.92Å; A763-I800 HydrophobicContact CB-CG1 3.89Å; A763-G813 PolarHBondContact N-O 2.82Å; A763-L814 HydrophobicContact CB-CD2 4.49Å; A763-L814 WeakPolarHBondContact O-CA 3.44Å; A763-S815 PolarHBondContact O-N 3Å
764T91Very high83.5Confident0 Ų034.6 Ų34.60%017%0.17CC..EExtended strand (participates in β ladder)trans-83.4126.2159.9-61.90000107.4D768 H770 K774 G792 V793 T795 S815T764-D768 HydrophobicContact CG2-CB 3.69Å; T764-H770 WeakPolarHBondContact CG2-O 3.43Å; T764-H770 PolarHBondContact OG1-O 3.23Å; T764-H770 VanDerWaalsContact OG1-O 3.06Å; T764-K774 VanDerWaalsContact OG1-CE 3.28Å; T764-K774 WeakPolarHBondContact OG1-CE 3.32Å; T764-G792 PolarHBondContact N-O 3.43Å; T764-V793 HydrophobicContact CG2-CG1 4.46Å; T764-T795 PolarHBondContact O-N 3.19Å; T764-T795 PolarHBondContact O-OG1 3.45Å; T764-S815 WeakPolarHBondContact CA-O 3.38Å
765V87.4Confident84.9Confident1 Ų127.3 Ų27.31%0.00614%0.14CC..BIsolated β-bridgetrans-64.2163.8-170.8-62.60000112.7G767 D768 L814 S815 E824 M825V765-G767 PolarHBondContact O-N 3.46Å; V765-D768 PolarHBondContact O-N 3.24Å; V765-L814 HydrophobicContact CG1-CB 4.06Å; V765-L814 HydrophobicContact CG1-CD1 4.22Å; V765-L814 HydrophobicContact CG1-CD2 4.26Å; V765-L814 HydrophobicContact CG1-CG 4.42Å; V765-S815 PolarHBondContact N-O 3.24Å; V765-E824 HydrophobicContact CB-CB 3.99Å; V765-E824 HydrophobicContact CG2-CB 4.04Å; V765-M825 HydrophobicContact CG1-CE 4.49Å; V765-M825 HydrophobicContact CG1-CG 3.95Å
766K80.5Confident85.8Confident94 Ų9426.5 Ų26.541%0.40913%0.134SC..THydrogen-bonded Turntrans-51.4135.6-178.1-172.3-176.8173.9-171.70112.1D768 T795K766-D768 PolarHBondContact O-N 3.24Å; K766-T795 PolarHBondContact N-O 3.46Å
767G72.2Confident86.4Confident9 Ų923.6 Ų23.69%0.09313%0.125CC..THydrogen-bonded Turntrans86.3-21.2178.400000114.7V765 T1187 S1189V765-G767 PolarHBondContact O-N 3.46Å; G767-T1187 PolarHBondContact O-OG1 3.23Å; G767-S1189 WeakPolarHBondContact CA-OG 3.5Å; G767-S1189 PolarHBondContact O-OG 2.91Å
768D82.2Confident86.8Confident0 Ų018.5 Ų18.50%011%0.11CC..  trans-95.3144.6179.5-158.9-16.5000111.5T764 V765 K766 H770 M794 G816 L817 I818 S821T764-D768 HydrophobicContact CG2-CB 3.69Å; V765-D768 PolarHBondContact O-N 3.24Å; K766-D768 PolarHBondContact O-N 3.24Å; D768-H770 IonicContact OD1-CE1 3.17Å; D768-H770 IonicContact OD1-CG 2.78Å; D768-H770 PolarHBondContact OD1-N 2.97Å; D768-H770 IonicContact OD1-ND1 3.7Å; D768-H770 PolarHBondContact OD1-ND1 2.68Å; D768-M794 WeakPolarHBondContact O-CG 3.42Å; D768-M794 PolarHBondContact O-N 3.5Å; D768-G816 VanDerWaalsContact OD2-CA 3.3Å; D768-G816 WeakPolarHBondContact OD2-CA 3.19Å; D768-L817 PolarHBondContact OD2-N 3.04Å; D768-I818 HydrophobicContact CB-CD1 4.47Å; D768-I818 HydrophobicContact CB-CG1 4.39Å; D768-I818 PolarHBondContact OD2-N 2.97Å; D768-S821 WeakPolarHBondContact CB-OG 3.33Å; D768-S821 PolarHBondContact OD2-OG 2.93Å
769V82.8Confident86.3Confident7 Ų718.9 Ų18.94%0.04211%0.112CC..  trans-120.6-6.6-172.7-63.90000113M794 T1187 A1191 T1195V769-M794 HydrophobicContact CG1-CE 3.14Å; V769-M794 HydrophobicContact CG1-CG 4.01Å; V769-M794 HydrophobicContact CG1-SD 4.4Å; V769-T1187 HydrophobicContact CG1-CG2 3.96Å; V769-A1191 HydrophobicContact CG2-CB 3.81Å; V769-T1195 HydrophobicContact CB-CG2 4.07Å; V769-T1195 HydrophobicContact CG2-CG2 3.76Å
770H84.5Confident85.6Confident49 Ų4918.2 Ų18.223%0.22711%0.107CC..  trans-83122.1-176.1-54.388.4000109.9T764 D768 L817T764-H770 WeakPolarHBondContact CG2-O 3.43Å; T764-H770 PolarHBondContact OG1-O 3.23Å; T764-H770 VanDerWaalsContact OG1-O 3.06Å; D768-H770 IonicContact OD1-CE1 3.17Å; D768-H770 IonicContact OD1-CG 2.78Å; D768-H770 PolarHBondContact OD1-N 2.97Å; D768-H770 IonicContact OD1-ND1 3.7Å; D768-H770 PolarHBondContact OD1-ND1 2.68Å; H770-L817 HydrophobicContact CB-CB 3.75Å; H770-L817 HydrophobicContact CB-CD1 3.94Å; H770-L817 HydrophobicContact CB-CG 4.33Å
771D87.5Confident85.1Confident25 Ų2518.2 Ų18.213%0.13411%0.108CC..  trans-133-4.7-171.872-22.8000115.2G773 K774 N775 V793 K1110D771-G773 VanDerWaalsContact C-N 3.3Å; D771-G773 PolarHBondContact O-N 3.24Å; D771-K774 WeakPolarHBondContact O-CB 3.19Å; D771-K774 PolarHBondContact O-N 3.31Å; D771-N775 PolarHBondContact O-N 3.3Å; D771-N775 PolarHBondContact O-OD1 2.88Å; D771-N775 PolarHBondContact OD2-ND2 2.81Å; D771-V793 HydrophobicContact CB-CG1 3.58Å; D771-K1110 IonicContact OD1-NZ 2.78Å; D771-K1110 PolarHBondContact OD1-NZ 2.96Å; D771-K1110 IonicContact OD2-NZ 3.77Å; D771-K1110 PolarHBondContact OD2-NZ 2.86Å
772I83.7Confident84.1Confident42 Ų4219.5 Ų19.522%0.21512%0.121CC..Hα-helixtrans-52.2-50-178.2-61.6175.2000110.6K774 N775 I776 I965 I1107 K1110I772-K774 PolarHBondContact O-N 3.27Å; I772-N775 PolarHBondContact O-N 2.86Å; I772-I776 HydrophobicContact CG2-CD1 3.84Å; I772-I776 WeakPolarHBondContact O-CD1 3.35Å; I772-I776 VanDerWaalsContact O-CG1 3.27Å; I772-I776 WeakPolarHBondContact O-CG1 3.49Å; I772-I776 PolarHBondContact O-N 3.16Å; I772-I965 HydrophobicContact CG2-CG2 3.98Å; I772-I1107 HydrophobicContact CG2-CG2 4.38Å; I772-K1110 HydrophobicContact CD1-CB 3.88Å; I772-K1110 HydrophobicContact CG1-CB 4.09Å; I772-K1110 HydrophobicContact CG1-CD 4Å
773G84.1Confident82.9Confident43 Ų4319.1 Ų19.144%0.44312%0.119SC..Hα-helixtrans-63.1-40178.300000113.6D771 I776 V777D771-G773 VanDerWaalsContact C-N 3.3Å; D771-G773 PolarHBondContact O-N 3.24Å; G773-I776 PolarHBondContact O-N 3.35Å; G773-V777 VanDerWaalsContact O-CG2 3.32Å; G773-V777 WeakPolarHBondContact O-CG2 3.24Å; G773-V777 PolarHBondContact O-N 3.01Å
774K89.7Confident81.9Confident7 Ų719.8 Ų19.83%0.0312%0.122CC..Hα-helixtrans-63.1-45.7176.4177.3-177.958610111.2L762 T764 D771 I772 I776 V777 G778 D790 G792L762-K774 HydrophobicContact CB-CD 4.3Å; L762-K774 HydrophobicContact CB-CG 4.13Å; T764-K774 VanDerWaalsContact OG1-CE 3.28Å; T764-K774 WeakPolarHBondContact OG1-CE 3.32Å; D771-K774 WeakPolarHBondContact O-CB 3.19Å; D771-K774 PolarHBondContact O-N 3.31Å; I772-K774 PolarHBondContact O-N 3.27Å; K774-I776 VanDerWaalsContact C-N 3.32Å; K774-I776 PolarHBondContact O-N 2.68Å; K774-V777 WeakPolarHBondContact O-CB 3.43Å; K774-V777 PolarHBondContact O-N 3.1Å; K774-G778 PolarHBondContact O-N 2.86Å; K774-D790 WeakPolarHBondContact CE-OD1 3.42Å; K774-D790 IonicContact NZ-OD1 4Å; K774-D790 PolarHBondContact NZ-OD1 2.86Å; K774-D790 IonicContact NZ-OD2 3.06Å; K774-D790 PolarHBondContact NZ-OD2 3.46Å; K774-G792 WeakPolarHBondContact CE-O 3.46Å
775N82.6Confident81.1Confident30 Ų3021.1 Ų21.116%0.1613%0.129CC..Hα-helixtrans-66-40-178-60.8-1.9000110.3D771 I772 G778 V779 D790D771-N775 PolarHBondContact O-N 3.3Å; D771-N775 PolarHBondContact O-OD1 2.88Å; D771-N775 PolarHBondContact OD2-ND2 2.81Å; I772-N775 PolarHBondContact O-N 2.86Å; N775-G778 PolarHBondContact O-N 3.39Å; N775-V779 WeakPolarHBondContact O-CG2 3.45Å; N775-V779 PolarHBondContact O-N 3.19Å; N775-D790 PolarHBondContact OD1-OD2 3.22Å
776I81.3Confident80.9Confident9 Ų921.2 Ų21.25%0.04613%0.13CC..Hα-helixtrans-57.3-49171.5-72.8165.8000111.1L720 I772 G773 K774 G778 V779 V780 A871 I1107L720-I776 HydrophobicContact CD1-CG2 3.64Å; L720-I776 HydrophobicContact CD2-CB 4.47Å; L720-I776 HydrophobicContact CD2-CD1 3.88Å; L720-I776 HydrophobicContact CD2-CG1 4.05Å; L720-I776 HydrophobicContact CD2-CG2 3.56Å; L720-I776 HydrophobicContact CG-CG2 4.25Å; I772-I776 HydrophobicContact CG2-CD1 3.84Å; I772-I776 WeakPolarHBondContact O-CD1 3.35Å; I772-I776 VanDerWaalsContact O-CG1 3.27Å; I772-I776 WeakPolarHBondContact O-CG1 3.49Å; I772-I776 PolarHBondContact O-N 3.16Å; G773-I776 PolarHBondContact O-N 3.35Å; K774-I776 VanDerWaalsContact C-N 3.32Å; K774-I776 PolarHBondContact O-N 2.68Å; I776-G778 VanDerWaalsContact C-N 3.32Å; I776-G778 PolarHBondContact O-N 3.24Å; I776-V779 PolarHBondContact O-N 3.43Å; I776-V780 WeakPolarHBondContact O-CG2 3.36Å; I776-V780 PolarHBondContact O-N 3.19Å; I776-A871 HydrophobicContact CG2-CB 3.49Å; I776-A871 VanDerWaalsContact CG2-CB 3.49Å; I776-I1107 HydrophobicContact CG1-CD1 3.75Å; I776-I1107 HydrophobicContact CG1-CG1 4.49Å
777V86Confident81.2Confident30 Ų3019.3 Ų19.318%0.18212%0.12CC..Hα-helixtrans-60.1-42.6176.9170.30000111.2L762 G773 K774 V779 V780 L781 A871L762-V777 HydrophobicContact CD1-CG1 4.07Å; L762-V777 HydrophobicContact CD2-CG1 4.46Å; G773-V777 VanDerWaalsContact O-CG2 3.32Å; G773-V777 WeakPolarHBondContact O-CG2 3.24Å; G773-V777 PolarHBondContact O-N 3.01Å; K774-V777 WeakPolarHBondContact O-CB 3.43Å; K774-V777 PolarHBondContact O-N 3.1Å; V777-V779 PolarHBondContact O-N 3.04Å; V777-V780 PolarHBondContact O-N 3.3Å; V777-L781 HydrophobicContact CG1-CD1 3.63Å; V777-L781 HydrophobicContact CG1-CG 4.19Å; V777-L781 WeakPolarHBondContact O-CB 3.4Å; V777-L781 WeakPolarHBondContact O-CG 3.44Å; V777-L781 PolarHBondContact O-N 3.06Å; V777-A871 HydrophobicContact CG2-CB 3.72Å
778G84.4Confident81.9Confident13 Ų1320.9 Ų20.913%0.13413%0.128CC..Hα-helixtrans-60.8-42.7177.900000113K774 N775 I776 G782K774-G778 PolarHBondContact O-N 2.86Å; N775-G778 PolarHBondContact O-N 3.39Å; I776-G778 VanDerWaalsContact C-N 3.32Å; I776-G778 PolarHBondContact O-N 3.24Å; G778-G782 PolarHBondContact O-N 3.28Å
779V77.3Confident82.3Confident13 Ų1322.3 Ų22.38%0.07914%0.135CC..Hα-helixtrans-61.9-49.5174.5172.40000110.8I724 A727 N775 I776 V777 L781 G782 C783 D1103I724-V779 HydrophobicContact CB-CG1 4.4Å; I724-V779 HydrophobicContact CG1-CG1 3.94Å; A727-V779 HydrophobicContact CB-CG1 3.63Å; N775-V779 WeakPolarHBondContact O-CG2 3.45Å; N775-V779 PolarHBondContact O-N 3.19Å; I776-V779 PolarHBondContact O-N 3.43Å; V777-V779 PolarHBondContact O-N 3.04Å; V779-L781 PolarHBondContact O-N 3.24Å; V779-G782 PolarHBondContact O-N 3.16Å; V779-C783 PolarHBondContact O-N 3.16Å; V779-C783 PolarHBondContact O-SG 3.03Å; V779-D1103 HydrophobicContact CG2-CB 4.18Å
780V79.3Confident82.6Confident0 Ų025.3 Ų25.30%015%0.151CC..Hα-helixtrans-61.5-42.7-178.5167.30000112.6F713 L720 V723 I776 V777 C783 N784 A871 V875F713-V780 HydrophobicContact CD1-CG1 3.93Å; F713-V780 HydrophobicContact CD1-CG2 4.3Å; F713-V780 HydrophobicContact CE1-CB 4.27Å; F713-V780 HydrophobicContact CE1-CG1 3.59Å; F713-V780 HydrophobicContact CE1-CG2 3.58Å; F713-V780 HydrophobicContact CZ-CG2 4.05Å; L720-V780 HydrophobicContact CD1-CG2 4.05Å; V723-V780 HydrophobicContact CG1-CG2 4.35Å; I776-V780 WeakPolarHBondContact O-CG2 3.36Å; I776-V780 PolarHBondContact O-N 3.19Å; V777-V780 PolarHBondContact O-N 3.3Å; V780-C783 WeakPolarHBondContact O-CB 3.18Å; V780-C783 PolarHBondContact O-N 3.4Å; V780-N784 PolarHBondContact O-N 2.97Å; V780-N784 PolarHBondContact O-ND2 2.95Å; V780-A871 HydrophobicContact CG2-CB 4.32Å; V780-V875 HydrophobicContact CG1-CG2 3.42Å; V780-V875 VanDerWaalsContact CG1-CG2 3.42Å
781L84.7Confident82.7Confident1 Ų123.9 Ų23.91%0.00515%0.145CC..Hα-helixtrans-68.3-41177-72.4171.9000111.3I760 L762 V777 V779 C783 N784 F786 V788 C878I760-L781 HydrophobicContact CD1-CD1 3.85Å; I760-L781 HydrophobicContact CD1-CD2 4.02Å; I760-L781 HydrophobicContact CD1-CG 4.4Å; I760-L781 HydrophobicContact CG2-CD1 4.34Å; L762-L781 HydrophobicContact CD1-CD1 4.4Å; V777-L781 HydrophobicContact CG1-CD1 3.63Å; V777-L781 HydrophobicContact CG1-CG 4.19Å; V777-L781 WeakPolarHBondContact O-CB 3.4Å; V777-L781 WeakPolarHBondContact O-CG 3.44Å; V777-L781 PolarHBondContact O-N 3.06Å; V779-L781 PolarHBondContact O-N 3.24Å; L781-C783 VanDerWaalsContact C-N 3.25Å; L781-C783 PolarHBondContact O-N 3.12Å; L781-N784 PolarHBondContact O-N 2.88Å; L781-F786 HydrophobicContact CB-CB 4.21Å; L781-F786 HydrophobicContact CB-CD2 4.23Å; L781-F786 HydrophobicContact CD2-CD2 3.75Å; L781-F786 HydrophobicContact CD2-CE2 4.13Å; L781-F786 HydrophobicContact CD2-CG 4.47Å; L781-F786 WeakPolarHBondContact O-CB 3.44Å; L781-F786 WeakPolarHBondContact O-CD2 3.43Å; L781-F786 PolarHBondContact O-N 3.1Å; L781-V788 HydrophobicContact CB-CG2 3.65Å; L781-C878 HydrophobicContact CD2-CB 4.19Å
782G76.4Confident82.4Confident27 Ų2723.8 Ų23.828%0.27815%0.15SC..Hα-helixtrans-56.2-40.4172.700000112.3G778 V779 N784 N785G778-G782 PolarHBondContact O-N 3.28Å; V779-G782 PolarHBondContact O-N 3.16Å; G782-N784 PolarHBondContact O-N 3.42Å; G782-N785 PolarHBondContact O-N 3.25Å
783C70.3Confident82.5Confident1 Ų124.3 Ų24.31%0.00716%0.155CC..Hα-helixtrans-61.7-23.3174.9-630000114.1M706 V709 V723 V779 V780 L781M706-C783 CarbonylContact C-O 3.56Å; M706-C783 WeakPolarHBondContact CB-O 3.39Å; M706-C783 VanDerWaalsContact CE-CA 3.44Å; M706-C783 HydrophobicContact CE-CB 3.44Å; M706-C783 VanDerWaalsContact CE-CB 3.44Å; M706-C783 WeakPolarHBondContact CE-SG 3.43Å; V709-C783 HydrophobicContact CG1-CB 4.48Å; V723-C783 HydrophobicContact CG1-CB 4.32Å; V723-C783 VanDerWaalsContact CG1-SG 3.55Å; V779-C783 PolarHBondContact O-N 3.16Å; V779-C783 PolarHBondContact O-SG 3.03Å; V780-C783 WeakPolarHBondContact O-CB 3.18Å; V780-C783 PolarHBondContact O-N 3.4Å; L781-C783 VanDerWaalsContact C-N 3.25Å; L781-C783 PolarHBondContact O-N 3.12Å
784N71.5Confident82.2Confident15 Ų1526.3 Ų26.38%0.0815%0.153CC..THydrogen-bonded Turntrans-101.723.7-178.2-76.8-87.8000113.3G710 R757 V780 L781 G782 F786 V875G710-N784 WeakPolarHBondContact CA-OD1 3.46Å; R757-N784 WeakPolarHBondContact CD-O 3.4Å; V780-N784 PolarHBondContact O-N 2.97Å; V780-N784 PolarHBondContact O-ND2 2.95Å; L781-N784 PolarHBondContact O-N 2.88Å; G782-N784 PolarHBondContact O-N 3.42Å; N784-F786 VanDerWaalsContact C-N 3.35Å; N784-F786 HydrophobicContact CB-CD2 3.97Å; N784-F786 HydrophobicContact CB-CE2 3.96Å; N784-F786 PolarHBondContact O-N 3.37Å; N784-V875 HydrophobicContact CB-CG1 3.74Å; N784-V875 HydrophobicContact CB-CG2 4.21Å; N784-V875 WeakPolarHBondContact ND2-CG2 3.2Å; N784-V875 VanDerWaalsContact OD1-CG1 3.24Å; N784-V875 WeakPolarHBondContact OD1-CG1 3.28Å
785N74.8Confident81.9Confident27 Ų2726 Ų2614%0.14415%0.152CC..THydrogen-bonded Turntrans65.531.1178.9-156.620.9000114.6M703 S755 R757 G782M703-N785 HydrophobicContact CE-CB 3.25Å; M703-N785 VanDerWaalsContact CE-OD1 3.31Å; M703-N785 WeakPolarHBondContact CE-OD1 3.34Å; S755-N785 PolarHBondContact O-ND2 3.14Å; R757-N785 HydrophobicContact CG-CB 4.12Å; R757-N785 PolarHBondContact N-O 3.5Å; G782-N785 PolarHBondContact O-N 3.25Å
786F84Confident81.5Confident4 Ų427 Ų272%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-94.2139.6168.7-65.5-69.1000110.7R757 I760 L781 N784 V788 C878 L882R757-F786 HydrophobicContact CB-CD1 4.19Å; R757-F786 HydrophobicContact CB-CE1 3.84Å; R757-F786 HydrophobicContact CB-CZ 4.47Å; I760-F786 HydrophobicContact CD1-CB 3.85Å; I760-F786 HydrophobicContact CD1-CD1 3.81Å; I760-F786 HydrophobicContact CD1-CD2 4.31Å; I760-F786 HydrophobicContact CD1-CG 3.71Å; I760-F786 HydrophobicContact CG1-CB 4.36Å; I760-F786 HydrophobicContact CG1-CD1 4.38Å; L781-F786 HydrophobicContact CB-CB 4.21Å; L781-F786 HydrophobicContact CB-CD2 4.23Å; L781-F786 HydrophobicContact CD2-CD2 3.75Å; L781-F786 HydrophobicContact CD2-CE2 4.13Å; L781-F786 HydrophobicContact CD2-CG 4.47Å; L781-F786 WeakPolarHBondContact O-CB 3.44Å; L781-F786 WeakPolarHBondContact O-CD2 3.43Å; L781-F786 PolarHBondContact O-N 3.1Å; N784-F786 VanDerWaalsContact C-N 3.35Å; N784-F786 HydrophobicContact CB-CD2 3.97Å; N784-F786 HydrophobicContact CB-CE2 3.96Å; N784-F786 PolarHBondContact O-N 3.37Å; F786-V788 HydrophobicContact CB-CG2 4.49Å; F786-V788 PolarHBondContact O-N 3.23Å; F786-C878 HydrophobicContact CE1-CB 4.2Å; F786-C878 HydrophobicContact CE2-CB 3.97Å; F786-C878 HydrophobicContact CZ-CB 3.71Å; F786-L882 HydrophobicContact CD1-CD1 4.19Å; F786-L882 HydrophobicContact CE1-CD1 3.46Å; F786-L882 VanDerWaalsContact CE1-CD1 3.46Å; F786-L882 HydrophobicContact CZ-CD1 4.35Å
787R86Confident81.5Confident54 Ų5426.9 Ų26.920%0.20416%0.16CC..EExtended strand (participates in β ladder)trans-78.7106.8168.4177.3-179.6172.9179.21.8108.1E753 Y756 G758 T759 I760 I789 N807E753-R787 IonicContact OE1-CZ 3.47Å; E753-R787 IonicContact OE1-NH1 3.6Å; E753-R787 PolarHBondContact OE1-NH1 3.04Å; E753-R787 IonicContact OE1-NH2 3.64Å; Y756-R787 HydrophobicContact CD1-CB 3.87Å; Y756-R787 HydrophobicContact CD2-CB 3.8Å; Y756-R787 HydrophobicContact CD2-CG 4.43Å; Y756-R787 HydrophobicContact CE1-CB 4.19Å; Y756-R787 HydrophobicContact CE2-CB 4.12Å; Y756-R787 HydrophobicContact CE2-CG 4.4Å; Y756-R787 HydrophobicContact CG-CB 3.65Å; G758-R787 PolarHBondContact O-N 2.99Å; T759-R787 CarbonylContact C-O 3.52Å; T759-R787 WeakPolarHBondContact CA-O 3.33Å; T759-R787 HydrophobicContact CG2-CB 4.37Å; T759-R787 HydrophobicContact CG2-CG 4.18Å; I760-R787 PolarHBondContact N-O 3.38Å; R787-I789 HydrophobicContact CG-CG1 4.45Å; R787-N807 PolarHBondContact NH2-OD1 3.47Å
788V87.2Confident81.1Confident42 Ų4231.6 Ų31.626%0.25518%0.18SC..EExtended strand (participates in β ladder)trans-96.5125.7179.3-178.40000110L762 L781 F786L762-V788 HydrophobicContact CD1-CG1 3.6Å; L762-V788 HydrophobicContact CG-CG1 4.04Å; L781-V788 HydrophobicContact CB-CG2 3.65Å; F786-V788 HydrophobicContact CB-CG2 4.49Å; F786-V788 PolarHBondContact O-N 3.23Å
789I90.6Very high81Confident30 Ų3037.2 Ų37.215%0.15420%0.198CC..EExtended strand (participates in β ladder)trans-114.5102173.9-59173.1000107.6T759 I760 I761 L762 R787 L791 N807T759-I789 HydrophobicContact CG2-CD1 3.83Å; T759-I789 HydrophobicContact CG2-CG1 4.49Å; I760-I789 PolarHBondContact O-N 3.46Å; I761-I789 WeakPolarHBondContact CA-O 3.46Å; I761-I789 HydrophobicContact CD1-CB 3.7Å; I761-I789 HydrophobicContact CD1-CD1 3.81Å; I761-I789 HydrophobicContact CD1-CG1 4.28Å; I761-I789 HydrophobicContact CD1-CG2 3.99Å; L762-I789 PolarHBondContact N-O 3.07Å; R787-I789 HydrophobicContact CG-CG1 4.45Å; I789-L791 HydrophobicContact CG2-CD2 4.14Å; I789-N807 HydrophobicContact CD1-CB 3.29Å; I789-N807 VanDerWaalsContact CD1-OD1 3.3Å; I789-N807 WeakPolarHBondContact CD1-OD1 3.49Å
790D89.3Confident81.6Confident69 Ų6936.6 Ų36.637%0.36919%0.194SC..EExtended strand (participates in β ladder)trans-88.7119.3178.6-167.6-17.9000110.6K774 N775 G792K774-D790 WeakPolarHBondContact CE-OD1 3.42Å; K774-D790 IonicContact NZ-OD1 4Å; K774-D790 PolarHBondContact NZ-OD1 2.86Å; K774-D790 IonicContact NZ-OD2 3.06Å; K774-D790 PolarHBondContact NZ-OD2 3.46Å; N775-D790 PolarHBondContact OD1-OD2 3.22Å; D790-G792 VanDerWaalsContact C-N 3.33Å; D790-G792 WeakPolarHBondContact OD1-CA 3.32Å; D790-G792 PolarHBondContact OD1-N 3.49Å
791L86Confident82.1Confident19 Ų1937.1 Ų37.110%0.09920%0.197CC..  trans-86.6-6.6179.3-58.7-178000113.5I761 L762 A763 I789 T795 R799 I800 A803I761-L791 HydrophobicContact CG2-CD1 3.59Å; I761-L791 HydrophobicContact CG2-CG 3.95Å; L762-L791 PolarHBondContact O-N 3.4Å; A763-L791 HydrophobicContact CB-CB 4.17Å; A763-L791 HydrophobicContact CB-CD1 4.35Å; I789-L791 HydrophobicContact CG2-CD2 4.14Å; L791-T795 HydrophobicContact CB-CG2 3.78Å; L791-T795 HydrophobicContact CD1-CG2 3.93Å; L791-R799 PolarHBondContact O-NH1 3.21Å; L791-R799 PolarHBondContact O-NH2 3.33Å; L791-I800 HydrophobicContact CD1-CB 4.34Å; L791-I800 HydrophobicContact CD1-CG1 4.06Å; L791-A803 HydrophobicContact CD1-CB 3.86Å; L791-A803 HydrophobicContact CD2-CB 3.76Å; L791-A803 HydrophobicContact CG-CB 4.41Å
792G81.9Confident82.1Confident23 Ų2341.6 Ų41.624%0.23722%0.217CC..  trans85.5-149.3-17900000113.3T764 K774 D790 T795T764-G792 PolarHBondContact N-O 3.43Å; K774-G792 WeakPolarHBondContact CE-O 3.46Å; D790-G792 VanDerWaalsContact C-N 3.33Å; D790-G792 WeakPolarHBondContact OD1-CA 3.32Å; D790-G792 PolarHBondContact OD1-N 3.49Å; G792-T795 PolarHBondContact O-OG1 3.18Å
793V85.7Confident82.7Confident54 Ų5440.8 Ų40.833%0.32721%0.208SC..SBendtrans-104.3163.6-176.7-61.40000113T764 D771 T795T764-V793 HydrophobicContact CG2-CG1 4.46Å; D771-V793 HydrophobicContact CB-CG1 3.58Å; V793-T795 PolarHBondContact O-N 2.86Å
794M78.1Confident83.8Confident84 Ų8440.9 Ų40.941%0.41421%0.209SC..SBendtrans52.236.1-177.1-54-174.9-177.500113.8D768 V769 P796 T1187D768-M794 WeakPolarHBondContact O-CG 3.42Å; D768-M794 PolarHBondContact O-N 3.5Å; V769-M794 HydrophobicContact CG1-CE 3.14Å; V769-M794 HydrophobicContact CG1-CG 4.01Å; V769-M794 HydrophobicContact CG1-SD 4.4Å; M794-P796 VanDerWaalsContact O-CD 3.3Å; M794-P796 WeakPolarHBondContact O-CD 3.45Å; M794-T1187 HydrophobicContact CE-CG2 3.44Å; M794-T1187 VanDerWaalsContact CE-CG2 3.44Å
795T82.1Confident84.7Confident1 Ų145.4 Ų45.41%0.00623%0.228CC..BIsolated β-bridgetrans-79.5121.9-170.2-52.40000111.1A763 T764 K766 L791 G792 V793 R799 I800A763-T795 HydrophobicContact CB-CG2 4.23Å; T764-T795 PolarHBondContact O-N 3.19Å; T764-T795 PolarHBondContact O-OG1 3.45Å; K766-T795 PolarHBondContact N-O 3.46Å; L791-T795 HydrophobicContact CB-CG2 3.78Å; L791-T795 HydrophobicContact CD1-CG2 3.93Å; G792-T795 PolarHBondContact O-OG1 3.18Å; V793-T795 PolarHBondContact O-N 2.86Å; T795-R799 HydrophobicContact CG2-CB 4.12Å; T795-R799 HydrophobicContact CG2-CG 4.14Å; T795-I800 HydrophobicContact CG2-CD1 4.25Å; T795-I800 HydrophobicContact CG2-CG1 3.58Å
796P74Confident85.4Confident50 Ų5049.2 Ų49.233%0.32525%0.248SC..  trans-67149.9175.4-20.133.5000112.8M794 E798 R799 I800M794-P796 VanDerWaalsContact O-CD 3.3Å; M794-P796 WeakPolarHBondContact O-CD 3.45Å; P796-E798 VanDerWaalsContact C-N 3.28Å; P796-E798 PolarHBondContact O-N 3.11Å; P796-R799 PolarHBondContact O-N 2.92Å; P796-R799 VanDerWaalsContact O-N 3.1Å; P796-I800 PolarHBondContact O-N 2.86Å
797C82.6Confident85.6Confident7 Ų751.1 Ų51.15%0.04726%0.258CS..Hα-helixtrans-51.8-45.2179.4179.70000112.3R799 I800 L801 V828C797-R799 VanDerWaalsContact C-N 3.28Å; C797-R799 PolarHBondContact O-N 3.41Å; C797-I800 WeakPolarHBondContact O-CB 3.36Å; C797-I800 PolarHBondContact O-N 2.92Å; C797-I800 VanDerWaalsContact O-N 3.12Å; C797-L801 WeakPolarHBondContact O-CG 3.46Å; C797-L801 PolarHBondContact O-N 3.35Å; C797-L801 VanDerWaalsContact SG-CD1 3.55Å; C797-V828 HydrophobicContact CB-CG2 4.03Å
798E77.6Confident85.8Confident129 Ų12953.1 Ų53.160%0.60328%0.281SS*.Hα-helixtrans-60.8-38.7-177.9-59.578.4-173.400112P796 Q802P796-E798 VanDerWaalsContact C-N 3.28Å; P796-E798 PolarHBondContact O-N 3.11Å; E798-Q802 WeakPolarHBondContact O-CB 3.27Å; E798-Q802 PolarHBondContact O-N 3.49Å
799R81.7Confident86.1Confident132 Ų13251.4 Ų51.450%0.49827%0.271SS..Hα-helixtrans-69-38.8178.2-176.5175.1174.1-152-5.1111.4L791 T795 P796 C797 A803L791-R799 PolarHBondContact O-NH1 3.21Å; L791-R799 PolarHBondContact O-NH2 3.33Å; T795-R799 HydrophobicContact CG2-CB 4.12Å; T795-R799 HydrophobicContact CG2-CG 4.14Å; P796-R799 PolarHBondContact O-N 2.92Å; P796-R799 VanDerWaalsContact O-N 3.1Å; C797-R799 VanDerWaalsContact C-N 3.28Å; C797-R799 PolarHBondContact O-N 3.41Å; R799-A803 VanDerWaalsContact O-CB 3.26Å; R799-A803 WeakPolarHBondContact O-CB 3.16Å; R799-A803 PolarHBondContact O-N 3.44Å
800I90.1Very high86.3Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-61.5-51176.4-61168.8000109.9I761 A763 L791 T795 P796 C797 Q802 A803 A804 I812 L814 V828I761-I800 HydrophobicContact CG2-CG2 4.47Å; A763-I800 HydrophobicContact CB-CD1 3.92Å; A763-I800 HydrophobicContact CB-CG1 3.89Å; L791-I800 HydrophobicContact CD1-CB 4.34Å; L791-I800 HydrophobicContact CD1-CG1 4.06Å; T795-I800 HydrophobicContact CG2-CD1 4.25Å; T795-I800 HydrophobicContact CG2-CG1 3.58Å; P796-I800 PolarHBondContact O-N 2.86Å; C797-I800 WeakPolarHBondContact O-CB 3.36Å; C797-I800 PolarHBondContact O-N 2.92Å; C797-I800 VanDerWaalsContact O-N 3.12Å; I800-Q802 PolarHBondContact O-N 3.22Å; I800-A803 PolarHBondContact O-N 3.38Å; I800-A804 PolarHBondContact O-N 3.07Å; I800-I812 HydrophobicContact CG2-CG2 3.76Å; I800-L814 HydrophobicContact CD1-CD2 3.85Å; I800-L814 HydrophobicContact CG2-CD2 4.31Å; I800-V828 HydrophobicContact CD1-CG2 4.33Å
801L88.4Confident86.7Confident11 Ų1149.7 Ų49.76%0.05826%0.262CS..Hα-helixtrans-69.3-35.5-177-59.1177.5000112.2C797 K805 I812 V828 E831 M832 I835 F837C797-L801 WeakPolarHBondContact O-CG 3.46Å; C797-L801 PolarHBondContact O-N 3.35Å; C797-L801 VanDerWaalsContact SG-CD1 3.55Å; L801-K805 WeakPolarHBondContact O-CG 3.48Å; L801-K805 PolarHBondContact O-N 3.39Å; L801-I812 HydrophobicContact CD2-CD1 4.34Å; L801-V828 HydrophobicContact CD2-CG1 4.47Å; L801-E831 HydrophobicContact CD1-CB 3.77Å; L801-M832 HydrophobicContact CD2-CG 3.42Å; L801-M832 VanDerWaalsContact CD2-CG 3.42Å; L801-M832 HydrophobicContact CD2-SD 4.34Å; L801-I835 HydrophobicContact CB-CD1 4.22Å; L801-I835 HydrophobicContact CD1-CD1 3.69Å; L801-I835 HydrophobicContact CG-CD1 4.35Å; L801-F837 HydrophobicContact CD2-CE2 4.42Å
802Q85.7Confident87.2Confident94 Ų9448.8 Ų48.844%0.43926%0.257SS..Hα-helixtrans-67.6-46.2175-170.960.246.900111.3E798 I800 A804 K805 D806E798-Q802 WeakPolarHBondContact O-CB 3.27Å; E798-Q802 PolarHBondContact O-N 3.49Å; I800-Q802 PolarHBondContact O-N 3.22Å; Q802-A804 VanDerWaalsContact C-N 3.27Å; Q802-A804 PolarHBondContact O-N 3.41Å; Q802-K805 PolarHBondContact O-N 3.09Å; Q802-K805 VanDerWaalsContact O-N 3.08Å; Q802-D806 PolarHBondContact NE2-OD1 2.81Å; Q802-D806 PolarHBondContact NE2-OD2 2.93Å; Q802-D806 VanDerWaalsContact O-CG 3.25Å; Q802-D806 PolarHBondContact O-N 3.48Å
803A89.4Confident87.9Confident11 Ų1148 Ų489%0.09125%0.249CC..Hα-helixtrans-60.4-37.6177.200000112.5I761 L791 R799 I800 K805 D806 N807I761-A803 HydrophobicContact CD1-CB 4.41Å; L791-A803 HydrophobicContact CD1-CB 3.86Å; L791-A803 HydrophobicContact CD2-CB 3.76Å; L791-A803 HydrophobicContact CG-CB 4.41Å; R799-A803 VanDerWaalsContact O-CB 3.26Å; R799-A803 WeakPolarHBondContact O-CB 3.16Å; R799-A803 PolarHBondContact O-N 3.44Å; I800-A803 PolarHBondContact O-N 3.38Å; A803-K805 VanDerWaalsContact C-N 3.33Å; A803-K805 PolarHBondContact O-N 3.15Å; A803-D806 PolarHBondContact O-N 2.95Å; A803-N807 WeakPolarHBondContact O-CB 3.47Å; A803-N807 PolarHBondContact O-N 3.17Å; A803-N807 VanDerWaalsContact O-N 3.08Å; A803-N807 PolarHBondContact O-ND2 3.26Å
804A93.4Very high88.4Confident2 Ų245.7 Ų45.72%0.01724%0.235CC..Hα-helixtrans-62.9-37.6175.200000112.5I761 I800 Q802 S808 A809 I812 F837I761-A804 HydrophobicContact CG1-CB 4.03Å; I800-A804 PolarHBondContact O-N 3.07Å; Q802-A804 VanDerWaalsContact C-N 3.27Å; Q802-A804 PolarHBondContact O-N 3.41Å; A804-S808 PolarHBondContact O-N 2.64Å; A804-A809 HydrophobicContact CB-CB 4.09Å; A804-A809 PolarHBondContact O-N 3.16Å; A804-I812 HydrophobicContact CB-CD1 3.68Å; A804-I812 HydrophobicContact CB-CG1 4.07Å; A804-F837 HydrophobicContact CB-CE1 3.87Å; A804-F837 HydrophobicContact CB-CZ 4.16Å
805K89.3Confident89.1Confident110 Ų11042.5 Ų42.548%0.47822%0.221SC..Hα-helixtrans-71.1-49173.9-68.3178-173.8175.90111.8L801 Q802 A803 N807 S808 F837L801-K805 WeakPolarHBondContact O-CG 3.48Å; L801-K805 PolarHBondContact O-N 3.39Å; Q802-K805 PolarHBondContact O-N 3.09Å; Q802-K805 VanDerWaalsContact O-N 3.08Å; A803-K805 VanDerWaalsContact C-N 3.33Å; A803-K805 PolarHBondContact O-N 3.15Å; K805-N807 PolarHBondContact O-N 2.81Å; K805-S808 PolarHBondContact O-N 3.47Å; K805-F837 HydrophobicContact CD-CZ 4.49Å; K805-F837 HydrophobicContact CG-CE2 4.37Å; K805-F837 HydrophobicContact CG-CZ 3.81Å
806D89.4Confident89.3Confident108 Ų10842.5 Ų42.558%0.57822%0.222SC*.Hα-helixtrans-62.6-30.2-173.9-68.5-14.4000112.3Q802 A803Q802-D806 PolarHBondContact NE2-OD1 2.81Å; Q802-D806 PolarHBondContact NE2-OD2 2.93Å; Q802-D806 VanDerWaalsContact O-CG 3.25Å; Q802-D806 PolarHBondContact O-N 3.48Å; A803-D806 PolarHBondContact O-N 2.95Å
807N89.5Confident89.8Confident43 Ų4343.7 Ų43.723%0.2323%0.225CC..THydrogen-bonded Turntrans-106.810-178-63.8-88.4000113.7T759 R787 I789 A803 K805 A809T759-N807 HydrophobicContact CG2-CB 4.38Å; R787-N807 PolarHBondContact NH2-OD1 3.47Å; I789-N807 HydrophobicContact CD1-CB 3.29Å; I789-N807 VanDerWaalsContact CD1-OD1 3.3Å; I789-N807 WeakPolarHBondContact CD1-OD1 3.49Å; A803-N807 WeakPolarHBondContact O-CB 3.47Å; A803-N807 PolarHBondContact O-N 3.17Å; A803-N807 VanDerWaalsContact O-N 3.08Å; A803-N807 PolarHBondContact O-ND2 3.26Å; K805-N807 PolarHBondContact O-N 2.81Å; N807-A809 VanDerWaalsContact C-N 3.27Å; N807-A809 PolarHBondContact O-N 3.02Å
808S89.4Confident89.6Confident97 Ų9744.1 Ų44.168%0.67823%0.226SC*.THydrogen-bonded Turntrans46.751.9-176.3-56.90000112A804 K805A804-S808 PolarHBondContact O-N 2.64Å; K805-S808 PolarHBondContact O-N 3.47Å
809A93.8Very high89.5Confident6 Ų639.1 Ų39.15%0.0520%0.204CC..  trans-65.1145.6-175.300000111.8T759 I761 A804 N807 L839T759-A809 HydrophobicContact CG2-CB 4.42Å; I761-A809 HydrophobicContact CD1-CB 4.05Å; I761-A809 HydrophobicContact CG1-CB 3.61Å; A804-A809 HydrophobicContact CB-CB 4.09Å; A804-A809 PolarHBondContact O-N 3.16Å; N807-A809 VanDerWaalsContact C-N 3.27Å; N807-A809 PolarHBondContact O-N 3.02Å; A809-L839 HydrophobicContact CB-CD1 4.35Å; A809-L839 WeakPolarHBondContact O-CD1 3.43Å; A809-L839 VanDerWaalsContact O-CD2 3.23Å; A809-L839 WeakPolarHBondContact O-CD2 3.48Å
810D94.8Very high89.1Confident62 Ų6233 Ų3333%0.33218%0.182SC..SBendtrans-92.9-31173.8-57.7-71.2000111.6G758 T759 P840 L882G758-D810 WeakPolarHBondContact CA-OD2 3.49Å; T759-D810 PolarHBondContact N-OD2 2.8Å; T759-D810 PolarHBondContact O-N 3.35Å; D810-P840 VanDerWaalsContact O-CD 3.28Å; D810-P840 WeakPolarHBondContact O-CD 3.25Å; D810-L882 HydrophobicContact CB-CD2 3.7Å
811I96.9Very high88.8Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-140.5144-177.1-57.5175.8000110.3T759 I760 I761 P840 L842 C878 L881 L882T759-I811 PolarHBondContact O-N 3.29Å; I760-I811 WeakPolarHBondContact CA-O 3.22Å; I760-I811 HydrophobicContact CG1-CB 4.21Å; I760-I811 HydrophobicContact CG2-CB 4.29Å; I760-I811 HydrophobicContact CG2-CG2 4.35Å; I761-I811 PolarHBondContact N-O 3.5Å; I811-P840 HydrophobicContact CG1-CB 4.42Å; I811-P840 HydrophobicContact CG1-CG 4.42Å; I811-P840 HydrophobicContact CG2-CB 4.47Å; I811-L842 HydrophobicContact CG2-CD1 3.67Å; I811-L842 HydrophobicContact CG2-CD2 4.4Å; I811-L842 HydrophobicContact CG2-CG 3.62Å; I811-C878 HydrophobicContact CD1-CB 3.93Å; I811-L881 HydrophobicContact CD1-CB 4.22Å; I811-L881 HydrophobicContact CD1-CD1 4.02Å; I811-L882 HydrophobicContact CD1-CD1 4.14Å; I811-L882 HydrophobicContact CD1-CG 4.26Å
812I97.9Very high88.6Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-113.1129.7169.8-59.6178.2000108.9I761 I800 L801 A804 L814 M832 F837 L839 P840 L841 L842I761-I812 HydrophobicContact CB-CG1 4.48Å; I761-I812 CarbonylContact O-C 3.54Å; I800-I812 HydrophobicContact CG2-CG2 3.76Å; L801-I812 HydrophobicContact CD2-CD1 4.34Å; A804-I812 HydrophobicContact CB-CD1 3.68Å; A804-I812 HydrophobicContact CB-CG1 4.07Å; I812-L814 HydrophobicContact CG2-CD2 4.13Å; I812-M832 HydrophobicContact CD1-CE 3.9Å; I812-M832 HydrophobicContact CD1-SD 4.18Å; I812-F837 HydrophobicContact CD1-CD1 4.42Å; I812-F837 HydrophobicContact CD1-CE1 4.25Å; I812-L839 HydrophobicContact CD1-CD1 4.47Å; I812-L839 HydrophobicContact CG1-CD1 4.42Å; I812-P840 PolarHBondContact N-O 3.42Å; I812-L841 HydrophobicContact CB-CD1 4.23Å; I812-L841 HydrophobicContact CG2-CD1 4Å; I812-L841 CarbonylContact O-C 3.59Å; I812-L841 WeakPolarHBondContact O-CA 3.36Å; I812-L842 PolarHBondContact O-N 2.95Å
813G96.8Very high88.3Confident6 Ų632.3 Ų32.36%0.06218%0.179CC..EExtended strand (participates in β ladder)trans-119.1129.7175.100000112.6I761 L762 A763 L842I761-G813 PolarHBondContact O-N 2.9Å; L762-G813 WeakPolarHBondContact CA-O 3.49Å; A763-G813 PolarHBondContact N-O 2.82Å; G813-L842 CarbonylContact C-O 3.36Å; G813-L842 WeakPolarHBondContact CA-O 3.25Å
814L96.3Very high88Confident6 Ų634 Ų343%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-113.5138.4-179.3-56.8-177000111.4A763 V765 I800 I812 M825 V828 L841 L842 I843 G844A763-L814 HydrophobicContact CB-CD2 4.49Å; A763-L814 WeakPolarHBondContact O-CA 3.44Å; V765-L814 HydrophobicContact CG1-CB 4.06Å; V765-L814 HydrophobicContact CG1-CD1 4.22Å; V765-L814 HydrophobicContact CG1-CD2 4.26Å; V765-L814 HydrophobicContact CG1-CG 4.42Å; I800-L814 HydrophobicContact CD1-CD2 3.85Å; I800-L814 HydrophobicContact CG2-CD2 4.31Å; I812-L814 HydrophobicContact CG2-CD2 4.13Å; L814-M825 HydrophobicContact CB-CE 4.43Å; L814-M825 HydrophobicContact CB-CG 4.19Å; L814-M825 HydrophobicContact CD1-CB 4.25Å; L814-M825 HydrophobicContact CD1-CG 4.03Å; L814-V828 HydrophobicContact CD1-CB 3.89Å; L814-V828 HydrophobicContact CD1-CG1 3.89Å; L814-V828 HydrophobicContact CD1-CG2 4.12Å; L814-L841 HydrophobicContact CD1-CD1 3.81Å; L814-L841 HydrophobicContact CG-CD1 3.83Å; L814-L842 PolarHBondContact N-O 2.79Å; L814-I843 HydrophobicContact CB-CD1 4.26Å; L814-I843 HydrophobicContact CD1-CD1 4.19Å; L814-G844 PolarHBondContact O-N 3.16Å
815S92.7Very high87.9Confident18 Ų1834 Ų3413%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-118.2143.4176.4-164.10000112.2A763 T764 V765 M825 G844A763-S815 PolarHBondContact O-N 3Å; T764-S815 WeakPolarHBondContact CA-O 3.38Å; V765-S815 PolarHBondContact N-O 3.24Å; S815-M825 VanDerWaalsContact C-CE 3.43Å; S815-G844 WeakPolarHBondContact CA-O 3.43Å
816G86.3Confident87.9Confident1 Ų129.9 Ų29.91%0.0117%0.169CC..  trans-159.1142.2172.700000113.4D768 M825 G844 G845 A846 T847D768-G816 VanDerWaalsContact OD2-CA 3.3Å; D768-G816 WeakPolarHBondContact OD2-CA 3.19Å; G816-M825 VanDerWaalsContact N-CE 3.31Å; G816-G844 PolarHBondContact N-O 2.88Å; G816-G844 VanDerWaalsContact N-O 3.16Å; G816-G845 CarbonylContact O-C 2.96Å; G816-G845 VanDerWaalsContact O-CA 3.22Å; G816-G845 WeakPolarHBondContact O-CA 3.24Å; G816-A846 PolarHBondContact O-N 2.64Å; G816-T847 PolarHBondContact O-OG1 3.34Å
817L83.8Confident87.6Confident75 Ų7527.9 Ų27.939%0.39316%0.156SC..  trans-113.6-19.2-179.6-171.9141.2000113.1D768 H770 A846 T847D768-L817 PolarHBondContact OD2-N 3.04Å; H770-L817 HydrophobicContact CB-CB 3.75Å; H770-L817 HydrophobicContact CB-CD1 3.94Å; H770-L817 HydrophobicContact CB-CG 4.33Å; L817-A846 HydrophobicContact CD1-CB 4.42Å; L817-A846 HydrophobicContact CG-CB 4.25Å; L817-T847 VanDerWaalsContact C-OG1 3.28Å; L817-T847 WeakPolarHBondContact O-CG2 3.4Å; L817-T847 PolarHBondContact O-OG1 3.03Å
818I78.9Confident87.6Confident16 Ų1626 Ų268%0.08215%0.146CC..SBendtrans-107.9158-179.860.2172.1000111.9D768 P820 S821 T847 L1166 S1189 A1191D768-I818 HydrophobicContact CB-CD1 4.47Å; D768-I818 HydrophobicContact CB-CG1 4.39Å; D768-I818 PolarHBondContact OD2-N 2.97Å; I818-P820 HydrophobicContact CD1-CG 4.48Å; I818-S821 WeakPolarHBondContact CG1-OG 3.32Å; I818-S821 VanDerWaalsContact O-CB 3.25Å; I818-S821 WeakPolarHBondContact O-CB 3.33Å; I818-S821 PolarHBondContact O-N 3.2Å; I818-S821 PolarHBondContact O-OG 3.31Å; I818-T847 PolarHBondContact O-OG1 3.39Å; I818-L1166 HydrophobicContact CB-CD1 4.38Å; I818-S1189 WeakPolarHBondContact CD1-O 3.23Å; I818-S1189 WeakPolarHBondContact CD1-OG 3.45Å; I818-A1191 HydrophobicContact CD1-CB 4.27Å
819T75.6Confident87.8Confident23 Ų2321.4 Ų21.414%0.14111%0.113CC..Hα-helixtrans-57-43.9-177.7-51.90000113.6S821 L822 N1261T819-S821 PolarHBondContact O-N 3.32Å; T819-L822 WeakPolarHBondContact O-CB 3.44Å; T819-L822 PolarHBondContact O-N 3Å; T819-L822 VanDerWaalsContact O-N 3.17Å; T819-N1261 HydrophobicContact CG2-CB 4.3Å
820P72.9Confident87.5Confident4 Ų425.5 Ų25.53%0.02613%0.132CC..Hα-helixtrans-62.1-24.6178.7-24.335.2000114.3I818 L822 E823 E824 L1166 W1258I818-P820 HydrophobicContact CD1-CG 4.48Å; P820-L822 PolarHBondContact O-N 2.83Å; P820-E823 PolarHBondContact O-N 2.88Å; P820-E823 VanDerWaalsContact O-N 3.1Å; P820-E824 PolarHBondContact O-N 3.42Å; P820-L1166 HydrophobicContact CG-CD1 4.21Å; P820-W1258 HydrophobicContact CB-CZ3 4.44Å; P820-W1258 HydrophobicContact CG-CE3 3.73Å; P820-W1258 HydrophobicContact CG-CH2 4.17Å; P820-W1258 HydrophobicContact CG-CZ3 3.36Å
821S83.1Confident87Confident1 Ų124.5 Ų24.51%0.00713%0.125CC..Hα-helixtrans-59.4-29177.5-56.50000112.1D768 I818 T819 E824 M825D768-S821 WeakPolarHBondContact CB-OG 3.33Å; D768-S821 PolarHBondContact OD2-OG 2.93Å; I818-S821 WeakPolarHBondContact CG1-OG 3.32Å; I818-S821 VanDerWaalsContact O-CB 3.25Å; I818-S821 WeakPolarHBondContact O-CB 3.33Å; I818-S821 PolarHBondContact O-N 3.2Å; I818-S821 PolarHBondContact O-OG 3.31Å; T819-S821 PolarHBondContact O-N 3.32Å; S821-E824 PolarHBondContact O-N 2.86Å; S821-M825 VanDerWaalsContact O-CG 3.29Å; S821-M825 WeakPolarHBondContact O-CG 3.41Å; S821-M825 PolarHBondContact O-N 3.26Å
822L84.8Confident86.9Confident11 Ų1124.5 Ų24.56%0.05813%0.125CC..Hα-helixtrans-66.3-37.5177.8-61.6172.6000112.2T819 P820 M825 V826 T848T819-L822 WeakPolarHBondContact O-CB 3.44Å; T819-L822 PolarHBondContact O-N 3Å; T819-L822 VanDerWaalsContact O-N 3.17Å; P820-L822 PolarHBondContact O-N 2.83Å; L822-M825 HydrophobicContact CD2-SD 4.17Å; L822-M825 WeakPolarHBondContact O-CB 3.17Å; L822-M825 PolarHBondContact O-N 3.15Å; L822-V826 WeakPolarHBondContact O-CG2 3.3Å; L822-V826 PolarHBondContact O-N 3.26Å; L822-V826 VanDerWaalsContact O-N 3.08Å; L822-T848 HydrophobicContact CD2-CG2 3.85Å
823E79.6Confident86.7Confident78 Ų7828.3 Ų28.336%0.36414%0.143SC..Hα-helixtrans-68.4-38.5175.5-66.3-158142.200111.9P820 M825 V826 H827 K1257P820-E823 PolarHBondContact O-N 2.88Å; P820-E823 VanDerWaalsContact O-N 3.1Å; E823-M825 VanDerWaalsContact C-N 3.28Å; E823-M825 PolarHBondContact O-N 2.91Å; E823-V826 WeakPolarHBondContact O-CB 3.19Å; E823-V826 PolarHBondContact O-N 3.36Å; E823-H827 PolarHBondContact O-N 3.44Å; E823-K1257 VanDerWaalsContact OE1-CA 3.31Å; E823-K1257 WeakPolarHBondContact OE1-CA 3.17Å; E823-K1257 WeakPolarHBondContact OE2-CA 3.4Å; E823-K1257 VanDerWaalsContact OE2-CB 3.31Å; E823-K1257 WeakPolarHBondContact OE2-CB 3.5Å; E823-K1257 VanDerWaalsContact OE2-CG 3.25Å; E823-K1257 WeakPolarHBondContact OE2-CG 3.38Å
824E83.1Confident86.1Confident48 Ų4836.1 Ų36.122%0.22417%0.17CC..Hα-helixtrans-63.6-36.2174.7-66.5-63.6148.300111.2V765 P820 S821 H827 V828V765-E824 HydrophobicContact CB-CB 3.99Å; V765-E824 HydrophobicContact CG2-CB 4.04Å; P820-E824 PolarHBondContact O-N 3.42Å; S821-E824 PolarHBondContact O-N 2.86Å; E824-H827 WeakPolarHBondContact O-CB 3.5Å; E824-H827 PolarHBondContact O-N 3.16Å; E824-V828 WeakPolarHBondContact O-CG2 3.42Å; E824-V828 PolarHBondContact O-N 2.94Å
825M92Very high85.7Confident0 Ų038.6 Ų38.60%018%0.183CC..Hα-helixtrans-64.5-40.6172.5-67.2168.1-176.800112.4V765 L814 S815 G816 S821 L822 E823 H827 V828 A829 I843 T848 I857V765-M825 HydrophobicContact CG1-CE 4.49Å; V765-M825 HydrophobicContact CG1-CG 3.95Å; L814-M825 HydrophobicContact CB-CE 4.43Å; L814-M825 HydrophobicContact CB-CG 4.19Å; L814-M825 HydrophobicContact CD1-CB 4.25Å; L814-M825 HydrophobicContact CD1-CG 4.03Å; S815-M825 VanDerWaalsContact C-CE 3.43Å; G816-M825 VanDerWaalsContact N-CE 3.31Å; S821-M825 VanDerWaalsContact O-CG 3.29Å; S821-M825 WeakPolarHBondContact O-CG 3.41Å; S821-M825 PolarHBondContact O-N 3.26Å; L822-M825 HydrophobicContact CD2-SD 4.17Å; L822-M825 WeakPolarHBondContact O-CB 3.17Å; L822-M825 PolarHBondContact O-N 3.15Å; E823-M825 VanDerWaalsContact C-N 3.28Å; E823-M825 PolarHBondContact O-N 2.91Å; M825-H827 VanDerWaalsContact C-N 3.33Å; M825-V828 PolarHBondContact O-N 3.24Å; M825-A829 PolarHBondContact O-N 3.07Å; M825-A829 VanDerWaalsContact O-N 3.07Å; M825-I843 HydrophobicContact CB-CD1 4.18Å; M825-I843 HydrophobicContact CG-CD1 4.27Å; M825-I843 HydrophobicContact SD-CD1 4.28Å; M825-I843 HydrophobicContact SD-CG2 3.68Å; M825-T848 HydrophobicContact CE-CG2 3.88Å; M825-T848 HydrophobicContact SD-CG2 3.99Å; M825-I857 HydrophobicContact CB-CD1 3.88Å; M825-I857 HydrophobicContact SD-CD1 4.36Å
826V88.5Confident85.4Confident25 Ų2540.1 Ų40.115%0.15220%0.202CC..Hα-helixtrans-61.7-43.3172.7173.70000110.6L822 E823 V828 A829 Q830 K856 I857L822-V826 WeakPolarHBondContact O-CG2 3.3Å; L822-V826 PolarHBondContact O-N 3.26Å; L822-V826 VanDerWaalsContact O-N 3.08Å; E823-V826 WeakPolarHBondContact O-CB 3.19Å; E823-V826 PolarHBondContact O-N 3.36Å; V826-V828 PolarHBondContact O-N 3.45Å; V826-A829 PolarHBondContact O-N 3.49Å; V826-Q830 HydrophobicContact CG1-CG 4.44Å; V826-Q830 WeakPolarHBondContact O-CG 3.47Å; V826-Q830 PolarHBondContact O-N 2.89Å; V826-K856 HydrophobicContact CG2-CB 4.21Å; V826-K856 WeakPolarHBondContact CG2-O 3.45Å; V826-I857 HydrophobicContact CG2-CG1 3.76Å
827H83.4Confident85.6Confident66 Ų6641 Ų4131%0.30621%0.206SC..Hα-helixtrans-60.8-43.7178179.642.7000112E823 E824 M825 A829 Q830 E831E823-H827 PolarHBondContact O-N 3.44Å; E824-H827 WeakPolarHBondContact O-CB 3.5Å; E824-H827 PolarHBondContact O-N 3.16Å; M825-H827 VanDerWaalsContact C-N 3.33Å; H827-A829 PolarHBondContact O-N 3.37Å; H827-Q830 PolarHBondContact O-N 2.86Å; H827-E831 PolarHBondContact O-N 3.48Å
828V89.6Confident85.9Confident3 Ų343.6 Ų43.62%0.01821%0.213CC..Hα-helixtrans-60.5-45.3174.8175.40000111.2C797 I800 L801 L814 E824 M825 V826 Q830 E831 M832C797-V828 HydrophobicContact CB-CG2 4.03Å; I800-V828 HydrophobicContact CD1-CG2 4.33Å; L801-V828 HydrophobicContact CD2-CG1 4.47Å; L814-V828 HydrophobicContact CD1-CB 3.89Å; L814-V828 HydrophobicContact CD1-CG1 3.89Å; L814-V828 HydrophobicContact CD1-CG2 4.12Å; E824-V828 WeakPolarHBondContact O-CG2 3.42Å; E824-V828 PolarHBondContact O-N 2.94Å; M825-V828 PolarHBondContact O-N 3.24Å; V826-V828 PolarHBondContact O-N 3.45Å; V828-Q830 VanDerWaalsContact C-N 3.34Å; V828-Q830 PolarHBondContact O-N 3.17Å; V828-E831 PolarHBondContact O-N 2.95Å; V828-M832 HydrophobicContact CG1-CG 4.26Å; V828-M832 HydrophobicContact CG1-SD 3.96Å; V828-M832 WeakPolarHBondContact O-CB 3.44Å; V828-M832 VanDerWaalsContact O-CG 3.28Å; V828-M832 WeakPolarHBondContact O-CG 3.5Å; V828-M832 PolarHBondContact O-N 3.43Å
829A93.2Very high86.7Confident0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-59.4-43.2177.500000112.3M825 V826 H827 M832 E833 L841 I857 C860M825-A829 PolarHBondContact O-N 3.07Å; M825-A829 VanDerWaalsContact O-N 3.07Å; V826-A829 PolarHBondContact O-N 3.49Å; H827-A829 PolarHBondContact O-N 3.37Å; A829-M832 WeakPolarHBondContact O-CB 3.44Å; A829-M832 PolarHBondContact O-N 3.37Å; A829-E833 PolarHBondContact O-N 3.26Å; A829-L841 HydrophobicContact CB-CD2 3.92Å; A829-I857 HydrophobicContact CB-CG2 3.83Å; A829-C860 HydrophobicContact CB-CB 4.21Å
830Q87.7Confident87.6Confident93 Ų9343.8 Ų43.844%0.43521%0.214SC..Hα-helixtrans-63.6-41176.1-70.1174.6-12.600112.6V826 H827 V828 E833 R834 C860V826-Q830 HydrophobicContact CG1-CG 4.44Å; V826-Q830 WeakPolarHBondContact O-CG 3.47Å; V826-Q830 PolarHBondContact O-N 2.89Å; H827-Q830 PolarHBondContact O-N 2.86Å; V828-Q830 VanDerWaalsContact C-N 3.34Å; V828-Q830 PolarHBondContact O-N 3.17Å; Q830-E833 PolarHBondContact O-N 3.23Å; Q830-R834 WeakPolarHBondContact O-CB 3.34Å; Q830-R834 PolarHBondContact O-N 2.94Å; Q830-C860 HydrophobicContact CG-CB 3.71Å
831E84.6Confident88.8Confident41 Ų4143.6 Ų43.619%0.19221%0.213CC..Hα-helixtrans-71.2-35.5177.7-75.1-61.5112.700112.4L801 H827 V828 E833 R834 I835L801-E831 HydrophobicContact CD1-CB 3.77Å; H827-E831 PolarHBondContact O-N 3.48Å; V828-E831 PolarHBondContact O-N 2.95Å; E831-E833 VanDerWaalsContact C-N 3.33Å; E831-R834 VanDerWaalsContact CD-NE 3.31Å; E831-R834 PolarHBondContact O-N 3Å; E831-R834 IonicContact OE1-NE 3.53Å; E831-R834 PolarHBondContact OE1-NE 3.32Å; E831-R834 IonicContact OE2-CZ 2.84Å; E831-R834 IonicContact OE2-NE 2.74Å; E831-R834 PolarHBondContact OE2-NE 3.39Å; E831-R834 IonicContact OE2-NH2 2.99Å; E831-R834 PolarHBondContact OE2-NH2 2.92Å; E831-I835 VanDerWaalsContact O-CG1 3.31Å; E831-I835 WeakPolarHBondContact O-CG1 3.38Å; E831-I835 PolarHBondContact O-N 2.96Å; E831-I835 VanDerWaalsContact O-N 3.09Å
832M95Very high89.5Confident0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-58.6-44.6170.2-74.2177.770.300111.1L801 I812 V828 A829 G836 F837 L841 Y861L801-M832 HydrophobicContact CD2-CG 3.42Å; L801-M832 VanDerWaalsContact CD2-CG 3.42Å; L801-M832 HydrophobicContact CD2-SD 4.34Å; I812-M832 HydrophobicContact CD1-CE 3.9Å; I812-M832 HydrophobicContact CD1-SD 4.18Å; V828-M832 HydrophobicContact CG1-CG 4.26Å; V828-M832 HydrophobicContact CG1-SD 3.96Å; V828-M832 WeakPolarHBondContact O-CB 3.44Å; V828-M832 VanDerWaalsContact O-CG 3.28Å; V828-M832 WeakPolarHBondContact O-CG 3.5Å; V828-M832 PolarHBondContact O-N 3.43Å; A829-M832 WeakPolarHBondContact O-CB 3.44Å; A829-M832 PolarHBondContact O-N 3.37Å; M832-G836 PolarHBondContact O-N 3.22Å; M832-G836 VanDerWaalsContact O-N 3.14Å; M832-F837 HydrophobicContact CB-CB 4.02Å; M832-F837 HydrophobicContact CE-CB 4.11Å; M832-F837 HydrophobicContact CE-CD1 4.4Å; M832-F837 HydrophobicContact CE-CG 4.46Å; M832-F837 HydrophobicContact CG-CB 4.37Å; M832-F837 PolarHBondContact O-N 2.75Å; M832-L841 HydrophobicContact CE-CB 4.3Å; M832-L841 HydrophobicContact SD-CB 4.41Å; M832-L841 HydrophobicContact SD-CD1 3.99Å; M832-L841 HydrophobicContact SD-CD2 4.11Å; M832-L841 HydrophobicContact SD-CG 4.4Å; M832-Y861 HydrophobicContact CB-CD2 3.83Å; M832-Y861 HydrophobicContact CB-CE2 3.66Å; M832-Y861 HydrophobicContact CB-CG 4.5Å; M832-Y861 HydrophobicContact CE-CE1 3.81Å; M832-Y861 HydrophobicContact CE-CE2 4.31Å; M832-Y861 WeakPolarHBondContact CE-OH 3.47Å
833E92.6Very high90Very high80 Ų8043.6 Ų43.637%0.37421%0.213SC..Hα-helixtrans-62.6-49.1174.9-172.860.8-157.600111.3A829 Q830 E831 I835 G836 Y861 S862A829-E833 PolarHBondContact O-N 3.26Å; Q830-E833 PolarHBondContact O-N 3.23Å; E831-E833 VanDerWaalsContact C-N 3.33Å; E833-I835 VanDerWaalsContact C-N 3.26Å; E833-I835 PolarHBondContact O-N 3.42Å; E833-G836 PolarHBondContact O-N 3.28Å; E833-Y861 HydrophobicContact CB-CD2 4.08Å; E833-Y861 WeakPolarHBondContact OE2-CD2 3.36Å; E833-S862 VanDerWaalsContact CD-OG 3.28Å; E833-S862 PolarHBondContact OE1-OG 2.77Å; E833-S862 VanDerWaalsContact OE2-CB 3.26Å; E833-S862 WeakPolarHBondContact OE2-CB 3.45Å; E833-S862 PolarHBondContact OE2-N 3.29Å; E833-S862 PolarHBondContact OE2-OG 2.95Å
834R85.5Confident90.6Very high169 Ų16940.5 Ų40.564%0.63820%0.202SC*.Hα-helixtrans-57.9-36.9-176.7-170.2-175.267.773.9-0.4113Q830 E831Q830-R834 WeakPolarHBondContact O-CB 3.34Å; Q830-R834 PolarHBondContact O-N 2.94Å; E831-R834 VanDerWaalsContact CD-NE 3.31Å; E831-R834 PolarHBondContact O-N 3Å; E831-R834 IonicContact OE1-NE 3.53Å; E831-R834 PolarHBondContact OE1-NE 3.32Å; E831-R834 IonicContact OE2-CZ 2.84Å; E831-R834 IonicContact OE2-NE 2.74Å; E831-R834 PolarHBondContact OE2-NE 3.39Å; E831-R834 IonicContact OE2-NH2 2.99Å; E831-R834 PolarHBondContact OE2-NH2 2.92Å
835I86.4Confident90.7Very high58 Ų5839.8 Ų39.830%0.29721%0.207SC..THydrogen-bonded Turntrans-98.24.9-179.575.9-164.3000113.2L801 E831 E833 F837L801-I835 HydrophobicContact CB-CD1 4.22Å; L801-I835 HydrophobicContact CD1-CD1 3.69Å; L801-I835 HydrophobicContact CG-CD1 4.35Å; E831-I835 VanDerWaalsContact O-CG1 3.31Å; E831-I835 WeakPolarHBondContact O-CG1 3.38Å; E831-I835 PolarHBondContact O-N 2.96Å; E831-I835 VanDerWaalsContact O-N 3.09Å; E833-I835 VanDerWaalsContact C-N 3.26Å; E833-I835 PolarHBondContact O-N 3.42Å; I835-F837 HydrophobicContact CD1-CD2 3.54Å; I835-F837 HydrophobicContact CD1-CE2 3.36Å; I835-F837 HydrophobicContact CG1-CD2 3.41Å; I835-F837 VanDerWaalsContact CG1-CD2 3.41Å; I835-F837 HydrophobicContact CG1-CE2 3.7Å
836G87.8Confident89.9Confident51 Ų5143.9 Ų43.953%0.52624%0.241SC..THydrogen-bonded Turntrans75.931.7171.700000115.3M832 E833M832-G836 PolarHBondContact O-N 3.22Å; M832-G836 VanDerWaalsContact O-N 3.14Å; E833-G836 PolarHBondContact O-N 3.28Å
837F89.6Confident89.1Confident20 Ų2044.8 Ų44.89%0.08825%0.247CC..  trans-62.1151.2167.5-90-106.1000110.6L801 A804 K805 I812 M832 I835 L839 Y861L801-F837 HydrophobicContact CD2-CE2 4.42Å; A804-F837 HydrophobicContact CB-CE1 3.87Å; A804-F837 HydrophobicContact CB-CZ 4.16Å; K805-F837 HydrophobicContact CD-CZ 4.49Å; K805-F837 HydrophobicContact CG-CE2 4.37Å; K805-F837 HydrophobicContact CG-CZ 3.81Å; I812-F837 HydrophobicContact CD1-CD1 4.42Å; I812-F837 HydrophobicContact CD1-CE1 4.25Å; M832-F837 HydrophobicContact CB-CB 4.02Å; M832-F837 HydrophobicContact CE-CB 4.11Å; M832-F837 HydrophobicContact CE-CD1 4.4Å; M832-F837 HydrophobicContact CE-CG 4.46Å; M832-F837 HydrophobicContact CG-CB 4.37Å; M832-F837 PolarHBondContact O-N 2.75Å; I835-F837 HydrophobicContact CD1-CD2 3.54Å; I835-F837 HydrophobicContact CD1-CE2 3.36Å; I835-F837 HydrophobicContact CG1-CD2 3.41Å; I835-F837 VanDerWaalsContact CG1-CD2 3.41Å; I835-F837 HydrophobicContact CG1-CE2 3.7Å; F837-L839 HydrophobicContact CD1-CB 4.25Å; F837-L839 HydrophobicContact CD1-CD1 3.6Å; F837-L839 HydrophobicContact CD1-CG 3.76Å; F837-L839 HydrophobicContact CE1-CD1 3.61Å; F837-L839 HydrophobicContact CE1-CG 4.26Å; F837-Y861 HydrophobicContact CB-CE2 4.16Å; F837-Y861 VanDerWaalsContact O-CE2 3.29Å; F837-Y861 WeakPolarHBondContact O-CE2 3.42Å; F837-Y861 PolarHBondContact O-OH 2.89Å
838K90.6Very high89.1Confident128 Ų12842.3 Ų42.356%0.55724%0.236SC*.  trans-129.17.1169.9-62.8-65.6171.5-173.60113Y861 S862K838-Y861 VanDerWaalsContact CA-OH 3.23Å; K838-Y861 WeakPolarHBondContact CA-OH 3.25Å; K838-Y861 PolarHBondContact N-OH 3.01Å; K838-S862 PolarHBondContact NZ-OG 3.46Å
839L94.3Very high88.8Confident38 Ų3844.6 Ų44.620%0.19925%0.252CS..SBendtrans-68.8143.3178-56.9-177.9000110.5A809 I812 F837 Y861A809-L839 HydrophobicContact CB-CD1 4.35Å; A809-L839 WeakPolarHBondContact O-CD1 3.43Å; A809-L839 VanDerWaalsContact O-CD2 3.23Å; A809-L839 WeakPolarHBondContact O-CD2 3.48Å; I812-L839 HydrophobicContact CD1-CD1 4.47Å; I812-L839 HydrophobicContact CG1-CD1 4.42Å; F837-L839 HydrophobicContact CD1-CB 4.25Å; F837-L839 HydrophobicContact CD1-CD1 3.6Å; F837-L839 HydrophobicContact CD1-CG 3.76Å; F837-L839 HydrophobicContact CE1-CD1 3.61Å; F837-L839 HydrophobicContact CE1-CG 4.26Å; L839-Y861 PolarHBondContact N-OH 3.05Å; L839-Y861 VanDerWaalsContact O-CE1 3.27Å; L839-Y861 WeakPolarHBondContact O-CE1 3.47Å; L839-Y861 PolarHBondContact O-OH 2.93Å
840P96.4Very high88.5Confident5 Ų550.6 Ų50.63%0.03228%0.275CS..  trans-57.9139.3168-24.435.2000112.7D810 I811 I812 P864 L881D810-P840 VanDerWaalsContact O-CD 3.28Å; D810-P840 WeakPolarHBondContact O-CD 3.25Å; I811-P840 HydrophobicContact CG1-CB 4.42Å; I811-P840 HydrophobicContact CG1-CG 4.42Å; I811-P840 HydrophobicContact CG2-CB 4.47Å; I812-P840 PolarHBondContact N-O 3.42Å; P840-P864 CarbonylContact C-O 3.59Å; P840-P864 WeakPolarHBondContact CA-O 3.39Å; P840-P864 HydrophobicContact CB-CB 4.11Å; P840-P864 HydrophobicContact CG-CB 4.38Å; P840-P864 HydrophobicContact CG-CG 4.26Å; P840-L881 HydrophobicContact CB-CD1 3.77Å; P840-L881 HydrophobicContact CB-CD2 4.17Å; P840-L881 HydrophobicContact CG-CD1 4.13Å; P840-L881 HydrophobicContact CG-CD2 3.94Å; P840-L881 HydrophobicContact CG-CG 4.44Å
841L97.5Very high88.2Confident0 Ų048 Ų480%027%0.269CS..EExtended strand (participates in β ladder)trans-112113.2176178.862.5000110I812 L814 A829 M832 I843 I857 Y861 P864 V865 I866I812-L841 HydrophobicContact CB-CD1 4.23Å; I812-L841 HydrophobicContact CG2-CD1 4Å; I812-L841 CarbonylContact O-C 3.59Å; I812-L841 WeakPolarHBondContact O-CA 3.36Å; L814-L841 HydrophobicContact CD1-CD1 3.81Å; L814-L841 HydrophobicContact CG-CD1 3.83Å; A829-L841 HydrophobicContact CB-CD2 3.92Å; M832-L841 HydrophobicContact CE-CB 4.3Å; M832-L841 HydrophobicContact SD-CB 4.41Å; M832-L841 HydrophobicContact SD-CD1 3.99Å; M832-L841 HydrophobicContact SD-CD2 4.11Å; M832-L841 HydrophobicContact SD-CG 4.4Å; L841-I843 HydrophobicContact CD1-CD1 4.38Å; L841-I843 HydrophobicContact CD2-CD1 4.12Å; L841-I843 HydrophobicContact CG-CD1 3.95Å; L841-I857 HydrophobicContact CD2-CG2 4.26Å; L841-Y861 HydrophobicContact CB-CE1 4.47Å; L841-P864 PolarHBondContact N-O 3.17Å; L841-V865 HydrophobicContact CB-CG2 4.3Å; L841-V865 HydrophobicContact CD2-CG2 4.32Å; L841-V865 CarbonylContact O-C 3.59Å; L841-V865 WeakPolarHBondContact O-CA 3.4Å; L841-I866 PolarHBondContact O-N 2.83Å
842L97.5Very high88.1Confident11 Ų1148.1 Ų48.16%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-92.7134.1176-52.6-175.7000110.6I811 I812 G813 L814 I866 V868 V877 L881I811-L842 HydrophobicContact CG2-CD1 3.67Å; I811-L842 HydrophobicContact CG2-CD2 4.4Å; I811-L842 HydrophobicContact CG2-CG 3.62Å; I812-L842 PolarHBondContact O-N 2.95Å; G813-L842 CarbonylContact C-O 3.36Å; G813-L842 WeakPolarHBondContact CA-O 3.25Å; L814-L842 PolarHBondContact N-O 2.79Å; L842-I866 CarbonylContact C-O 3.31Å; L842-I866 VanDerWaalsContact CA-O 3.31Å; L842-I866 WeakPolarHBondContact CA-O 3.47Å; L842-I866 HydrophobicContact CD2-CB 3.88Å; L842-I866 HydrophobicContact CD2-CD1 4.38Å; L842-I866 HydrophobicContact CD2-CG2 4.39Å; L842-V868 HydrophobicContact CB-CG2 4.12Å; L842-V868 HydrophobicContact CD1-CG2 4.28Å; L842-V868 HydrophobicContact CD2-CG2 4.12Å; L842-V868 HydrophobicContact CG-CG2 4.4Å; L842-V877 HydrophobicContact CD2-CG1 3.81Å; L842-L881 HydrophobicContact CD2-CD1 4Å
843I95.5Very high87.8Confident2 Ų248.1 Ų48.11%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-117.6126.3-179.8-57.5-59.5000109.3L814 M825 L841 T848 I857 V865 I866 H867 V868L814-I843 HydrophobicContact CB-CD1 4.26Å; L814-I843 HydrophobicContact CD1-CD1 4.19Å; M825-I843 HydrophobicContact CB-CD1 4.18Å; M825-I843 HydrophobicContact CG-CD1 4.27Å; M825-I843 HydrophobicContact SD-CD1 4.28Å; M825-I843 HydrophobicContact SD-CG2 3.68Å; L841-I843 HydrophobicContact CD1-CD1 4.38Å; L841-I843 HydrophobicContact CD2-CD1 4.12Å; L841-I843 HydrophobicContact CG-CD1 3.95Å; I843-T848 HydrophobicContact CG2-CG2 3.78Å; I843-I857 HydrophobicContact CD1-CD1 4.02Å; I843-I857 HydrophobicContact CD1-CG2 4.27Å; I843-I857 HydrophobicContact CG1-CD1 3.93Å; I843-I857 HydrophobicContact CG1-CG2 4.39Å; I843-I857 HydrophobicContact CG2-CD1 3.92Å; I843-V865 HydrophobicContact CG1-CG1 4Å; I843-I866 PolarHBondContact N-O 3.46Å; I843-H867 CarbonylContact O-C 3.59Å; I843-H867 WeakPolarHBondContact O-CA 3.5Å; I843-H867 PolarHBondContact O-CD2 3.06Å; I843-H867 VanDerWaalsContact O-CD2 3.26Å; I843-V868 PolarHBondContact O-N 2.79Å
844G92Very high87.6Confident13 Ų1344.3 Ų44.313%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-149.4171.7177.600000114.3L814 S815 G816 T848L814-G844 PolarHBondContact O-N 3.16Å; S815-G844 WeakPolarHBondContact CA-O 3.43Å; G816-G844 PolarHBondContact N-O 2.88Å; G816-G844 VanDerWaalsContact N-O 3.16Å; G844-T848 VanDerWaalsContact C-OG1 3.3Å; G844-T848 VanDerWaalsContact O-CG2 3.23Å; G844-T848 WeakPolarHBondContact O-CG2 3.39Å
845G84.3Confident87.6Confident32 Ų3236.7 Ų36.733%0.3322%0.224SC..SBendtrans114.5164.6-178.500000113.6G816 T847 T848G816-G845 CarbonylContact O-C 2.96Å; G816-G845 VanDerWaalsContact O-CA 3.22Å; G816-G845 WeakPolarHBondContact O-CA 3.24Å; G845-T847 PolarHBondContact O-N 2.85Å; G845-T848 PolarHBondContact N-OG1 3.28Å; G845-T848 WeakPolarHBondContact O-CB 3.36Å; G845-T848 PolarHBondContact O-N 3.3Å; G845-T848 PolarHBondContact O-OG1 2.95Å
846A75.9Confident87.4Confident87 Ų8738 Ų3872%0.71923%0.228SC*.THydrogen-bonded Turntrans-65.1-31.6-163.300000114.8G816 L817 T848G816-A846 PolarHBondContact O-N 2.64Å; L817-A846 HydrophobicContact CD1-CB 4.42Å; L817-A846 HydrophobicContact CG-CB 4.25Å; A846-T848 VanDerWaalsContact C-N 3.32Å
847T71.9Confident87.5Confident44 Ų4435.5 Ų35.527%0.2720%0.203SC..THydrogen-bonded Turntrans-82.8-11.1175.6430000113.4G816 L817 I818 G845G816-T847 PolarHBondContact O-OG1 3.34Å; L817-T847 VanDerWaalsContact C-OG1 3.28Å; L817-T847 WeakPolarHBondContact O-CG2 3.4Å; L817-T847 PolarHBondContact O-OG1 3.03Å; I818-T847 PolarHBondContact O-OG1 3.39Å; G845-T847 PolarHBondContact O-N 2.85Å
848T83.2Confident87.7Confident13 Ų1335.3 Ų35.38%0.0821%0.205CC..  trans-80.3146.2179.973.50000111.2L822 M825 I843 G844 G845 A846 H867L822-T848 HydrophobicContact CD2-CG2 3.85Å; M825-T848 HydrophobicContact CE-CG2 3.88Å; M825-T848 HydrophobicContact SD-CG2 3.99Å; I843-T848 HydrophobicContact CG2-CG2 3.78Å; G844-T848 VanDerWaalsContact C-OG1 3.3Å; G844-T848 VanDerWaalsContact O-CG2 3.23Å; G844-T848 WeakPolarHBondContact O-CG2 3.39Å; G845-T848 PolarHBondContact N-OG1 3.28Å; G845-T848 WeakPolarHBondContact O-CB 3.36Å; G845-T848 PolarHBondContact O-N 3.3Å; G845-T848 PolarHBondContact O-OG1 2.95Å; A846-T848 VanDerWaalsContact C-N 3.32Å; T848-H867 PolarHBondContact OG1-CD2 3.24Å; T848-H867 PolarHBondContact OG1-NE2 3.17Å
849S83.5Confident87.7Confident52 Ų5232.9 Ų32.936%0.36420%0.202SC..  trans-144.1158.417365.40000110.2A851 H852 A853S849-A851 PolarHBondContact O-N 2.91Å; S849-H852 PolarHBondContact O-N 3.2Å; S849-H852 VanDerWaalsContact O-N 3.08Å; S849-H852 WeakPolarHBondContact OG-CB 3.49Å; S849-H852 PolarHBondContact OG-N 3.19Å; S849-A853 PolarHBondContact O-N 3.35Å
850R86.3Confident87.5Confident126 Ų12632.7 Ų32.748%0.47520%0.203SC..Hα-helixtrans-54-43.5173.8-173.1-175.4-63.7170-3.2111.7H852 A853 A854 H867 Y898R850-H852 VanDerWaalsContact C-N 3.35Å; R850-H852 PolarHBondContact O-N 3.22Å; R850-A853 PolarHBondContact O-N 3.05Å; R850-A854 VanDerWaalsContact O-CB 3.28Å; R850-A854 WeakPolarHBondContact O-CB 3.44Å; R850-A854 PolarHBondContact O-N 3.08Å; R850-H867 PolarHBondContact N-ND1 3.3Å; R850-Y898 HydrophobicContact CG-CD1 4.45Å; R850-Y898 HydrophobicContact CG-CE1 3.8Å
851A82.4Confident87.5Confident38 Ų3832.9 Ų32.931%0.31420%0.204SC..Hα-helixtrans-59.9-44.6176.700000111.9S849 A854 V855 V901S849-A851 PolarHBondContact O-N 2.91Å; A851-A854 PolarHBondContact O-N 2.95Å; A851-V855 VanDerWaalsContact O-CB 3.27Å; A851-V855 WeakPolarHBondContact O-CB 3.29Å; A851-V855 WeakPolarHBondContact O-CG2 3.4Å; A851-V855 PolarHBondContact O-N 3.49Å; A851-V901 HydrophobicContact CB-CG1 4.12Å
852H81.7Confident87.1Confident43 Ų4336.2 Ų36.220%0.19923%0.227CC..Hα-helixtrans-66.7-43.9178.9-157.393.7000112.2S849 R850 V855 K856S849-H852 PolarHBondContact O-N 3.2Å; S849-H852 VanDerWaalsContact O-N 3.08Å; S849-H852 WeakPolarHBondContact OG-CB 3.49Å; S849-H852 PolarHBondContact OG-N 3.19Å; R850-H852 VanDerWaalsContact C-N 3.35Å; R850-H852 PolarHBondContact O-N 3.22Å; H852-V855 PolarHBondContact O-N 2.79Å; H852-K856 WeakPolarHBondContact O-CB 3.39Å; H852-K856 PolarHBondContact O-N 3.32Å
853A89.2Confident86.8Confident1 Ų136.2 Ų36.21%0.00823%0.229CC..Iπ-helixtrans-60-47.8176.200000111.5S849 R850 I857 A858 H867 Y898S849-A853 PolarHBondContact O-N 3.35Å; R850-A853 PolarHBondContact O-N 3.05Å; A853-I857 PolarHBondContact O-N 3.44Å; A853-A858 WeakPolarHBondContact O-CB 3.32Å; A853-A858 PolarHBondContact O-N 3.46Å; A853-H867 HydrophobicContact CB-CB 3.86Å; A853-Y898 HydrophobicContact CB-CE2 4.43Å
854A88.6Confident86.7Confident0 Ų037.3 Ų37.30%024%0.236CC..Iπ-helixtrans-64.7-41-179.700000113R850 A851 P859 Y898 V901 R902R850-A854 VanDerWaalsContact O-CB 3.28Å; R850-A854 WeakPolarHBondContact O-CB 3.44Å; R850-A854 PolarHBondContact O-N 3.08Å; A851-A854 PolarHBondContact O-N 2.95Å; A854-P859 WeakPolarHBondContact O-CD 3.4Å; A854-Y898 HydrophobicContact CB-CD1 3.91Å; A854-Y898 HydrophobicContact CB-CD2 3.81Å; A854-Y898 HydrophobicContact CB-CE1 4.38Å; A854-Y898 HydrophobicContact CB-CE2 4.26Å; A854-Y898 HydrophobicContact CB-CG 3.6Å; A854-V901 HydrophobicContact CB-CB 4.21Å; A854-V901 HydrophobicContact CB-CG1 3.84Å; A854-R902 HydrophobicContact CB-CG 4.35Å; A854-R902 WeakPolarHBondContact O-CD 3.48Å; A854-R902 WeakPolarHBondContact O-CG 3.49Å; A854-R902 PolarHBondContact O-NE 3.37Å
855V84.3Confident86.9Confident9 Ų937 Ų376%0.05523%0.232CC..Iπ-helixtrans-88.5-36.9-172176.20000113.1A851 H852 R902 Y905A851-V855 VanDerWaalsContact O-CB 3.27Å; A851-V855 WeakPolarHBondContact O-CB 3.29Å; A851-V855 WeakPolarHBondContact O-CG2 3.4Å; A851-V855 PolarHBondContact O-N 3.49Å; H852-V855 PolarHBondContact O-N 2.79Å; V855-R902 HydrophobicContact CB-CG 4.49Å; V855-R902 HydrophobicContact CG2-CG 3.9Å; V855-Y905 HydrophobicContact CB-CD1 4.42Å; V855-Y905 HydrophobicContact CG1-CD1 3.79Å; V855-Y905 HydrophobicContact CG1-CE1 3.75Å; V855-Y905 HydrophobicContact CG2-CD1 3.77Å; V855-Y905 HydrophobicContact CG2-CD2 4.4Å; V855-Y905 HydrophobicContact CG2-CE1 4.4Å; V855-Y905 HydrophobicContact CG2-CG 3.76Å
856K83.4Confident87.4Confident84 Ų8435.7 Ų35.737%0.36522%0.218SC..Iπ-helixtrans-109.8-33.9-169.1-62.7-68.5-173.8170.70113.8V826 H852 C860V826-K856 HydrophobicContact CG2-CB 4.21Å; V826-K856 WeakPolarHBondContact CG2-O 3.45Å; H852-K856 WeakPolarHBondContact O-CB 3.39Å; H852-K856 PolarHBondContact O-N 3.32Å; K856-C860 PolarHBondContact O-SG 3.32Å; K856-C860 VanDerWaalsContact O-SG 3.36Å
857I90.2Very high88.3Confident0 Ų033.3 Ų33.30%019%0.191CC..Iπ-helixtrans-100.1-54.7-172.5-52.7173.6000111.1M825 V826 A829 L841 I843 A853 P859 C860 V865M825-I857 HydrophobicContact CB-CD1 3.88Å; M825-I857 HydrophobicContact SD-CD1 4.36Å; V826-I857 HydrophobicContact CG2-CG1 3.76Å; A829-I857 HydrophobicContact CB-CG2 3.83Å; L841-I857 HydrophobicContact CD2-CG2 4.26Å; I843-I857 HydrophobicContact CD1-CD1 4.02Å; I843-I857 HydrophobicContact CD1-CG2 4.27Å; I843-I857 HydrophobicContact CG1-CD1 3.93Å; I843-I857 HydrophobicContact CG1-CG2 4.39Å; I843-I857 HydrophobicContact CG2-CD1 3.92Å; A853-I857 PolarHBondContact O-N 3.44Å; I857-P859 VanDerWaalsContact C-CD 3.44Å; I857-P859 VanDerWaalsContact C-N 3.34Å; I857-C860 VanDerWaalsContact O-CB 3.32Å; I857-C860 WeakPolarHBondContact O-CB 3.45Å; I857-C860 PolarHBondContact O-N 3.23Å; I857-V865 HydrophobicContact CB-CG1 4.22Å; I857-V865 HydrophobicContact CG2-CG1 3.77Å
858A93Very high89.2Confident16 Ų1632 Ų3213%0.13218%0.183CC..G310 helixtrans-53.2-40.7-177.700000114A853 C860 Y861 V865 Y898A853-A858 WeakPolarHBondContact O-CB 3.32Å; A853-A858 PolarHBondContact O-N 3.46Å; A858-C860 PolarHBondContact O-N 3.39Å; A858-C860 VanDerWaalsContact O-N 3.12Å; A858-Y861 PolarHBondContact O-N 3.45Å; A858-V865 HydrophobicContact CB-CB 3.96Å; A858-V865 HydrophobicContact CB-CG1 4.35Å; A858-V865 HydrophobicContact CB-CG2 4.41Å; A858-Y898 HydrophobicContact CB-CD2 3.86Å; A858-Y898 HydrophobicContact CB-CE2 4.14Å
859P90.7Very high89.1Confident77 Ų7734.4 Ų34.450%0.521%0.205SC..G310 helixtrans-67.8-12.9178.1-22.436.5000114.6A854 I857A854-P859 WeakPolarHBondContact O-CD 3.4Å; I857-P859 VanDerWaalsContact C-CD 3.44Å; I857-P859 VanDerWaalsContact C-N 3.34Å
860C91Very high88.8Confident33 Ų3333.8 Ų33.822%0.22320%0.197CC..G310 helixtrans-90.7-4.2-178.9-63.90000113.4A829 Q830 K856 I857 A858A829-C860 HydrophobicContact CB-CB 4.21Å; Q830-C860 HydrophobicContact CG-CB 3.71Å; K856-C860 PolarHBondContact O-SG 3.32Å; K856-C860 VanDerWaalsContact O-SG 3.36Å; I857-C860 VanDerWaalsContact O-CB 3.32Å; I857-C860 WeakPolarHBondContact O-CB 3.45Å; I857-C860 PolarHBondContact O-N 3.23Å; A858-C860 PolarHBondContact O-N 3.39Å; A858-C860 VanDerWaalsContact O-N 3.12Å
861Y94.9Very high88.2Confident10 Ų1028 Ų284%0.03918%0.177CC..  trans-145.8130.3-176.9178.8-126.9000110.9M832 E833 F837 K838 L839 L841 A858 G863 V865M832-Y861 HydrophobicContact CB-CD2 3.83Å; M832-Y861 HydrophobicContact CB-CE2 3.66Å; M832-Y861 HydrophobicContact CB-CG 4.5Å; M832-Y861 HydrophobicContact CE-CE1 3.81Å; M832-Y861 HydrophobicContact CE-CE2 4.31Å; M832-Y861 WeakPolarHBondContact CE-OH 3.47Å; E833-Y861 HydrophobicContact CB-CD2 4.08Å; E833-Y861 WeakPolarHBondContact OE2-CD2 3.36Å; F837-Y861 HydrophobicContact CB-CE2 4.16Å; F837-Y861 VanDerWaalsContact O-CE2 3.29Å; F837-Y861 WeakPolarHBondContact O-CE2 3.42Å; F837-Y861 PolarHBondContact O-OH 2.89Å; K838-Y861 VanDerWaalsContact CA-OH 3.23Å; K838-Y861 WeakPolarHBondContact CA-OH 3.25Å; K838-Y861 PolarHBondContact N-OH 3.01Å; L839-Y861 PolarHBondContact N-OH 3.05Å; L839-Y861 VanDerWaalsContact O-CE1 3.27Å; L839-Y861 WeakPolarHBondContact O-CE1 3.47Å; L839-Y861 PolarHBondContact O-OH 2.93Å; L841-Y861 HydrophobicContact CB-CE1 4.47Å; A858-Y861 PolarHBondContact O-N 3.45Å; Y861-G863 VanDerWaalsContact C-N 3.3Å; Y861-G863 WeakPolarHBondContact CD1-O 3.48Å; Y861-G863 PolarHBondContact O-N 3.42Å; Y861-V865 HydrophobicContact CD1-CG2 3.76Å; Y861-V865 HydrophobicContact CG-CG2 4.49Å
862S89.7Confident87.7Confident69 Ų6927.9 Ų27.948%0.48317%0.174SC..SBendtrans-78.5-11.8-177.860.60000114E833 K838E833-S862 VanDerWaalsContact CD-OG 3.28Å; E833-S862 PolarHBondContact OE1-OG 2.77Å; E833-S862 VanDerWaalsContact OE2-CB 3.26Å; E833-S862 WeakPolarHBondContact OE2-CB 3.45Å; E833-S862 PolarHBondContact OE2-N 3.29Å; E833-S862 PolarHBondContact OE2-OG 2.95Å; K838-S862 PolarHBondContact NZ-OG 3.46Å
863G90.2Very high87.6Confident11 Ų1131 Ų3111%0.11319%0.187CC..SBendtrans-87.5172.1171.700000112.3Y861 V865Y861-G863 VanDerWaalsContact C-N 3.3Å; Y861-G863 WeakPolarHBondContact CD1-O 3.48Å; Y861-G863 PolarHBondContact O-N 3.42Å; G863-V865 PolarHBondContact O-N 2.77Å
864P93.8Very high87.4Confident25 Ų2531.1 Ų31.116%0.16219%0.187CC..  trans-60.7129-177.9-24.535.3000112.2P840 L841 I866 L891P840-P864 CarbonylContact C-O 3.59Å; P840-P864 WeakPolarHBondContact CA-O 3.39Å; P840-P864 HydrophobicContact CB-CB 4.11Å; P840-P864 HydrophobicContact CG-CB 4.38Å; P840-P864 HydrophobicContact CG-CG 4.26Å; L841-P864 PolarHBondContact N-O 3.17Å; P864-I866 HydrophobicContact CB-CD1 4.4Å; P864-L891 HydrophobicContact CB-CD2 3.56Å; P864-L891 HydrophobicContact CG-CD1 3.95Å; P864-L891 HydrophobicContact CG-CD2 3.59Å; P864-L891 HydrophobicContact CG-CG 4.44Å
865V96Very high87.1Confident8 Ų831.9 Ų31.95%0.04819%0.192CC..EExtended strand (participates in β ladder)trans-119.3120.7170-1800000108.2L841 I843 I857 A858 Y861 G863 Y898L841-V865 HydrophobicContact CB-CG2 4.3Å; L841-V865 HydrophobicContact CD2-CG2 4.32Å; L841-V865 CarbonylContact O-C 3.59Å; L841-V865 WeakPolarHBondContact O-CA 3.4Å; I843-V865 HydrophobicContact CG1-CG1 4Å; I857-V865 HydrophobicContact CB-CG1 4.22Å; I857-V865 HydrophobicContact CG2-CG1 3.77Å; A858-V865 HydrophobicContact CB-CB 3.96Å; A858-V865 HydrophobicContact CB-CG1 4.35Å; A858-V865 HydrophobicContact CB-CG2 4.41Å; Y861-V865 HydrophobicContact CD1-CG2 3.76Å; Y861-V865 HydrophobicContact CG-CG2 4.49Å; G863-V865 PolarHBondContact O-N 2.77Å; V865-Y898 WeakPolarHBondContact O-CE2 3.31Å
866I95.9Very high86.9Confident4 Ų435.5 Ų35.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-131122.5-172.7-62.7155.4000110.7L841 L842 I843 P864 V868 V877 L881 F890 L891 I894L841-I866 PolarHBondContact O-N 2.83Å; L842-I866 CarbonylContact C-O 3.31Å; L842-I866 VanDerWaalsContact CA-O 3.31Å; L842-I866 WeakPolarHBondContact CA-O 3.47Å; L842-I866 HydrophobicContact CD2-CB 3.88Å; L842-I866 HydrophobicContact CD2-CD1 4.38Å; L842-I866 HydrophobicContact CD2-CG2 4.39Å; I843-I866 PolarHBondContact N-O 3.46Å; P864-I866 HydrophobicContact CB-CD1 4.4Å; I866-V868 HydrophobicContact CG2-CG2 4.39Å; I866-V877 HydrophobicContact CD1-CG1 4.3Å; I866-V877 HydrophobicContact CG2-CG1 3.91Å; I866-L881 HydrophobicContact CD1-CD1 3.79Å; I866-L881 HydrophobicContact CD1-CD2 3.7Å; I866-L881 HydrophobicContact CD1-CG 4.09Å; I866-F890 HydrophobicContact CD1-CE1 3.96Å; I866-L891 HydrophobicContact CD1-CD2 4.46Å; I866-I894 HydrophobicContact CG1-CG1 4.43Å; I866-I894 HydrophobicContact CG1-CG2 4.06Å
867H95.1Very high87.2Confident36 Ų3632.3 Ų32.317%0.16720%0.201CC..EExtended strand (participates in β ladder)trans-73.3123.9168.7-178.5-119.3000110.9I843 T848 R850 A853 Y898I843-H867 CarbonylContact O-C 3.59Å; I843-H867 WeakPolarHBondContact O-CA 3.5Å; I843-H867 PolarHBondContact O-CD2 3.06Å; I843-H867 VanDerWaalsContact O-CD2 3.26Å; T848-H867 PolarHBondContact OG1-CD2 3.24Å; T848-H867 PolarHBondContact OG1-NE2 3.17Å; R850-H867 PolarHBondContact N-ND1 3.3Å; A853-H867 HydrophobicContact CB-CB 3.86Å; H867-Y898 WeakPolarHBondContact CB-OH 3.48Å; H867-Y898 PolarHBondContact N-OH 3.19Å
868V90.8Very high87.2Confident16 Ų1632.3 Ų32.310%0.09720%0.201CC..  trans-111.7108.8176.5-175.50000108L842 I843 I866 D870 K873 V877L842-V868 HydrophobicContact CB-CG2 4.12Å; L842-V868 HydrophobicContact CD1-CG2 4.28Å; L842-V868 HydrophobicContact CD2-CG2 4.12Å; L842-V868 HydrophobicContact CG-CG2 4.4Å; I843-V868 PolarHBondContact O-N 2.79Å; I866-V868 HydrophobicContact CG2-CG2 4.39Å; V868-D870 VanDerWaalsContact CG1-O 3.31Å; V868-D870 WeakPolarHBondContact CG1-O 3.3Å; V868-D870 PolarHBondContact O-N 3.25Å; V868-K873 HydrophobicContact CG1-CB 4.38Å; V868-V877 HydrophobicContact CG2-CG1 4.29Å; V868-V877 HydrophobicContact CG2-CG2 4.47Å
869A79.9Confident86.8Confident65 Ų6532.6 Ų32.654%0.53720%0.202SC..  trans-69.4-31.3-17000000114
870D77.5Confident86.6Confident38 Ų3830.3 Ų30.320%0.20319%0.188CC..SBendtrans-155.7171.8-176.658.654.5000110.7V868 S872 K873V868-D870 VanDerWaalsContact CG1-O 3.31Å; V868-D870 WeakPolarHBondContact CG1-O 3.3Å; V868-D870 PolarHBondContact O-N 3.25Å; D870-S872 PolarHBondContact O-N 3.22Å; D870-S872 PolarHBondContact OD1-N 3.01Å; D870-S872 VanDerWaalsContact OD1-N 3.12Å; D870-S872 PolarHBondContact OD1-OG 2.89Å; D870-K873 WeakPolarHBondContact OD1-CG 3.42Å; D870-K873 PolarHBondContact OD1-N 3.14Å
871A74.3Confident86.6Confident5 Ų528.8 Ų28.84%0.04118%0.178CC..Hα-helixtrans-69.1-29.9-177.200000114.6I776 V777 V780 K873 S874I776-A871 HydrophobicContact CG2-CB 3.49Å; I776-A871 VanDerWaalsContact CG2-CB 3.49Å; V777-A871 HydrophobicContact CG2-CB 3.72Å; V780-A871 HydrophobicContact CG2-CB 4.32Å; A871-K873 VanDerWaalsContact C-N 3.3Å; A871-K873 PolarHBondContact O-N 3.3Å; A871-S874 WeakPolarHBondContact O-CB 3.45Å; A871-S874 PolarHBondContact O-N 3.29Å; A871-S874 PolarHBondContact O-OG 2.93Å
872S71.3Confident86.3Confident36 Ų3630.9 Ų30.925%0.25219%0.189SC..Hα-helixtrans-69.2-30.9-177.965.60000112.4F713 D870 S874F713-S872 VanDerWaalsContact CE1-CA 3.46Å; D870-S872 PolarHBondContact O-N 3.22Å; D870-S872 PolarHBondContact OD1-N 3.01Å; D870-S872 VanDerWaalsContact OD1-N 3.12Å; D870-S872 PolarHBondContact OD1-OG 2.89Å; S872-S874 VanDerWaalsContact C-N 3.33Å
873K79.4Confident86Confident109 Ų10930.5 Ų30.547%0.47418%0.182SC..Hα-helixtrans-76.5-18175.2-66.1-179.3-174.9-177.80114.2V868 D870 A871 V875 V876 V877V868-K873 HydrophobicContact CG1-CB 4.38Å; D870-K873 WeakPolarHBondContact OD1-CG 3.42Å; D870-K873 PolarHBondContact OD1-N 3.14Å; A871-K873 VanDerWaalsContact C-N 3.3Å; A871-K873 PolarHBondContact O-N 3.3Å; K873-V875 VanDerWaalsContact C-N 3.27Å; K873-V875 PolarHBondContact O-N 2.8Å; K873-V876 PolarHBondContact O-N 3.21Å; K873-V877 WeakPolarHBondContact O-CG2 3.43Å; K873-V877 PolarHBondContact O-N 2.73Å; K873-V877 VanDerWaalsContact O-N 3.1Å
874S85.6Confident85.6Confident2 Ų238.7 Ų38.71%0.01422%0.217CC..Hα-helixtrans-57.9-39.5-176.568.40000112.6A871 S872 C878A871-S874 WeakPolarHBondContact O-CB 3.45Å; A871-S874 PolarHBondContact O-N 3.29Å; A871-S874 PolarHBondContact O-OG 2.93Å; S872-S874 VanDerWaalsContact C-N 3.33Å; S874-C878 WeakPolarHBondContact O-CB 3.42Å; S874-C878 PolarHBondContact O-N 2.71Å; S874-C878 PolarHBondContact O-SG 3.18Å
875V82Confident84.9Confident16 Ų1646.1 Ų46.110%0.09725%0.247CC..Hα-helixtrans-66.3-47.1-178.8178.60000111.9V780 N784 K873 C878 S879V780-V875 HydrophobicContact CG1-CG2 3.42Å; V780-V875 VanDerWaalsContact CG1-CG2 3.42Å; N784-V875 HydrophobicContact CB-CG1 3.74Å; N784-V875 HydrophobicContact CB-CG2 4.21Å; N784-V875 WeakPolarHBondContact ND2-CG2 3.2Å; N784-V875 VanDerWaalsContact OD1-CG1 3.24Å; N784-V875 WeakPolarHBondContact OD1-CG1 3.28Å; K873-V875 VanDerWaalsContact C-N 3.27Å; K873-V875 PolarHBondContact O-N 2.8Å; V875-C878 PolarHBondContact O-N 2.87Å; V875-S879 VanDerWaalsContact O-CB 3.23Å; V875-S879 WeakPolarHBondContact O-CB 3.41Å; V875-S879 PolarHBondContact O-N 3.35Å; V875-S879 PolarHBondContact O-OG 2.92Å
876V80.9Confident84.1Confident85 Ų8550.3 Ų50.352%0.51527%0.266SS..Hα-helixtrans-62.8-47.9-178.7179.60000109K873 C878 S879 S880K873-V876 PolarHBondContact O-N 3.21Å; V876-C878 PolarHBondContact O-N 3.31Å; V876-S879 PolarHBondContact O-N 3Å; V876-S880 WeakPolarHBondContact O-CB 3.22Å; V876-S880 PolarHBondContact O-N 3.44Å; V876-S880 PolarHBondContact O-OG 3.41Å
877V88.1Confident83.7Confident17 Ų1754.5 Ų54.510%0.10328%0.281CS..Hα-helixtrans-59.8-49.7177.6173.70000111.3L842 I866 V868 K873 S879 S880 L881 F890L842-V877 HydrophobicContact CD2-CG1 3.81Å; I866-V877 HydrophobicContact CD1-CG1 4.3Å; I866-V877 HydrophobicContact CG2-CG1 3.91Å; V868-V877 HydrophobicContact CG2-CG1 4.29Å; V868-V877 HydrophobicContact CG2-CG2 4.47Å; K873-V877 WeakPolarHBondContact O-CG2 3.43Å; K873-V877 PolarHBondContact O-N 2.73Å; K873-V877 VanDerWaalsContact O-N 3.1Å; V877-S879 VanDerWaalsContact C-N 3.33Å; V877-S879 PolarHBondContact O-N 3.25Å; V877-S880 PolarHBondContact O-N 3.21Å; V877-L881 HydrophobicContact CG1-CD1 3.89Å; V877-L881 WeakPolarHBondContact O-CB 3.37Å; V877-L881 VanDerWaalsContact O-CG 3.26Å; V877-L881 WeakPolarHBondContact O-CG 3.45Å; V877-L881 PolarHBondContact O-N 3.06Å; V877-F890 HydrophobicContact CB-CZ 4.5Å; V877-F890 HydrophobicContact CG1-CE1 4.38Å; V877-F890 HydrophobicContact CG1-CZ 4.26Å; V877-F890 HydrophobicContact CG2-CZ 4.27Å
878C90.4Very high83.4Confident0 Ų058.6 Ų58.60%030%0.304CS..Hα-helixtrans-64.3-38.4179.7-65.20000112.1I760 L781 F786 I811 S874 V875 V876 L881 L882I760-C878 HydrophobicContact CD1-CB 4.14Å; L781-C878 HydrophobicContact CD2-CB 4.19Å; F786-C878 HydrophobicContact CE1-CB 4.2Å; F786-C878 HydrophobicContact CE2-CB 3.97Å; F786-C878 HydrophobicContact CZ-CB 3.71Å; I811-C878 HydrophobicContact CD1-CB 3.93Å; S874-C878 WeakPolarHBondContact O-CB 3.42Å; S874-C878 PolarHBondContact O-N 2.71Å; S874-C878 PolarHBondContact O-SG 3.18Å; V875-C878 PolarHBondContact O-N 2.87Å; V876-C878 PolarHBondContact O-N 3.31Å; C878-L881 PolarHBondContact O-N 3.18Å; C878-L882 WeakPolarHBondContact O-CD1 3.39Å; C878-L882 WeakPolarHBondContact O-CG 3.34Å; C878-L882 PolarHBondContact O-N 3.25Å
879S85.3Confident83.2Confident22 Ų2263.9 Ų63.915%0.15433%0.328CS..Hα-helixtrans-64.6-46.3177.4-650000111.9R757 V875 V876 V877 L881 L882 D883R757-S879 PolarHBondContact NH1-OG 2.9Å; R757-S879 VanDerWaalsContact NH2-CB 3.3Å; R757-S879 PolarHBondContact NH2-OG 2.87Å; V875-S879 VanDerWaalsContact O-CB 3.23Å; V875-S879 WeakPolarHBondContact O-CB 3.41Å; V875-S879 PolarHBondContact O-N 3.35Å; V875-S879 PolarHBondContact O-OG 2.92Å; V876-S879 PolarHBondContact O-N 3Å; V877-S879 VanDerWaalsContact C-N 3.33Å; V877-S879 PolarHBondContact O-N 3.25Å; S879-L881 VanDerWaalsContact C-N 3.31Å; S879-L881 PolarHBondContact O-N 2.91Å; S879-L882 PolarHBondContact O-N 3.32Å; S879-D883 WeakPolarHBondContact O-CB 3.49Å; S879-D883 PolarHBondContact O-N 3.5Å
880S86.1Confident83.6Confident29 Ų2962.7 Ų62.720%0.20331%0.311CS..Hα-helixtrans-64.2-35.3177.4-640000112.4V876 V877 L882 R887V876-S880 WeakPolarHBondContact O-CB 3.22Å; V876-S880 PolarHBondContact O-N 3.44Å; V876-S880 PolarHBondContact O-OG 3.41Å; V877-S880 PolarHBondContact O-N 3.21Å; S880-L882 VanDerWaalsContact C-N 3.3Å; S880-L882 PolarHBondContact O-N 3.28Å; S880-R887 WeakPolarHBondContact O-CA 3.1Å
881L90.6Very high84.3Confident1 Ų162 Ų621%0.00531%0.307CS..Hα-helixtrans-69-25.7177.4-75.9170.1000114.1I811 P840 L842 I866 V877 C878 S879 R887 F890 L891I811-L881 HydrophobicContact CD1-CB 4.22Å; I811-L881 HydrophobicContact CD1-CD1 4.02Å; P840-L881 HydrophobicContact CB-CD1 3.77Å; P840-L881 HydrophobicContact CB-CD2 4.17Å; P840-L881 HydrophobicContact CG-CD1 4.13Å; P840-L881 HydrophobicContact CG-CD2 3.94Å; P840-L881 HydrophobicContact CG-CG 4.44Å; L842-L881 HydrophobicContact CD2-CD1 4Å; I866-L881 HydrophobicContact CD1-CD1 3.79Å; I866-L881 HydrophobicContact CD1-CD2 3.7Å; I866-L881 HydrophobicContact CD1-CG 4.09Å; V877-L881 HydrophobicContact CG1-CD1 3.89Å; V877-L881 WeakPolarHBondContact O-CB 3.37Å; V877-L881 VanDerWaalsContact O-CG 3.26Å; V877-L881 WeakPolarHBondContact O-CG 3.45Å; V877-L881 PolarHBondContact O-N 3.06Å; C878-L881 PolarHBondContact O-N 3.18Å; S879-L881 VanDerWaalsContact C-N 3.31Å; S879-L881 PolarHBondContact O-N 2.91Å; L881-R887 VanDerWaalsContact O-CD 3.32Å; L881-R887 WeakPolarHBondContact O-CD 3.35Å; L881-F890 HydrophobicContact CD2-CD1 4.24Å; L881-F890 HydrophobicContact CD2-CE1 4.18Å; L881-F890 HydrophobicContact CG-CD1 4.41Å; L881-F890 HydrophobicContact CG-CE1 4.09Å; L881-L891 HydrophobicContact CD2-CD2 3.66Å; L881-L891 HydrophobicContact CD2-CG 4.41Å
882L88.5Confident85Confident54 Ų5468.7 Ų68.728%0.28333%0.332SS..Hα-helixtrans-103.8-9.2-176.4-63.7168.5000113F786 D810 I811 C878 S879 S880 E884F786-L882 HydrophobicContact CD1-CD1 4.19Å; F786-L882 HydrophobicContact CE1-CD1 3.46Å; F786-L882 VanDerWaalsContact CE1-CD1 3.46Å; F786-L882 HydrophobicContact CZ-CD1 4.35Å; D810-L882 HydrophobicContact CB-CD2 3.7Å; I811-L882 HydrophobicContact CD1-CD1 4.14Å; I811-L882 HydrophobicContact CD1-CG 4.26Å; C878-L882 WeakPolarHBondContact O-CD1 3.39Å; C878-L882 WeakPolarHBondContact O-CG 3.34Å; C878-L882 PolarHBondContact O-N 3.25Å; S879-L882 PolarHBondContact O-N 3.32Å; S880-L882 VanDerWaalsContact C-N 3.3Å; S880-L882 PolarHBondContact O-N 3.28Å; L882-E884 PolarHBondContact O-N 3.43Å
883D85Confident85.9Confident62 Ų6271.1 Ų71.133%0.33234%0.342SS..  trans-83.1109.1173.8-175.6-13.8000111S879 K885 H886 R887S879-D883 WeakPolarHBondContact O-CB 3.49Å; S879-D883 PolarHBondContact O-N 3.5Å; D883-K885 PolarHBondContact O-N 3.2Å; D883-K885 PolarHBondContact OD1-N 2.96Å; D883-H886 PolarHBondContact O-N 2.71Å; D883-H886 IonicContact OD1-ND1 2.73Å; D883-H886 IonicContact OD2-CE1 2.75Å; D883-H886 IonicContact OD2-CG 3.74Å; D883-H886 IonicContact OD2-ND1 3.79Å; D883-H886 PolarHBondContact OD2-ND1 3.13Å; D883-R887 WeakPolarHBondContact O-CB 3.32Å; D883-R887 PolarHBondContact O-N 2.98Å
884E80.7Confident86.4Confident182 Ų18267.3 Ų67.385%0.8533%0.327SS*.THydrogen-bonded Turntrans-54.2-26.4-179.7-65.4-174.4168.900114.3L882L882-E884 PolarHBondContact O-N 3.43Å
885K78.9Confident86.6Confident181 Ų18173 Ų7379%0.78735%0.353SS*.THydrogen-bonded Turntrans-83.7-38.3-177.9-68.6-178.1-179175.90113.5D883D883-K885 PolarHBondContact O-N 3.2Å; D883-K885 PolarHBondContact OD1-N 2.96Å
886H79.3Confident87.1Confident96 Ų9676.5 Ų76.544%0.44437%0.368SS..THydrogen-bonded Turntrans-103.5-12.5-172.3-60.3101.1000112.9D883 D888 E889 F890D883-H886 PolarHBondContact O-N 2.71Å; D883-H886 IonicContact OD1-ND1 2.73Å; D883-H886 IonicContact OD2-CE1 2.75Å; D883-H886 IonicContact OD2-CG 3.74Å; D883-H886 IonicContact OD2-ND1 3.79Å; D883-H886 PolarHBondContact OD2-ND1 3.13Å; H886-D888 PolarHBondContact O-N 3.41Å; H886-E889 PolarHBondContact O-N 2.97Å; H886-F890 VanDerWaalsContact O-CB 3.3Å; H886-F890 WeakPolarHBondContact O-CB 3.37Å; H886-F890 PolarHBondContact O-N 2.98Å
887R88.3Confident87.5Confident93 Ų9374.6 Ų74.635%0.35136%0.355SS..Hα-helixtrans-56-49.7-177.5175.5-176.4178.4168.41.8112.9S880 L881 D883 F890 L891S880-R887 WeakPolarHBondContact O-CA 3.1Å; L881-R887 VanDerWaalsContact O-CD 3.32Å; L881-R887 WeakPolarHBondContact O-CD 3.35Å; D883-R887 WeakPolarHBondContact O-CB 3.32Å; D883-R887 PolarHBondContact O-N 2.98Å; R887-F890 PolarHBondContact O-N 3.4Å; R887-L891 HydrophobicContact CG-CD1 3.89Å; R887-L891 HydrophobicContact CG-CG 4.33Å; R887-L891 WeakPolarHBondContact O-CB 3.35Å; R887-L891 VanDerWaalsContact O-CG 3.28Å; R887-L891 WeakPolarHBondContact O-CG 3.47Å; R887-L891 PolarHBondContact O-N 2.89Å
888D88.3Confident87.8Confident121 Ų12174.2 Ų74.265%0.64735%0.352SS*.Hα-helixtrans-67-39.8-174-69.1-19000111.7H886 Y892H886-D888 PolarHBondContact O-N 3.41Å; D888-Y892 WeakPolarHBondContact O-CB 3.41Å; D888-Y892 PolarHBondContact O-N 3.46Å
889E87Confident87.7Confident127 Ų12777.8 Ų77.859%0.59337%0.371SS*.Hα-helixtrans-63.9-47.5173.8-175.1177.2-168.100110.9H886 L891 Y892 D893H886-E889 PolarHBondContact O-N 2.97Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.34Å; E889-Y892 WeakPolarHBondContact O-CB 3.31Å; E889-Y892 PolarHBondContact O-N 3.02Å; E889-D893 PolarHBondContact O-N 3.21Å
890F88.8Confident87.8Confident41 Ų4181.5 Ų81.518%0.1839%0.386CS..Hα-helixtrans-61.2-40178.3178.3-107.2000112.9I866 V877 L881 H886 R887 I894I866-F890 HydrophobicContact CD1-CE1 3.96Å; V877-F890 HydrophobicContact CB-CZ 4.5Å; V877-F890 HydrophobicContact CG1-CE1 4.38Å; V877-F890 HydrophobicContact CG1-CZ 4.26Å; V877-F890 HydrophobicContact CG2-CZ 4.27Å; L881-F890 HydrophobicContact CD2-CD1 4.24Å; L881-F890 HydrophobicContact CD2-CE1 4.18Å; L881-F890 HydrophobicContact CG-CD1 4.41Å; L881-F890 HydrophobicContact CG-CE1 4.09Å; H886-F890 VanDerWaalsContact O-CB 3.3Å; H886-F890 WeakPolarHBondContact O-CB 3.37Å; H886-F890 PolarHBondContact O-N 2.98Å; R887-F890 PolarHBondContact O-N 3.4Å; F890-I894 HydrophobicContact CE1-CG1 4.3Å; F890-I894 HydrophobicContact CE2-CG1 4.42Å; F890-I894 HydrophobicContact CZ-CD1 4.32Å; F890-I894 HydrophobicContact CZ-CG1 4.15Å; F890-I894 WeakPolarHBondContact O-CG1 3.36Å; F890-I894 PolarHBondContact O-N 3.4Å
891L91.4Very high87.8Confident24 Ų2481.1 Ų81.113%0.12638%0.382CS..Hα-helixtrans-68.8-40.2177.5-72.3179000111.9P864 I866 L881 R887 E889 D893 I894 E895P864-L891 HydrophobicContact CB-CD2 3.56Å; P864-L891 HydrophobicContact CG-CD1 3.95Å; P864-L891 HydrophobicContact CG-CD2 3.59Å; P864-L891 HydrophobicContact CG-CG 4.44Å; I866-L891 HydrophobicContact CD1-CD2 4.46Å; L881-L891 HydrophobicContact CD2-CD2 3.66Å; L881-L891 HydrophobicContact CD2-CG 4.41Å; R887-L891 HydrophobicContact CG-CD1 3.89Å; R887-L891 HydrophobicContact CG-CG 4.33Å; R887-L891 WeakPolarHBondContact O-CB 3.35Å; R887-L891 VanDerWaalsContact O-CG 3.28Å; R887-L891 WeakPolarHBondContact O-CG 3.47Å; R887-L891 PolarHBondContact O-N 2.89Å; E889-L891 VanDerWaalsContact C-N 3.34Å; E889-L891 PolarHBondContact O-N 3.34Å; L891-D893 VanDerWaalsContact C-N 3.34Å; L891-D893 PolarHBondContact O-N 3.03Å; L891-I894 PolarHBondContact O-N 3.37Å; L891-E895 WeakPolarHBondContact O-CG 3.45Å; L891-E895 PolarHBondContact O-N 2.9Å
892Y89.5Confident87.5Confident145 Ų14584 Ų8457%0.56939%0.393SS*.Hα-helixtrans-59.1-45.2174.6-178.6-90.9000111.5D888 E889 I894 E895 E896D888-Y892 WeakPolarHBondContact O-CB 3.41Å; D888-Y892 PolarHBondContact O-N 3.46Å; E889-Y892 WeakPolarHBondContact O-CB 3.31Å; E889-Y892 PolarHBondContact O-N 3.02Å; Y892-I894 VanDerWaalsContact C-N 3.3Å; Y892-I894 PolarHBondContact O-N 2.81Å; Y892-E895 PolarHBondContact O-N 3.17Å; Y892-E896 PolarHBondContact O-N 3.36Å
893D88.8Confident87.2Confident86 Ų8687.7 Ų87.746%0.4641%0.409SS..Hα-helixtrans-60.5-38.6177-72.2-10.2000112.4E889 L891 L897E889-D893 PolarHBondContact O-N 3.21Å; L891-D893 VanDerWaalsContact C-N 3.34Å; L891-D893 PolarHBondContact O-N 3.03Å; D893-L897 WeakPolarHBondContact O-CB 3.31Å; D893-L897 PolarHBondContact O-N 2.95Å
894I91.3Very high86.8Confident29 Ų2988.2 Ų88.215%0.14941%0.41CS..Hα-helixtrans-70-42.2176.9-66.8-64.6000111.5I866 F890 L891 Y892 L897 Y898I866-I894 HydrophobicContact CG1-CG1 4.43Å; I866-I894 HydrophobicContact CG1-CG2 4.06Å; F890-I894 HydrophobicContact CE1-CG1 4.3Å; F890-I894 HydrophobicContact CE2-CG1 4.42Å; F890-I894 HydrophobicContact CZ-CD1 4.32Å; F890-I894 HydrophobicContact CZ-CG1 4.15Å; F890-I894 WeakPolarHBondContact O-CG1 3.36Å; F890-I894 PolarHBondContact O-N 3.4Å; L891-I894 PolarHBondContact O-N 3.37Å; Y892-I894 VanDerWaalsContact C-N 3.3Å; Y892-I894 PolarHBondContact O-N 2.81Å; I894-L897 PolarHBondContact O-N 3.45Å; I894-Y898 HydrophobicContact CG2-CD1 4.34Å; I894-Y898 HydrophobicContact CG2-CD2 4.44Å; I894-Y898 HydrophobicContact CG2-CE1 4.23Å; I894-Y898 HydrophobicContact CG2-CE2 4.38Å; I894-Y898 HydrophobicContact CG2-CG 4.45Å; I894-Y898 WeakPolarHBondContact O-CB 3.4Å; I894-Y898 WeakPolarHBondContact O-CD1 3.44Å; I894-Y898 PolarHBondContact O-N 2.94Å
895E90.3Very high86.5Confident121 Ų12182.5 Ų82.557%0.56538%0.38SS*.Hα-helixtrans-62.1-48.8177.9-77.7-179.2-176.500111.1L891 Y892 L897 Y898 D899L891-E895 WeakPolarHBondContact O-CG 3.45Å; L891-E895 PolarHBondContact O-N 2.9Å; Y892-E895 PolarHBondContact O-N 3.17Å; E895-L897 VanDerWaalsContact C-N 3.32Å; E895-L897 PolarHBondContact O-N 3.04Å; E895-Y898 PolarHBondContact O-N 3.43Å; E895-Y898 VanDerWaalsContact O-N 3.09Å; E895-D899 PolarHBondContact O-N 3.4Å
896E91.2Very high86.3Confident90 Ų9077.7 Ų77.742%0.42136%0.358SS..Hα-helixtrans-58.5-45.5176.2-175.5175.9-168.100111Y892 Y898 D899 Q900Y892-E896 PolarHBondContact O-N 3.36Å; E896-Y898 VanDerWaalsContact C-N 3.3Å; E896-Y898 PolarHBondContact O-N 2.67Å; E896-D899 PolarHBondContact O-N 2.95Å; E896-Q900 VanDerWaalsContact O-CG 3.29Å; E896-Q900 WeakPolarHBondContact O-CG 3.37Å; E896-Q900 PolarHBondContact O-N 2.88Å
897L90.3Very high86Confident46 Ų4679.2 Ų79.224%0.24137%0.365CS..Hα-helixtrans-60-39.4175.8178.164.2000112.3D893 I894 E895 V901D893-L897 WeakPolarHBondContact O-CB 3.31Å; D893-L897 PolarHBondContact O-N 2.95Å; I894-L897 PolarHBondContact O-N 3.45Å; E895-L897 VanDerWaalsContact C-N 3.32Å; E895-L897 PolarHBondContact O-N 3.04Å; L897-V901 HydrophobicContact CD1-CG2 4.4Å; L897-V901 WeakPolarHBondContact O-CB 3.45Å; L897-V901 WeakPolarHBondContact O-CG2 3.31Å; L897-V901 PolarHBondContact O-N 2.93Å
898Y93.5Very high85.1Confident8 Ų876.6 Ų76.63%0.03136%0.358CS..Hα-helixtrans-77.4-33.5-177.2-83.220000112.6R850 A853 A854 A858 V865 H867 I894 E895 E896 R902R850-Y898 HydrophobicContact CG-CD1 4.45Å; R850-Y898 HydrophobicContact CG-CE1 3.8Å; A853-Y898 HydrophobicContact CB-CE2 4.43Å; A854-Y898 HydrophobicContact CB-CD1 3.91Å; A854-Y898 HydrophobicContact CB-CD2 3.81Å; A854-Y898 HydrophobicContact CB-CE1 4.38Å; A854-Y898 HydrophobicContact CB-CE2 4.26Å; A854-Y898 HydrophobicContact CB-CG 3.6Å; A858-Y898 HydrophobicContact CB-CD2 3.86Å; A858-Y898 HydrophobicContact CB-CE2 4.14Å; V865-Y898 WeakPolarHBondContact O-CE2 3.31Å; H867-Y898 WeakPolarHBondContact CB-OH 3.48Å; H867-Y898 PolarHBondContact N-OH 3.19Å; I894-Y898 HydrophobicContact CG2-CD1 4.34Å; I894-Y898 HydrophobicContact CG2-CD2 4.44Å; I894-Y898 HydrophobicContact CG2-CE1 4.23Å; I894-Y898 HydrophobicContact CG2-CE2 4.38Å; I894-Y898 HydrophobicContact CG2-CG 4.45Å; I894-Y898 WeakPolarHBondContact O-CB 3.4Å; I894-Y898 WeakPolarHBondContact O-CD1 3.44Å; I894-Y898 PolarHBondContact O-N 2.94Å; E895-Y898 PolarHBondContact O-N 3.43Å; E895-Y898 VanDerWaalsContact O-N 3.09Å; E896-Y898 VanDerWaalsContact C-N 3.3Å; E896-Y898 PolarHBondContact O-N 2.67Å; Y898-R902 WeakPolarHBondContact O-CB 3.27Å; Y898-R902 WeakPolarHBondContact O-CG 3.22Å; Y898-R902 PolarHBondContact O-N 3.32Å
899D89.5Confident84Confident75 Ų7572.5 Ų72.540%0.40134%0.336SS..Hα-helixtrans-62.7-48171.7-75.4-5.2000110.1E895 E896 V901 R902 E903E895-D899 PolarHBondContact O-N 3.4Å; E896-D899 PolarHBondContact O-N 2.95Å; D899-V901 PolarHBondContact O-N 2.92Å; D899-R902 PolarHBondContact O-N 2.8Å; D899-R902 VanDerWaalsContact O-N 3.17Å; D899-R902 IonicContact OD1-CZ 3.71Å; D899-R902 IonicContact OD1-NH1 3.82Å; D899-R902 PolarHBondContact OD1-NH1 3.39Å; D899-R902 IonicContact OD1-NH2 3.84Å; D899-R902 PolarHBondContact OD1-NH2 3.02Å; D899-E903 WeakPolarHBondContact O-CG 3.19Å; D899-E903 PolarHBondContact O-N 2.94Å
900Q87.4Confident82.8Confident101 Ų10173.8 Ų73.847%0.47235%0.346SS..Hα-helixtrans-57.1-50.2174.4-71.6174.312.300112.1E896 R902 E903 E904E896-Q900 VanDerWaalsContact O-CG 3.29Å; E896-Q900 WeakPolarHBondContact O-CG 3.37Å; E896-Q900 PolarHBondContact O-N 2.88Å; Q900-R902 VanDerWaalsContact C-N 3.26Å; Q900-R902 PolarHBondContact O-N 3.32Å; Q900-E903 PolarHBondContact O-N 2.93Å; Q900-E904 VanDerWaalsContact O-CB 3.23Å; Q900-E904 WeakPolarHBondContact O-CB 3.49Å; Q900-E904 PolarHBondContact O-N 2.95Å
901V85.1Confident81.7Confident20 Ų2076.6 Ų76.612%0.12136%0.36CS..Hα-helixtrans-61.6-34.5179.2168.70000111.9A851 A854 L897 D899 Y905A851-V901 HydrophobicContact CB-CG1 4.12Å; A854-V901 HydrophobicContact CB-CB 4.21Å; A854-V901 HydrophobicContact CB-CG1 3.84Å; L897-V901 HydrophobicContact CD1-CG2 4.4Å; L897-V901 WeakPolarHBondContact O-CB 3.45Å; L897-V901 WeakPolarHBondContact O-CG2 3.31Å; L897-V901 PolarHBondContact O-N 2.93Å; D899-V901 PolarHBondContact O-N 2.92Å; V901-Y905 VanDerWaalsContact O-CB 3.23Å; V901-Y905 WeakPolarHBondContact O-CB 3.42Å; V901-Y905 PolarHBondContact O-N 3.45Å
902R84.5Confident80.7Confident61 Ų6179.6 Ų79.623%0.2337%0.37CS..Hα-helixtrans-69.6-49.3176.4-83.2-172.9-107.2112.94.4111.5A854 V855 Y898 D899 Q900 E904 Y905 Y906A854-R902 HydrophobicContact CB-CG 4.35Å; A854-R902 WeakPolarHBondContact O-CD 3.48Å; A854-R902 WeakPolarHBondContact O-CG 3.49Å; A854-R902 PolarHBondContact O-NE 3.37Å; V855-R902 HydrophobicContact CB-CG 4.49Å; V855-R902 HydrophobicContact CG2-CG 3.9Å; Y898-R902 WeakPolarHBondContact O-CB 3.27Å; Y898-R902 WeakPolarHBondContact O-CG 3.22Å; Y898-R902 PolarHBondContact O-N 3.32Å; D899-R902 PolarHBondContact O-N 2.8Å; D899-R902 VanDerWaalsContact O-N 3.17Å; D899-R902 IonicContact OD1-CZ 3.71Å; D899-R902 IonicContact OD1-NH1 3.82Å; D899-R902 PolarHBondContact OD1-NH1 3.39Å; D899-R902 IonicContact OD1-NH2 3.84Å; D899-R902 PolarHBondContact OD1-NH2 3.02Å; Q900-R902 VanDerWaalsContact C-N 3.26Å; Q900-R902 PolarHBondContact O-N 3.32Å; R902-E904 VanDerWaalsContact C-N 3.31Å; R902-E904 PolarHBondContact O-N 2.97Å; R902-Y905 PolarHBondContact O-N 3Å; R902-Y906 HydrophobicContact CB-CD2 4.42Å; R902-Y906 HydrophobicContact CB-CE2 4.22Å; R902-Y906 WeakPolarHBondContact O-CD2 3.38Å; R902-Y906 PolarHBondContact O-N 3.43Å
903E81.4Confident80.3Confident133 Ų13381.7 Ų81.762%0.62138%0.377SS*.Hα-helixtrans-55.2-50.7176.3-72.5-178.2169.200110.3D899 Q900 Y905 Y906 E907D899-E903 WeakPolarHBondContact O-CG 3.19Å; D899-E903 PolarHBondContact O-N 2.94Å; Q900-E903 PolarHBondContact O-N 2.93Å; E903-Y905 PolarHBondContact O-N 3.48Å; E903-Y906 PolarHBondContact O-N 3.01Å; E903-E907 WeakPolarHBondContact O-CB 3.12Å; E903-E907 WeakPolarHBondContact O-CG 3.3Å; E903-E907 PolarHBondContact O-N 3.37Å
904E77.3Confident80.2Confident73 Ų7379.7 Ų79.734%0.34136%0.364SS..Hα-helixtrans-56.5-45.9178.2-167.1-169.5157.800112.7R254 Q900 R902 N908R254-E904 VanDerWaalsContact CD-OE1 3.27Å; R254-E904 WeakPolarHBondContact CD-OE1 3.27Å; R254-E904 IonicContact CZ-OE1 2.72Å; R254-E904 IonicContact NE-OE1 3.87Å; R254-E904 IonicContact NH1-OE1 3.26Å; R254-E904 PolarHBondContact NH1-OE1 3.44Å; Q900-E904 VanDerWaalsContact O-CB 3.23Å; Q900-E904 WeakPolarHBondContact O-CB 3.49Å; Q900-E904 PolarHBondContact O-N 2.95Å; R902-E904 VanDerWaalsContact C-N 3.31Å; R902-E904 PolarHBondContact O-N 2.97Å; E904-N908 WeakPolarHBondContact O-CB 3.17Å; E904-N908 PolarHBondContact O-N 3.28Å; E904-N908 PolarHBondContact O-ND2 2.88Å
905Y74.8Confident80.1Confident61 Ų6179.2 Ų79.224%0.23936%0.363CS..Hα-helixtrans-63.7-43.6178.6179.2-94000112.2V855 V901 R902 E903 L909V855-Y905 HydrophobicContact CB-CD1 4.42Å; V855-Y905 HydrophobicContact CG1-CD1 3.79Å; V855-Y905 HydrophobicContact CG1-CE1 3.75Å; V855-Y905 HydrophobicContact CG2-CD1 3.77Å; V855-Y905 HydrophobicContact CG2-CD2 4.4Å; V855-Y905 HydrophobicContact CG2-CE1 4.4Å; V855-Y905 HydrophobicContact CG2-CG 3.76Å; V901-Y905 VanDerWaalsContact O-CB 3.23Å; V901-Y905 WeakPolarHBondContact O-CB 3.42Å; V901-Y905 PolarHBondContact O-N 3.45Å; R902-Y905 PolarHBondContact O-N 3Å; E903-Y905 PolarHBondContact O-N 3.48Å; Y905-L909 HydrophobicContact CD1-CD1 3.85Å; Y905-L909 HydrophobicContact CD1-CG 4.46Å; Y905-L909 HydrophobicContact CE1-CD1 3.35Å; Y905-L909 HydrophobicContact CE1-CG 4.12Å; Y905-L909 WeakPolarHBondContact O-CG 3.34Å; Y905-L909 PolarHBondContact O-N 2.95Å; Y905-L909 VanDerWaalsContact O-N 3.12Å
906Y74.2Confident80Confident81 Ų8176.9 Ų76.932%0.31836%0.358SS..Hα-helixtrans-72.7-34.6-179.9-69.4-57.1000112.6R902 E903 L909 L910 K1266R902-Y906 HydrophobicContact CB-CD2 4.42Å; R902-Y906 HydrophobicContact CB-CE2 4.22Å; R902-Y906 WeakPolarHBondContact O-CD2 3.38Å; R902-Y906 PolarHBondContact O-N 3.43Å; E903-Y906 PolarHBondContact O-N 3.01Å; Y906-L909 HydrophobicContact CD1-CD1 4.23Å; Y906-L909 PolarHBondContact O-N 3.39Å; Y906-L910 PolarHBondContact O-N 3.23Å; Y906-K1266 PolarHBondContact OH-NZ 3.06Å
907E73Confident80Confident128 Ų12873 Ų7360%0.59834%0.34SS*.Hα-helixtrans-63.4-48.8172.1-74.9-173.3163.800111.2E903 L909 L910 E911E903-E907 WeakPolarHBondContact O-CB 3.12Å; E903-E907 WeakPolarHBondContact O-CG 3.3Å; E903-E907 PolarHBondContact O-N 3.37Å; E907-L909 VanDerWaalsContact C-N 3.26Å; E907-L909 PolarHBondContact O-N 3.4Å; E907-L910 WeakPolarHBondContact O-CB 3.22Å; E907-L910 PolarHBondContact O-N 3.4Å; E907-E911 PolarHBondContact O-N 3.03Å
908N68.9Low80Confident38 Ų3878.7 Ų78.720%0.20336%0.358CS..Hα-helixtrans-61.7-32.5178.4-69.2-20.1000112.3R254 E904 L910 E911 Y912R254-N908 PolarHBondContact NH1-ND2 2.93Å; R254-N908 PolarHBondContact NH1-OD1 3.26Å; R254-N908 PolarHBondContact NH2-OD1 3.49Å; E904-N908 WeakPolarHBondContact O-CB 3.17Å; E904-N908 PolarHBondContact O-N 3.28Å; E904-N908 PolarHBondContact O-ND2 2.88Å; N908-L910 VanDerWaalsContact C-N 3.29Å; N908-L910 PolarHBondContact O-N 2.86Å; N908-E911 PolarHBondContact O-N 3.2Å; N908-Y912 WeakPolarHBondContact O-CD2 3.42Å; N908-Y912 WeakPolarHBondContact O-CE2 3.33Å
909L66.1Low79.8Confident34 Ų3480.7 Ų80.718%0.17837%0.371CS..Hα-helixtrans-63.6-32.8175.4-82.8174.9000113.1Y905 Y906 E907 E911 Y912Y905-L909 HydrophobicContact CD1-CD1 3.85Å; Y905-L909 HydrophobicContact CD1-CG 4.46Å; Y905-L909 HydrophobicContact CE1-CD1 3.35Å; Y905-L909 HydrophobicContact CE1-CG 4.12Å; Y905-L909 WeakPolarHBondContact O-CG 3.34Å; Y905-L909 PolarHBondContact O-N 2.95Å; Y905-L909 VanDerWaalsContact O-N 3.12Å; Y906-L909 HydrophobicContact CD1-CD1 4.23Å; Y906-L909 PolarHBondContact O-N 3.39Å; E907-L909 VanDerWaalsContact C-N 3.26Å; E907-L909 PolarHBondContact O-N 3.4Å; L909-E911 VanDerWaalsContact C-N 3.33Å; L909-Y912 HydrophobicContact CD2-CD2 4.12Å; L909-Y912 HydrophobicContact CD2-CE2 4.17Å
910L61.9Low79.9Confident155 Ų15577.1 Ų77.181%0.81235%0.352SS*.Hα-helixtrans-75.9-22.3178.5-66.4169.6000112.6Y906 E907 N908Y906-L910 PolarHBondContact O-N 3.23Å; E907-L910 WeakPolarHBondContact O-CB 3.22Å; E907-L910 PolarHBondContact O-N 3.4Å; N908-L910 VanDerWaalsContact C-N 3.29Å; N908-L910 PolarHBondContact O-N 2.86Å
911E64.8Low80.2Confident99 Ų9974.8 Ų74.846%0.46334%0.339SS..Hα-helixtrans-79.4-24.2178.3-66.7-164.4151.100113.2E907 N908 L909 R913E907-E911 PolarHBondContact O-N 3.03Å; N908-E911 PolarHBondContact O-N 3.2Å; L909-E911 VanDerWaalsContact C-N 3.33Å; E911-R913 PolarHBondContact O-N 3.01Å
912Y71.1Confident80.5Confident88 Ų8879.4 Ų79.435%0.34536%0.36SS..  trans-64111.2179.5-65.7-50.9000111.1N908 L909 F914 M1052 K1215N908-Y912 WeakPolarHBondContact O-CD2 3.42Å; N908-Y912 WeakPolarHBondContact O-CE2 3.33Å; L909-Y912 HydrophobicContact CD2-CD2 4.12Å; L909-Y912 HydrophobicContact CD2-CE2 4.17Å; Y912-F914 VanDerWaalsContact CB-CZ 3.44Å; Y912-F914 HydrophobicContact CG-CZ 4.23Å; Y912-F914 WeakPolarHBondContact O-CE2 3.34Å; Y912-M1052 HydrophobicContact CD1-CE 3.45Å; Y912-M1052 VanDerWaalsContact CD1-CE 3.45Å; Y912-M1052 HydrophobicContact CD1-SD 4.26Å; Y912-M1052 HydrophobicContact CE1-CE 3.5Å; Y912-M1052 VanDerWaalsContact CE1-CE 3.5Å; Y912-M1052 HydrophobicContact CE1-SD 4.35Å; Y912-K1215 HydrophobicContact CD2-CG 4.26Å; Y912-K1215 HydrophobicContact CE2-CG 4.04Å
913R81.6Confident81Confident189 Ų18980.1 Ų80.171%0.71337%0.368SS*.  trans-91.6129169.4-64.5-175.3-179.7171.62.9108.8E911 V1053E911-R913 PolarHBondContact O-N 3.01Å; R913-V1053 HydrophobicContact CB-CB 4.17Å; R913-V1053 HydrophobicContact CB-CG2 3.77Å; R913-V1053 WeakPolarHBondContact O-CG2 3.35Å; R913-V1053 PolarHBondContact O-N 3.33Å
914F85.5Confident81.5Confident43 Ų4375.2 Ų75.219%0.18935%0.35CS..BIsolated β-bridgetrans-108.7140.5177.5-56.7-81.5000110.1Y912 Q1051 M1052 K1215 D1217Y912-F914 VanDerWaalsContact CB-CZ 3.44Å; Y912-F914 HydrophobicContact CG-CZ 4.23Å; Y912-F914 WeakPolarHBondContact O-CE2 3.34Å; F914-Q1051 CarbonylContact C-O 3.47Å; F914-Q1051 VanDerWaalsContact CA-O 3.25Å; F914-Q1051 WeakPolarHBondContact CA-O 3.39Å; F914-Q1051 HydrophobicContact CD1-CB 4.13Å; F914-M1052 HydrophobicContact CD1-CG 4.22Å; F914-M1052 HydrophobicContact CE1-CG 3.83Å; F914-K1215 HydrophobicContact CE1-CB 3.82Å; F914-K1215 WeakPolarHBondContact CE1-O 3.48Å; F914-K1215 HydrophobicContact CZ-CB 3.98Å; F914-D1217 HydrophobicContact CB-CB 3.87Å; F914-D1217 HydrophobicContact CD1-CB 4.16Å; F914-D1217 HydrophobicContact CD2-CB 4.1Å; F914-D1217 HydrophobicContact CG-CB 3.77Å
915V89.3Confident82.3Confident19 Ų1973.8 Ų73.812%0.11535%0.345CS..  trans-80.6144.7161.5-63.40000109L917 V919 A920 Q1051 V1053 Y1061V915-L917 PolarHBondContact O-N 2.87Å; V915-V919 HydrophobicContact CB-CB 4.21Å; V915-V919 HydrophobicContact CB-CG1 4.12Å; V915-V919 HydrophobicContact CG1-CG1 4.37Å; V915-A920 HydrophobicContact CG2-CB 3.85Å; V915-Q1051 PolarHBondContact N-O 3.47Å; V915-Q1051 PolarHBondContact O-NE2 2.97Å; V915-V1053 HydrophobicContact CG1-CG2 3.78Å; V915-Y1061 HydrophobicContact CG1-CE1 4.46Å; V915-Y1061 WeakPolarHBondContact CG1-OH 3.33Å; V915-Y1061 HydrophobicContact CG2-CD1 4.17Å; V915-Y1061 HydrophobicContact CG2-CE1 3.64Å; V915-Y1061 HydrophobicContact CG2-CE2 4.28Å
916P89.7Confident83Confident73 Ų7379 Ų7947%0.47437%0.371SS..  trans-54.6143.3170.3-23.733.1000110.6R918 V919 A920 D1219P916-R918 PolarHBondContact O-N 3.15Å; P916-V919 HydrophobicContact CB-CG2 4.29Å; P916-V919 HydrophobicContact CG-CG2 4.26Å; P916-V919 WeakPolarHBondContact O-CA 3.5Å; P916-V919 WeakPolarHBondContact O-CB 3.32Å; P916-V919 PolarHBondContact O-N 2.99Å; P916-A920 PolarHBondContact O-N 3.12Å; P916-D1219 WeakPolarHBondContact CA-OD2 3.5Å
917L90Very high83.6Confident7 Ų775.4 Ų75.44%0.03736%0.357CS..Hα-helixtrans-50.7-38.5-178.5178.263.9000112.4V915 V919 A920 R921 D1219 Q1220V915-L917 PolarHBondContact O-N 2.87Å; L917-V919 VanDerWaalsContact C-N 3.34Å; L917-V919 PolarHBondContact O-N 3.18Å; L917-A920 WeakPolarHBondContact O-CB 3.42Å; L917-A920 PolarHBondContact O-N 3.39Å; L917-R921 HydrophobicContact CD1-CG 4.46Å; L917-R921 WeakPolarHBondContact O-CG 3.47Å; L917-R921 PolarHBondContact O-N 3.21Å; L917-D1219 WeakPolarHBondContact CB-OD2 3.45Å; L917-D1219 PolarHBondContact N-OD2 3.09Å; L917-Q1220 HydrophobicContact CD1-CB 4.16Å; L917-Q1220 HydrophobicContact CD1-CG 4.07Å; L917-Q1220 HydrophobicContact CD2-CB 4.28Å; L917-Q1220 HydrophobicContact CD2-CG 4.47Å
918R89.8Confident84.3Confident166 Ų16673.1 Ų73.163%0.62635%0.349SS*.Hα-helixtrans-57.2-45.7174.8179-178.9166.2-177.2-2.6112.2P916 R921 E922P916-R918 PolarHBondContact O-N 3.15Å; R918-R921 PolarHBondContact O-N 3.38Å; R918-E922 IonicContact CZ-OE1 3.88Å; R918-E922 IonicContact NE-OE1 3.45Å; R918-E922 PolarHBondContact NE-OE1 2.89Å; R918-E922 IonicContact NH2-OE1 2.68Å; R918-E922 PolarHBondContact NH2-OE1 3.03Å; R918-E922 WeakPolarHBondContact O-CG 3.4Å; R918-E922 PolarHBondContact O-N 3.05Å
919V90.2Very high85.1Confident50 Ų5072.7 Ų72.730%0.30335%0.345SS..Hα-helixtrans-69.2-36.7179.5177.10000110.8V915 P916 L917 E922 N923V915-V919 HydrophobicContact CB-CB 4.21Å; V915-V919 HydrophobicContact CB-CG1 4.12Å; V915-V919 HydrophobicContact CG1-CG1 4.37Å; P916-V919 HydrophobicContact CB-CG2 4.29Å; P916-V919 HydrophobicContact CG-CG2 4.26Å; P916-V919 WeakPolarHBondContact O-CA 3.5Å; P916-V919 WeakPolarHBondContact O-CB 3.32Å; P916-V919 PolarHBondContact O-N 2.99Å; L917-V919 VanDerWaalsContact C-N 3.34Å; L917-V919 PolarHBondContact O-N 3.18Å; V919-E922 PolarHBondContact O-N 3.29Å; V919-N923 PolarHBondContact O-N 2.91Å; V919-N923 VanDerWaalsContact O-N 3.12Å; V919-N923 PolarHBondContact O-ND2 2.68Å
920A92.5Very high85.7Confident0 Ų075.5 Ų75.50%037%0.367CS..Hα-helixtrans-61-44.7172.800000111.5V915 P916 L917 N923 A924 R1049 Q1051 Y1061V915-A920 HydrophobicContact CG2-CB 3.85Å; P916-A920 PolarHBondContact O-N 3.12Å; L917-A920 WeakPolarHBondContact O-CB 3.42Å; L917-A920 PolarHBondContact O-N 3.39Å; A920-N923 CarbonylContact O-C 3.51Å; A920-N923 VanDerWaalsContact O-C 3.3Å; A920-N923 PolarHBondContact O-N 3.26Å; A920-A924 PolarHBondContact O-N 3.43Å; A920-R1049 HydrophobicContact CB-CG 4.28Å; A920-Q1051 HydrophobicContact CB-CG 4.46Å; A920-Y1061 HydrophobicContact CB-CD1 4.45Å; A920-Y1061 HydrophobicContact CB-CG 4.14Å
921R93.2Very high86.3Confident53 Ų5373 Ų7320%0.236%0.362CS..Hα-helixtrans-65.5-39.7176.4-72.7176.8177.7166.5-0.5112.9L917 R918 N923 A924 D1026L917-R921 HydrophobicContact CD1-CG 4.46Å; L917-R921 WeakPolarHBondContact O-CG 3.47Å; L917-R921 PolarHBondContact O-N 3.21Å; R918-R921 PolarHBondContact O-N 3.38Å; R921-N923 PolarHBondContact O-N 3.23Å; R921-A924 WeakPolarHBondContact O-CB 3.44Å; R921-A924 PolarHBondContact O-N 2.88Å; R921-D1026 IonicContact CZ-OD2 3.69Å; R921-D1026 IonicContact NE-OD1 3.78Å; R921-D1026 IonicContact NE-OD2 2.66Å; R921-D1026 PolarHBondContact NE-OD2 3.34Å; R921-D1026 IonicContact NH2-OD2 3.46Å; R921-D1026 PolarHBondContact NH2-OD2 3.03Å
922E91.8Very high86.6Confident117 Ų11770.1 Ų70.155%0.54735%0.351SS..Hα-helixtrans-63.7-27.8175.6-75.5171.7-175.700112.3R918 V919R918-E922 IonicContact CZ-OE1 3.88Å; R918-E922 IonicContact NE-OE1 3.45Å; R918-E922 PolarHBondContact NE-OE1 2.89Å; R918-E922 IonicContact NH2-OE1 2.68Å; R918-E922 PolarHBondContact NH2-OE1 3.03Å; R918-E922 WeakPolarHBondContact O-CG 3.4Å; R918-E922 PolarHBondContact O-N 3.05Å; V919-E922 PolarHBondContact O-N 3.29Å
923N93.2Very high86.8Confident75 Ų7571.6 Ų71.640%0.40137%0.374SS..THydrogen-bonded Turntrans-108.936.3177.4-61.6-72.3000112.1V919 A920 R921 P1060 Y1061V919-N923 PolarHBondContact O-N 2.91Å; V919-N923 VanDerWaalsContact O-N 3.12Å; V919-N923 PolarHBondContact O-ND2 2.68Å; A920-N923 CarbonylContact O-C 3.51Å; A920-N923 VanDerWaalsContact O-C 3.3Å; A920-N923 PolarHBondContact O-N 3.26Å; R921-N923 PolarHBondContact O-N 3.23Å; N923-P1060 CarbonylContact O-C 3.4Å; N923-P1060 VanDerWaalsContact O-CA 3.28Å; N923-P1060 WeakPolarHBondContact O-CA 3.5Å; N923-Y1061 HydrophobicContact CB-CD2 3.79Å; N923-Y1061 HydrophobicContact CB-CE2 4.11Å; N923-Y1061 PolarHBondContact O-N 3.11Å
924A93.5Very high86.9Confident30 Ų3064.2 Ų64.225%0.24835%0.349CS..SBendtrans-68.7167.1172.400000112.1A920 R921 H926 R1049A920-A924 PolarHBondContact O-N 3.43Å; R921-A924 WeakPolarHBondContact O-CB 3.44Å; R921-A924 PolarHBondContact O-N 2.88Å; A924-H926 PolarHBondContact O-N 3.39Å; A924-R1049 VanDerWaalsContact CB-NH1 3.33Å
925L93.5Very high86.9Confident44 Ų4464.3 Ų64.323%0.2336%0.357CS..  trans-65.5120.3172174.369000109.4V927 P1060 L1062 D1066 F1067L925-V927 HydrophobicContact CD2-CG2 4.27Å; L925-V927 HydrophobicContact CG-CG2 4.22Å; L925-P1060 HydrophobicContact CB-CB 3.99Å; L925-P1060 HydrophobicContact CB-CG 4.14Å; L925-P1060 HydrophobicContact CD1-CG 4.04Å; L925-L1062 HydrophobicContact CB-CD2 3.79Å; L925-L1062 HydrophobicContact CD2-CD2 4.19Å; L925-L1062 HydrophobicContact CG-CD2 4.5Å; L925-D1066 HydrophobicContact CB-CB 4.1Å; L925-F1067 HydrophobicContact CD2-CD1 4.11Å; L925-F1067 HydrophobicContact CD2-CE1 3.73Å
926H88.9Confident86.9Confident169 Ų16969.5 Ų69.578%0.78238%0.378SS*.  trans-98.1108.5177.9-166.862.2000110.9A924A924-H926 PolarHBondContact O-N 3.39Å
927V87.7Confident87.1Confident6 Ų666.4 Ų66.44%0.03636%0.358CS..  trans-94.3128.5173.4-173.70000108.8L925 W929 Q1207L925-V927 HydrophobicContact CD2-CG2 4.27Å; L925-V927 HydrophobicContact CG-CG2 4.22Å; V927-W929 HydrophobicContact CB-CD2 4.22Å; V927-W929 HydrophobicContact CB-CH2 4.34Å; V927-W929 HydrophobicContact CB-CZ2 3.75Å; V927-W929 HydrophobicContact CG1-CD2 4.07Å; V927-W929 HydrophobicContact CG1-CE3 4.16Å; V927-W929 HydrophobicContact CG1-CH2 4.17Å; V927-W929 HydrophobicContact CG1-CZ2 4.05Å; V927-W929 HydrophobicContact CG1-CZ3 4.2Å; V927-W929 HydrophobicContact CG2-CZ2 4.04Å; V927-W929 PolarHBondContact O-N 3.45Å; V927-W929 PolarHBondContact O-NE1 3.15Å; V927-Q1207 VanDerWaalsContact CG2-OE1 3.3Å
928D87.1Confident87.4Confident81 Ų8170.9 Ų70.943%0.43338%0.382SS..  trans-76.788173.5-177.94.9000110.6S930 C931 T932D928-S930 PolarHBondContact O-N 3.01Å; D928-S930 VanDerWaalsContact O-N 3.15Å; D928-S930 WeakPolarHBondContact OD1-CB 3.36Å; D928-S930 PolarHBondContact OD1-N 3.18Å; D928-S930 PolarHBondContact OD1-OG 3.24Å; D928-S930 PolarHBondContact OD2-OG 2.99Å; D928-C931 PolarHBondContact O-N 3.48Å; D928-C931 PolarHBondContact OD2-SG 3.31Å; D928-T932 PolarHBondContact O-N 2.93Å; D928-T932 PolarHBondContact O-OG1 3.07Å
929W86.3Confident87.6Confident28 Ų2865.8 Ų65.811%0.10637%0.365CS..THydrogen-bonded Turntrans-66.1-10.5178.7-56.7105.1000114V927 T932 L934 P1070 V1075 N1205V927-W929 HydrophobicContact CB-CD2 4.22Å; V927-W929 HydrophobicContact CB-CH2 4.34Å; V927-W929 HydrophobicContact CB-CZ2 3.75Å; V927-W929 HydrophobicContact CG1-CD2 4.07Å; V927-W929 HydrophobicContact CG1-CE3 4.16Å; V927-W929 HydrophobicContact CG1-CH2 4.17Å; V927-W929 HydrophobicContact CG1-CZ2 4.05Å; V927-W929 HydrophobicContact CG1-CZ3 4.2Å; V927-W929 HydrophobicContact CG2-CZ2 4.04Å; V927-W929 PolarHBondContact O-N 3.45Å; V927-W929 PolarHBondContact O-NE1 3.15Å; W929-T932 HydrophobicContact CE3-CG2 4.47Å; W929-L934 HydrophobicContact CE3-CD1 4.17Å; W929-L934 HydrophobicContact CZ3-CD1 3.77Å; W929-L934 HydrophobicContact CZ3-CD2 4.3Å; W929-L934 HydrophobicContact CZ3-CG 4.41Å; W929-P1070 VanDerWaalsContact CD1-CD 3.49Å; W929-V1075 VanDerWaalsContact O-CG2 3.29Å; W929-V1075 WeakPolarHBondContact O-CG2 3.43Å; W929-N1205 WeakPolarHBondContact CH2-ND2 3.47Å
930S78.9Confident87.7Confident93 Ų9366 Ų6665%0.6537%0.366SS*.THydrogen-bonded Turntrans-78.5-27.2175.775.60000112.9D928D928-S930 PolarHBondContact O-N 3.01Å; D928-S930 VanDerWaalsContact O-N 3.15Å; D928-S930 WeakPolarHBondContact OD1-CB 3.36Å; D928-S930 PolarHBondContact OD1-N 3.18Å; D928-S930 PolarHBondContact OD1-OG 3.24Å; D928-S930 PolarHBondContact OD2-OG 2.99Å
931C73Confident87.8Confident104 Ų10467 Ų6770%0.70338%0.377SS*.THydrogen-bonded Turntrans-105-6.2178.5-61.60000113.3D928D928-C931 PolarHBondContact O-N 3.48Å; D928-C931 PolarHBondContact OD2-SG 3.31Å
932T72.5Confident88Confident38 Ų3868 Ų6823%0.23339%0.385CS..  trans-85.3119.1-175.9-57.60000111.2D928 W929 L934D928-T932 PolarHBondContact O-N 2.93Å; D928-T932 PolarHBondContact O-OG1 3.07Å; W929-T932 HydrophobicContact CE3-CG2 4.47Å; T932-L934 HydrophobicContact CG2-CD2 3.71Å; T932-L934 HydrophobicContact CG2-CG 4.03Å; T932-L934 PolarHBondContact O-N 2.96Å
933S74.5Confident88.3Confident118 Ų11866.4 Ų66.483%0.82537%0.374SS*.  trans-88.896.4171.1160.70000109.7
934L83.7Confident88.5Confident35 Ų3565.2 Ų65.218%0.18337%0.371CS..PPolyproline II helixtrans-85134.2171.6-60.4177000110.7W929 T932 K936 V1075 D1077W929-L934 HydrophobicContact CE3-CD1 4.17Å; W929-L934 HydrophobicContact CZ3-CD1 3.77Å; W929-L934 HydrophobicContact CZ3-CD2 4.3Å; W929-L934 HydrophobicContact CZ3-CG 4.41Å; T932-L934 HydrophobicContact CG2-CD2 3.71Å; T932-L934 HydrophobicContact CG2-CG 4.03Å; T932-L934 PolarHBondContact O-N 2.96Å; L934-K936 PolarHBondContact O-N 2.91Å; L934-V1075 HydrophobicContact CB-CG1 4.16Å; L934-V1075 HydrophobicContact CD1-CG1 3.78Å; L934-V1075 HydrophobicContact CG-CG1 4.1Å; L934-D1077 HydrophobicContact CD1-CB 4Å; L934-D1077 VanDerWaalsContact CD1-CG 3.46Å; L934-D1077 WeakPolarHBondContact CD1-OD2 3.43Å
935A84.9Confident88.7Confident45 Ų4565 Ų6537%0.37237%0.365SS..PPolyproline II helixtrans-71.7127.8175.200000110.6W1133A935-W1133 PolarHBondContact O-NE1 2.98Å
936K90Very high88.6Confident127 Ų12767.6 Ų67.655%0.55238%0.378SS*.PPolyproline II helixtrans-72.8131172.3-177.4174.5-177.8162.70109.1L934 N938 E1034L934-K936 PolarHBondContact O-N 2.91Å; K936-N938 PolarHBondContact O-N 2.76Å; K936-E1034 WeakPolarHBondContact CE-OE1 3.23Å; K936-E1034 IonicContact NZ-OE1 3.56Å; K936-E1034 PolarHBondContact NZ-OE1 3.41Å; K936-E1034 IonicContact NZ-OE2 3.39Å
937P94Very high88.6Confident8 Ų864.3 Ų64.35%0.05237%0.367CS..PPolyproline II helixtrans-56136.9175.9-20.527000113F939 V940 I1018 Y1078 W1133P937-F939 VanDerWaalsContact CB-O 3.28Å; P937-F939 WeakPolarHBondContact CB-O 3.33Å; P937-F939 PolarHBondContact O-N 3.49Å; P937-V940 HydrophobicContact CB-CG2 4.11Å; P937-V940 HydrophobicContact CG-CG2 4.32Å; P937-I1018 HydrophobicContact CB-CD1 4.3Å; P937-I1018 HydrophobicContact CB-CG2 3.94Å; P937-I1018 HydrophobicContact CG-CG2 3.65Å; P937-Y1078 HydrophobicContact CG-CD1 3.71Å; P937-Y1078 HydrophobicContact CG-CD2 3.75Å; P937-Y1078 HydrophobicContact CG-CE1 4.09Å; P937-Y1078 HydrophobicContact CG-CE2 4.16Å; P937-Y1078 HydrophobicContact CG-CG 3.55Å; P937-W1133 WeakPolarHBondContact CA-O 2.96Å; P937-W1133 HydrophobicContact CB-CG 4.09Å; P937-W1133 HydrophobicContact CG-CD2 4.27Å; P937-W1133 HydrophobicContact CG-CG 4.11Å
938N95.7Very high89Confident102 Ų10265.7 Ų65.755%0.54537%0.372SS..SBendtrans-65.8-23.6170.2-69.5-32.1000112.4K936 E1131 I1132 W1133K936-N938 PolarHBondContact O-N 2.76Å; N938-E1131 WeakPolarHBondContact CB-O 3.46Å; N938-E1131 PolarHBondContact ND2-O 2.93Å; N938-I1132 WeakPolarHBondContact CB-O 3.45Å; N938-I1132 PolarHBondContact N-O 2.84Å; N938-W1133 PolarHBondContact N-O 3.3Å
939F93.8Very high89.3Confident59 Ų5966 Ų6626%0.25937%0.373SS..  trans-137.5137.6176.3174.9-99.9000111.5P937 G941 I942 R943 I1132P937-F939 VanDerWaalsContact CB-O 3.28Å; P937-F939 WeakPolarHBondContact CB-O 3.33Å; P937-F939 PolarHBondContact O-N 3.49Å; F939-G941 VanDerWaalsContact CE1-C 3.47Å; F939-G941 VanDerWaalsContact CE1-O 3.27Å; F939-G941 WeakPolarHBondContact CE1-O 3.33Å; F939-I942 WeakPolarHBondContact CZ-O 3.4Å; F939-R943 HydrophobicContact CD1-CB 4.48Å; F939-R943 HydrophobicContact CE1-CB 3.76Å; F939-R943 HydrophobicContact CZ-CB 4.07Å; F939-I1132 HydrophobicContact CB-CG2 3.96Å; F939-I1132 HydrophobicContact CD1-CG2 3.92Å; F939-I1132 HydrophobicContact CG-CG2 4.34Å; F939-I1132 PolarHBondContact N-O 2.92Å
940V94Very high89.8Confident54 Ų5465.1 Ų65.133%0.32737%0.371SS..  trans-128.8133.5174.4179.30000107.9P937 I1018 P1020 Y1078P937-V940 HydrophobicContact CB-CG2 4.11Å; P937-V940 HydrophobicContact CG-CG2 4.32Å; V940-I1018 WeakPolarHBondContact CG1-O 3.48Å; V940-P1020 HydrophobicContact CG1-CG 4.29Å; V940-Y1078 HydrophobicContact CG2-CD1 4.37Å; V940-Y1078 HydrophobicContact CG2-CE1 4.02Å
941G94.9Very high90.5Very high22 Ų2265.6 Ų65.623%0.22736%0.363CS..EExtended strand (participates in β ladder)trans118-161.7-171.800000112.7F939 G1017 I1018F939-G941 VanDerWaalsContact CE1-C 3.47Å; F939-G941 VanDerWaalsContact CE1-O 3.27Å; F939-G941 WeakPolarHBondContact CE1-O 3.33Å; G941-G1017 WeakPolarHBondContact O-CA 3.42Å; G941-I1018 PolarHBondContact N-O 2.89Å; G941-I1018 PolarHBondContact O-N 3.47Å
942I96.8Very high91.6Very high72 Ų7265 Ų6537%0.36935%0.352SS..EExtended strand (participates in β ladder)trans-103.5132.6-176.3-56.6170.4000110.6F939 V1015 F1019 L1175 L1176F939-I942 WeakPolarHBondContact CZ-O 3.4Å; I942-V1015 HydrophobicContact CG2-CG2 3.53Å; I942-F1019 HydrophobicContact CG1-CZ 3.95Å; I942-L1175 VanDerWaalsContact CD1-O 3.25Å; I942-L1175 WeakPolarHBondContact CD1-O 3.37Å; I942-L1176 HydrophobicContact CG1-CD2 4.33Å
943R97.2Very high92.7Very high85 Ų8563.2 Ų63.232%0.32134%0.341SS..EExtended strand (participates in β ladder)trans-125.1125.4173.1-177.1176.4-97.4-168.6-8.5109.6F939 F945 V1016 E1131F939-R943 HydrophobicContact CD1-CB 4.48Å; F939-R943 HydrophobicContact CE1-CB 3.76Å; F939-R943 HydrophobicContact CZ-CB 4.07Å; R943-F945 HydrophobicContact CG-CE2 3.92Å; R943-F945 HydrophobicContact CG-CZ 3.85Å; R943-V1016 PolarHBondContact N-O 3.2Å; R943-V1016 PolarHBondContact O-N 3.27Å; R943-E1131 IonicContact NH1-OE1 3.73Å; R943-E1131 PolarHBondContact NH1-OE1 3.23Å
944C97.6Very high93.7Very high50 Ų5058.4 Ų58.434%0.33831%0.306SS..EExtended strand (participates in β ladder)trans-104146.5179-53.10000110.8N1181C944-N1181 VanDerWaalsContact SG-CG 3.57Å
945F97Very high94.1Very high25 Ų2560.6 Ų60.611%0.1132%0.323CS..EExtended strand (participates in β ladder)trans-126.4105.5175-59.3-89.4000108.1R943 Y948 K1013 A1014 V1016 M1124 I1132R943-F945 HydrophobicContact CG-CE2 3.92Å; R943-F945 HydrophobicContact CG-CZ 3.85Å; F945-Y948 HydrophobicContact CB-CD2 4.12Å; F945-Y948 HydrophobicContact CD1-CD2 4.41Å; F945-Y948 HydrophobicContact CD1-CE2 4.16Å; F945-K1013 VanDerWaalsContact O-CA 3.3Å; F945-K1013 WeakPolarHBondContact O-CA 3.44Å; F945-A1014 HydrophobicContact CB-CB 4.2Å; F945-A1014 HydrophobicContact CD2-CB 4.18Å; F945-A1014 PolarHBondContact N-O 3.12Å; F945-A1014 PolarHBondContact O-N 2.89Å; F945-V1016 HydrophobicContact CE2-CG2 4.32Å; F945-M1124 HydrophobicContact CD2-SD 3.84Å; F945-M1124 HydrophobicContact CE2-SD 3.78Å; F945-M1124 HydrophobicContact CG-SD 4.38Å; F945-M1124 HydrophobicContact CZ-SD 4.27Å; F945-I1132 HydrophobicContact CZ-CD1 4.11Å
946D93.2Very high94.6Very high98 Ų9860.5 Ų60.552%0.52431%0.313SS..EExtended strand (participates in β ladder)trans-97.8142.6178.9-73.8-62.3000111Y948 K1013D946-Y948 VanDerWaalsContact C-N 3.33Å; D946-Y948 PolarHBondContact O-N 3.18Å; D946-K1013 WeakPolarHBondContact OD1-CE 3.37Å; D946-K1013 IonicContact OD1-NZ 3.73Å; D946-K1013 PolarHBondContact OD1-NZ 2.68Å
947D88.7Confident94.8Very high100 Ų10054.8 Ų54.854%0.53529%0.288SS..EExtended strand (participates in β ladder)trans45.853.5178.1-72.7-19.7000112.9R1011 A1012D947-R1011 WeakPolarHBondContact OD1-CD 3.25Å; D947-R1011 IonicContact OD1-NH1 3.37Å; D947-A1012 WeakPolarHBondContact CA-O 3.21Å; D947-A1012 PolarHBondContact N-O 3.24Å
948Y95.1Very high94.7Very high35 Ų3556.7 Ų56.714%0.13730%0.298CS..EExtended strand (participates in β ladder)trans-63.3138.8-178.4-153.9-103.7000111.8F945 D946 L950 L952 L953 A1012 F1120 E1123 M1124 R1127F945-Y948 HydrophobicContact CB-CD2 4.12Å; F945-Y948 HydrophobicContact CD1-CD2 4.41Å; F945-Y948 HydrophobicContact CD1-CE2 4.16Å; D946-Y948 VanDerWaalsContact C-N 3.33Å; D946-Y948 PolarHBondContact O-N 3.18Å; Y948-L950 PolarHBondContact O-N 2.94Å; Y948-L950 VanDerWaalsContact O-N 3.1Å; Y948-L952 HydrophobicContact CE1-CB 4.3Å; Y948-L952 HydrophobicContact CE1-CD1 4.16Å; Y948-L953 HydrophobicContact CD1-CD2 4.05Å; Y948-L953 HydrophobicContact CD1-CG 4.33Å; Y948-L953 HydrophobicContact CE1-CD2 3.97Å; Y948-A1012 PolarHBondContact N-O 2.83Å; Y948-F1120 HydrophobicContact CD1-CD2 4.18Å; Y948-F1120 AromaticContact CD1-CE2 3.51Å; Y948-F1120 HydrophobicContact CD1-CE2 3.51Å; Y948-F1120 AromaticContact CD1-CZ 3.98Å; Y948-F1120 HydrophobicContact CD1-CZ 3.98Å; Y948-F1120 HydrophobicContact CD2-CE2 4.12Å; Y948-F1120 HydrophobicContact CD2-CZ 4.2Å; Y948-F1120 HydrophobicContact CE1-CD2 4.42Å; Y948-F1120 AromaticContact CE1-CE2 3.88Å; Y948-F1120 HydrophobicContact CE1-CE2 3.88Å; Y948-F1120 HydrophobicContact CE2-CE2 4.46Å; Y948-F1120 AromaticContact CG-CE2 3.62Å; Y948-F1120 HydrophobicContact CG-CE2 3.62Å; Y948-F1120 AromaticContact CG-CZ 3.67Å; Y948-F1120 HydrophobicContact CG-CZ 3.67Å; Y948-E1123 WeakPolarHBondContact CE1-OE2 3.22Å; Y948-E1123 VanDerWaalsContact OH-CD 3.3Å; Y948-E1123 PolarHBondContact OH-OE1 2.88Å; Y948-E1123 PolarHBondContact OH-OE2 3.08Å; Y948-M1124 HydrophobicContact CE2-CE 4.29Å; Y948-R1127 PolarHBondContact OH-NH1 3Å
949D94.7Very high94.5Very high87 Ų8753.1 Ų53.147%0.46528%0.277SS..  trans-67.4110-179.2-177.83.3000110.8Q951 L952D949-Q951 PolarHBondContact O-N 3.32Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.4Å; D949-Q951 PolarHBondContact OD1-N 3.36Å; D949-L952 HydrophobicContact CB-CD1 4.11Å; D949-L952 HydrophobicContact CB-CG 4.1Å; D949-L952 WeakPolarHBondContact O-CB 3.4Å; D949-L952 PolarHBondContact O-N 2.95Å; D949-L952 VanDerWaalsContact O-N 3.12Å
950L95.3Very high94Very high11 Ų1153 Ų536%0.05828%0.276CS..Hα-helixtrans-59.8-26.6178.7-64.7-177.1000112.6Y948 L952 L953 V954 I1004 V1005 L1010 A1012Y948-L950 PolarHBondContact O-N 2.94Å; Y948-L950 VanDerWaalsContact O-N 3.1Å; L950-L952 PolarHBondContact O-N 2.81Å; L950-L953 HydrophobicContact CD2-CD1 4.01Å; L950-L953 WeakPolarHBondContact O-CB 3.32Å; L950-L953 PolarHBondContact O-N 3.1Å; L950-V954 PolarHBondContact O-N 2.55Å; L950-I1004 HydrophobicContact CD1-CG2 3.94Å; L950-V1005 HydrophobicContact CB-CG2 4.05Å; L950-L1010 HydrophobicContact CD1-CB 4.14Å; L950-L1010 WeakPolarHBondContact CD1-O 3.36Å; L950-A1012 HydrophobicContact CD2-CB 3.66Å
951Q95Very high93.7Very high103 Ų10351.3 Ų51.348%0.48127%0.268SS..Hα-helixtrans-62.8-29.1178.9-172.958.251.400112.1D949 L953 V1005D949-Q951 PolarHBondContact O-N 3.32Å; D949-Q951 WeakPolarHBondContact OD1-CB 3.4Å; D949-Q951 PolarHBondContact OD1-N 3.36Å; Q951-L953 VanDerWaalsContact C-N 3.29Å; Q951-V1005 HydrophobicContact CB-CG1 4.35Å
952L94.9Very high93.5Very high91 Ų9150.2 Ų50.248%0.47626%0.257SS..Hα-helixtrans-72.1-23.2175.4-60.2178.4000112.6Y948 D949 L950 P955 Y956Y948-L952 HydrophobicContact CE1-CB 4.3Å; Y948-L952 HydrophobicContact CE1-CD1 4.16Å; D949-L952 HydrophobicContact CB-CD1 4.11Å; D949-L952 HydrophobicContact CB-CG 4.1Å; D949-L952 WeakPolarHBondContact O-CB 3.4Å; D949-L952 PolarHBondContact O-N 2.95Å; D949-L952 VanDerWaalsContact O-N 3.12Å; L950-L952 PolarHBondContact O-N 2.81Å; L952-P955 WeakPolarHBondContact O-CD 3.41Å; L952-Y956 WeakPolarHBondContact O-CD2 3.49Å
953L96.1Very high93.1Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-87.3-26.5-178-54.7-176.2000113Y948 L950 Q951 P955 Y956 A1012 L1116 A1119 F1120 E1123Y948-L953 HydrophobicContact CD1-CD2 4.05Å; Y948-L953 HydrophobicContact CD1-CG 4.33Å; Y948-L953 HydrophobicContact CE1-CD2 3.97Å; L950-L953 HydrophobicContact CD2-CD1 4.01Å; L950-L953 WeakPolarHBondContact O-CB 3.32Å; L950-L953 PolarHBondContact O-N 3.1Å; Q951-L953 VanDerWaalsContact C-N 3.29Å; L953-P955 VanDerWaalsContact C-N 3.31Å; L953-Y956 PolarHBondContact O-N 2.93Å; L953-A1012 HydrophobicContact CD1-CB 4.43Å; L953-L1116 HydrophobicContact CB-CD2 4.06Å; L953-A1119 HydrophobicContact CB-CB 4.39Å; L953-F1120 HydrophobicContact CD1-CB 3.85Å; L953-F1120 HydrophobicContact CD1-CD1 4.44Å; L953-F1120 HydrophobicContact CD1-CD2 4.23Å; L953-F1120 HydrophobicContact CD1-CG 3.96Å; L953-F1120 HydrophobicContact CD2-CB 4.11Å; L953-F1120 HydrophobicContact CD2-CD2 3.73Å; L953-F1120 HydrophobicContact CD2-CE2 4.48Å; L953-F1120 HydrophobicContact CD2-CG 4.17Å; L953-E1123 HydrophobicContact CD2-CB 4.17Å; L953-E1123 HydrophobicContact CD2-CG 4.24Å; L953-E1123 WeakPolarHBondContact CD2-OE2 3.42Å
954V95Very high92.4Very high17 Ų1746.4 Ų46.410%0.10324%0.244CC..G310 helixtrans-50.5-42-177.9177.30000113.6L950 Y956 I957 L1001L950-V954 PolarHBondContact O-N 2.55Å; V954-Y956 VanDerWaalsContact C-N 3.27Å; V954-Y956 PolarHBondContact O-N 3.26Å; V954-I957 PolarHBondContact O-N 3.16Å; V954-L1001 HydrophobicContact CG1-CD2 4.09Å; V954-L1001 HydrophobicContact CG2-CD2 4.15Å; V954-L1001 HydrophobicContact CG2-CG 4.46Å
955P93.1Very high91.7Very high81 Ų8145.8 Ų45.853%0.52624%0.236SC..G310 helixtrans-65-25.5178.3-22.935.8000114.7L952 L953L952-P955 WeakPolarHBondContact O-CD 3.41Å; L953-P955 VanDerWaalsContact C-N 3.31Å
956Y94.5Very high91Very high44 Ų4444.6 Ų44.617%0.17323%0.231CC..G310 helixtrans-87.3-8.4-175.6-69.2-91.6000113.8L952 L953 V954 D958 E1122 E1123 E1126 L1146 H1147L952-Y956 WeakPolarHBondContact O-CD2 3.49Å; L953-Y956 PolarHBondContact O-N 2.93Å; V954-Y956 VanDerWaalsContact C-N 3.27Å; V954-Y956 PolarHBondContact O-N 3.26Å; Y956-D958 PolarHBondContact O-N 3.33Å; Y956-D958 VanDerWaalsContact O-N 3.17Å; Y956-E1122 HydrophobicContact CD1-CG 4.24Å; Y956-E1123 HydrophobicContact CD1-CB 4.46Å; Y956-E1123 HydrophobicContact CD2-CB 4.2Å; Y956-E1123 HydrophobicContact CD2-CG 4.33Å; Y956-E1123 HydrophobicContact CE1-CB 4.42Å; Y956-E1123 HydrophobicContact CE2-CB 4.19Å; Y956-E1123 HydrophobicContact CE2-CG 3.93Å; Y956-E1123 HydrophobicContact CG-CB 4.35Å; Y956-E1126 WeakPolarHBondContact CE1-OE2 3.43Å; Y956-E1126 PolarHBondContact OH-OE2 3.19Å; Y956-L1146 HydrophobicContact CD1-CD1 4.19Å; Y956-L1146 HydrophobicContact CE1-CD1 3.74Å; Y956-H1147 PolarHBondContact O-NE2 3.29Å
957I94.9Very high90Very high6 Ų642.2 Ų42.23%0.03122%0.217CC..  trans-57.7119.4-178.9-67.9174.7000110.6V954 W959 L1001 R1115 L1116 A1119V954-I957 PolarHBondContact O-N 3.16Å; I957-W959 HydrophobicContact CB-CZ2 4.47Å; I957-W959 HydrophobicContact CD1-CZ2 4.18Å; I957-W959 HydrophobicContact CG2-CD2 3.75Å; I957-W959 HydrophobicContact CG2-CE3 4.29Å; I957-W959 HydrophobicContact CG2-CG 4.05Å; I957-W959 HydrophobicContact CG2-CH2 4.47Å; I957-W959 HydrophobicContact CG2-CZ2 3.94Å; I957-W959 PolarHBondContact O-N 3.11Å; I957-W959 VanDerWaalsContact O-N 3.16Å; I957-L1001 HydrophobicContact CD1-CD2 3.83Å; I957-R1115 HydrophobicContact CG2-CB 4.14Å; I957-L1116 HydrophobicContact CD1-CD2 4.09Å; I957-A1119 HydrophobicContact CG1-CB 4.2Å
958D91.4Very high89.3Confident48 Ų4837.5 Ų37.526%0.25719%0.192SC..  trans-78.495.1165.5-177.58000110.3Y956 K960 A961 F962 R1115Y956-D958 PolarHBondContact O-N 3.33Å; Y956-D958 VanDerWaalsContact O-N 3.17Å; D958-K960 PolarHBondContact O-N 2.98Å; D958-K960 VanDerWaalsContact OD1-CB 3.23Å; D958-K960 WeakPolarHBondContact OD1-CB 3.23Å; D958-K960 PolarHBondContact OD1-N 3.49Å; D958-A961 PolarHBondContact O-N 3.28Å; D958-F962 PolarHBondContact O-N 2.99Å; D958-R1115 WeakPolarHBondContact O-CD 3.45Å
959W90.6Very high87.7Confident27 Ų2744.7 Ų44.710%0.10222%0.219CC..Hα-helixtrans-65.4-21.5177.1-6999.6000113.4I957 F962 F963 F977 Y994 A997 L1001 L1112I957-W959 HydrophobicContact CB-CZ2 4.47Å; I957-W959 HydrophobicContact CD1-CZ2 4.18Å; I957-W959 HydrophobicContact CG2-CD2 3.75Å; I957-W959 HydrophobicContact CG2-CE3 4.29Å; I957-W959 HydrophobicContact CG2-CG 4.05Å; I957-W959 HydrophobicContact CG2-CH2 4.47Å; I957-W959 HydrophobicContact CG2-CZ2 3.94Å; I957-W959 PolarHBondContact O-N 3.11Å; I957-W959 VanDerWaalsContact O-N 3.16Å; W959-F962 HydrophobicContact CE3-CB 4.19Å; W959-F962 AromaticContact CE3-CD1 3.77Å; W959-F962 HydrophobicContact CE3-CD1 3.77Å; W959-F962 HydrophobicContact CE3-CE1 4.32Å; W959-F962 AromaticContact CE3-CG 3.96Å; W959-F962 HydrophobicContact CE3-CG 3.96Å; W959-F962 HydrophobicContact CZ3-CD1 4.07Å; W959-F962 HydrophobicContact CZ3-CD2 4.47Å; W959-F962 HydrophobicContact CZ3-CE1 4.24Å; W959-F962 HydrophobicContact CZ3-CG 4.19Å; W959-F962 WeakPolarHBondContact O-CB 3.4Å; W959-F962 PolarHBondContact O-N 2.69Å; W959-F963 HydrophobicContact CB-CE2 4.01Å; W959-F963 WeakPolarHBondContact O-CD2 3.31Å; W959-F963 WeakPolarHBondContact O-CE2 3.19Å; W959-F963 PolarHBondContact O-N 3.37Å; W959-F977 HydrophobicContact CB-CD2 4.26Å; W959-F977 HydrophobicContact CB-CE2 4.08Å; W959-F977 HydrophobicContact CG-CE2 4.31Å; W959-Y994 HydrophobicContact CD2-CD2 4.05Å; W959-Y994 AromaticContact CD2-CE2 3.65Å; W959-Y994 HydrophobicContact CD2-CE2 3.65Å; W959-Y994 AromaticContact CE2-CE2 3.66Å; W959-Y994 AromaticContact CE3-CD2 3.73Å; W959-Y994 HydrophobicContact CE3-CD2 3.73Å; W959-Y994 AromaticContact CE3-CE2 3.79Å; W959-Y994 HydrophobicContact CE3-CE2 3.79Å; W959-Y994 HydrophobicContact CG-CE2 4.28Å; W959-Y994 HydrophobicContact CH2-CD2 4.24Å; W959-Y994 AromaticContact CH2-CE2 3.96Å; W959-Y994 HydrophobicContact CH2-CE2 3.96Å; W959-Y994 AromaticContact CZ2-CE2 3.83Å; W959-Y994 HydrophobicContact CZ2-CE2 3.83Å; W959-Y994 AromaticContact CZ3-CD2 3.83Å; W959-Y994 HydrophobicContact CZ3-CD2 3.83Å; W959-Y994 AromaticContact CZ3-CE2 3.94Å; W959-Y994 HydrophobicContact CZ3-CE2 3.94Å; W959-A997 HydrophobicContact CH2-CB 4.37Å; W959-A997 HydrophobicContact CZ3-CB 3.98Å; W959-L1001 HydrophobicContact CH2-CD2 4.3Å; W959-L1001 HydrophobicContact CZ2-CD2 4.3Å; W959-L1112 HydrophobicContact CH2-CD2 4.33Å; W959-L1112 HydrophobicContact CZ3-CD2 4.45Å
960K84.8Confident85.4Confident56 Ų5641.7 Ų41.724%0.24321%0.208CC..Hα-helixtrans-66.7-48.2178.6179.3-121.2178.9-77.20110.6D958 F962 F963 D964 Y972D958-K960 PolarHBondContact O-N 2.98Å; D958-K960 VanDerWaalsContact OD1-CB 3.23Å; D958-K960 WeakPolarHBondContact OD1-CB 3.23Å; D958-K960 PolarHBondContact OD1-N 3.49Å; K960-F962 PolarHBondContact O-N 2.82Å; K960-F963 PolarHBondContact O-N 3.03Å; K960-F963 VanDerWaalsContact O-N 3.15Å; K960-D964 IonicContact NZ-OD1 3.86Å; K960-D964 PolarHBondContact NZ-OD1 2.81Å; K960-D964 IonicContact NZ-OD2 2.79Å; K960-D964 PolarHBondContact NZ-OD2 2.92Å; K960-D964 PolarHBondContact O-N 3.19Å; K960-Y972 HydrophobicContact CB-CE2 4.36Å; K960-Y972 HydrophobicContact CD-CD1 4.2Å; K960-Y972 HydrophobicContact CD-CD2 4Å; K960-Y972 HydrophobicContact CD-CE1 3.73Å; K960-Y972 HydrophobicContact CD-CE2 3.47Å; K960-Y972 VanDerWaalsContact CD-CE2 3.47Å; K960-Y972 HydrophobicContact CD-CG 4.32Å; K960-Y972 VanDerWaalsContact CE-CE2 3.46Å; K960-Y972 VanDerWaalsContact CE-CG 3.44Å; K960-Y972 HydrophobicContact CG-CD2 3.79Å; K960-Y972 HydrophobicContact CG-CE2 3.53Å; K960-Y972 HydrophobicContact CG-CG 4.4Å
961A86.8Confident82.7Confident19 Ų1947.8 Ų47.816%0.15723%0.234CC..Hα-helixtrans-65.1-28174.800000112.8D958 D964 I965D958-A961 PolarHBondContact O-N 3.28Å; A961-D964 PolarHBondContact O-N 3.29Å; A961-I965 PolarHBondContact O-N 2.8Å
962F91Very high79.8Confident0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-61.1-48.1169.1171.4-95.5000111.9D958 W959 K960 D964 I965 W966 V993 A997 M1108 A1111 L1112 R1115D958-F962 PolarHBondContact O-N 2.99Å; W959-F962 HydrophobicContact CE3-CB 4.19Å; W959-F962 AromaticContact CE3-CD1 3.77Å; W959-F962 HydrophobicContact CE3-CD1 3.77Å; W959-F962 HydrophobicContact CE3-CE1 4.32Å; W959-F962 AromaticContact CE3-CG 3.96Å; W959-F962 HydrophobicContact CE3-CG 3.96Å; W959-F962 HydrophobicContact CZ3-CD1 4.07Å; W959-F962 HydrophobicContact CZ3-CD2 4.47Å; W959-F962 HydrophobicContact CZ3-CE1 4.24Å; W959-F962 HydrophobicContact CZ3-CG 4.19Å; W959-F962 WeakPolarHBondContact O-CB 3.4Å; W959-F962 PolarHBondContact O-N 2.69Å; K960-F962 PolarHBondContact O-N 2.82Å; F962-D964 VanDerWaalsContact C-N 3.3Å; F962-D964 PolarHBondContact O-N 2.75Å; F962-I965 WeakPolarHBondContact O-CB 3.41Å; F962-I965 PolarHBondContact O-N 2.96Å; F962-W966 AromaticContact CE1-CD1 3.99Å; F962-W966 AromaticContact CE1-NE1 3.94Å; F962-W966 AromaticContact CE2-NE1 3.63Å; F962-W966 AromaticContact CZ-CD1 3.89Å; F962-W966 AromaticContact CZ-NE1 3.36Å; F962-V993 HydrophobicContact CE1-CG1 3.79Å; F962-V993 HydrophobicContact CZ-CG1 3.88Å; F962-A997 HydrophobicContact CE1-CB 4.12Å; F962-A997 HydrophobicContact CE2-CB 4.14Å; F962-A997 HydrophobicContact CZ-CB 3.55Å; F962-M1108 HydrophobicContact CE2-SD 3.76Å; F962-M1108 HydrophobicContact CZ-CE 4.37Å; F962-M1108 HydrophobicContact CZ-SD 3.54Å; F962-M1108 VanDerWaalsContact CZ-SD 3.54Å; F962-A1111 HydrophobicContact CD2-CB 4.09Å; F962-A1111 HydrophobicContact CE2-CB 4.04Å; F962-L1112 HydrophobicContact CE2-CD2 4.3Å; F962-R1115 HydrophobicContact CB-CG 3.93Å; F962-R1115 HydrophobicContact CD2-CG 4.32Å
963F88.2Confident77.1Confident9 Ų950.2 Ų50.24%0.03925%0.246CC..Hα-helixtrans-67.4-29.3178.7-65.2-60.4000113.3W959 K960 I965 W966 Q967 L968 F977 L980 F981 A990 Y994W959-F963 HydrophobicContact CB-CE2 4.01Å; W959-F963 WeakPolarHBondContact O-CD2 3.31Å; W959-F963 WeakPolarHBondContact O-CE2 3.19Å; W959-F963 PolarHBondContact O-N 3.37Å; K960-F963 PolarHBondContact O-N 3.03Å; K960-F963 VanDerWaalsContact O-N 3.15Å; F963-I965 VanDerWaalsContact C-N 3.3Å; F963-I965 PolarHBondContact O-N 3.29Å; F963-W966 PolarHBondContact O-N 3.36Å; F963-W966 VanDerWaalsContact O-N 3.16Å; F963-Q967 PolarHBondContact O-N 2.82Å; F963-L968 HydrophobicContact CB-CB 4.29Å; F963-L968 HydrophobicContact CD1-CD1 4.05Å; F963-L968 PolarHBondContact O-N 3.17Å; F963-L968 VanDerWaalsContact O-N 3.12Å; F963-F977 HydrophobicContact CE2-CD2 4.49Å; F963-F977 AromaticContact CE2-CE2 3.96Å; F963-F977 HydrophobicContact CE2-CE2 3.96Å; F963-F977 HydrophobicContact CZ-CE2 4.31Å; F963-L980 HydrophobicContact CB-CD2 3.77Å; F963-L980 HydrophobicContact CD1-CD2 3.64Å; F963-L980 HydrophobicContact CD2-CD2 3.3Å; F963-L980 HydrophobicContact CE1-CD2 4.04Å; F963-L980 HydrophobicContact CE2-CD2 3.74Å; F963-L980 HydrophobicContact CG-CD2 3.27Å; F963-L980 HydrophobicContact CZ-CD2 4.1Å; F963-F981 HydrophobicContact CE1-CE1 4.18Å; F963-F981 HydrophobicContact CE2-CE1 4.25Å; F963-F981 AromaticContact CZ-CE1 3.53Å; F963-F981 HydrophobicContact CZ-CE1 3.53Å; F963-F981 AromaticContact CZ-CZ 3.99Å; F963-F981 HydrophobicContact CZ-CZ 3.99Å; F963-A990 HydrophobicContact CE1-CB 4.23Å; F963-Y994 HydrophobicContact CZ-CD2 4.21Å
964D81.7Confident73.9Confident67 Ų6755.8 Ų55.836%0.35828%0.276SS..Hα-helixtrans-60.8-37.5175.7-68.2-24.9000112K960 A961 F962 W966 Q967K960-D964 IonicContact NZ-OD1 3.86Å; K960-D964 PolarHBondContact NZ-OD1 2.81Å; K960-D964 IonicContact NZ-OD2 2.79Å; K960-D964 PolarHBondContact NZ-OD2 2.92Å; K960-D964 PolarHBondContact O-N 3.19Å; A961-D964 PolarHBondContact O-N 3.29Å; F962-D964 VanDerWaalsContact C-N 3.3Å; F962-D964 PolarHBondContact O-N 2.75Å; D964-W966 VanDerWaalsContact C-N 3.27Å; D964-W966 PolarHBondContact O-N 2.83Å; D964-Q967 PolarHBondContact O-N 3.34Å
965I83.7Confident71.2Confident37 Ų3761 Ų6119%0.1929%0.294CS..Hα-helixtrans-59.5-40176-64.3168.5000110.8I772 A961 F962 F963 Q967 A1111I772-I965 HydrophobicContact CG2-CG2 3.98Å; A961-I965 PolarHBondContact O-N 2.8Å; F962-I965 WeakPolarHBondContact O-CB 3.41Å; F962-I965 PolarHBondContact O-N 2.96Å; F963-I965 VanDerWaalsContact C-N 3.3Å; F963-I965 PolarHBondContact O-N 3.29Å; I965-Q967 PolarHBondContact O-N 2.89Å; I965-A1111 HydrophobicContact CD1-CB 3.9Å; I965-A1111 HydrophobicContact CG2-CB 4.45Å
966W81.3Confident68.5Low0 Ų059 Ų590%029%0.289CS..THydrogen-bonded Turntrans-80.92.5178.1-66.799.1000113.8P721 I724 F962 F963 D964 L968 V993 Y1104 I1107 M1108P721-W966 HydrophobicContact CB-CE3 4.12Å; P721-W966 HydrophobicContact CB-CZ3 4.29Å; P721-W966 HydrophobicContact CG-CB 4.31Å; P721-W966 HydrophobicContact CG-CD2 4.24Å; P721-W966 HydrophobicContact CG-CE3 3.65Å; P721-W966 HydrophobicContact CG-CZ3 4.32Å; I724-W966 HydrophobicContact CD1-CE3 4.19Å; I724-W966 HydrophobicContact CD1-CH2 4.49Å; I724-W966 HydrophobicContact CD1-CZ3 3.57Å; F962-W966 AromaticContact CE1-CD1 3.99Å; F962-W966 AromaticContact CE1-NE1 3.94Å; F962-W966 AromaticContact CE2-NE1 3.63Å; F962-W966 AromaticContact CZ-CD1 3.89Å; F962-W966 AromaticContact CZ-NE1 3.36Å; F963-W966 PolarHBondContact O-N 3.36Å; F963-W966 VanDerWaalsContact O-N 3.16Å; D964-W966 VanDerWaalsContact C-N 3.27Å; D964-W966 PolarHBondContact O-N 2.83Å; W966-L968 HydrophobicContact CB-CD1 4.09Å; W966-L968 HydrophobicContact CB-CG 4.01Å; W966-L968 PolarHBondContact O-N 3.27Å; W966-L968 VanDerWaalsContact O-N 3.11Å; W966-V993 HydrophobicContact CD2-CG1 4.18Å; W966-V993 HydrophobicContact CG-CG1 4.18Å; W966-Y1104 AromaticContact CH2-CD2 3.57Å; W966-Y1104 HydrophobicContact CH2-CD2 3.57Å; W966-Y1104 AromaticContact CH2-CE2 3.52Å; W966-Y1104 HydrophobicContact CH2-CE2 3.52Å; W966-Y1104 HydrophobicContact CH2-CG 4.39Å; W966-Y1104 HydrophobicContact CZ2-CE2 4.33Å; W966-Y1104 AromaticContact CZ3-CD2 3.78Å; W966-Y1104 HydrophobicContact CZ3-CD2 3.78Å; W966-Y1104 AromaticContact CZ3-CE2 3.73Å; W966-Y1104 HydrophobicContact CZ3-CE2 3.73Å; W966-I1107 HydrophobicContact CH2-CB 4.13Å; W966-I1107 HydrophobicContact CH2-CG2 3.85Å; W966-I1107 HydrophobicContact CZ2-CB 4.47Å; W966-I1107 HydrophobicContact CZ2-CG2 3.91Å; W966-I1107 HydrophobicContact CZ3-CG2 4.24Å; W966-M1108 HydrophobicContact CH2-CE 4.32Å; W966-M1108 HydrophobicContact CZ2-CB 4.09Å; W966-M1108 HydrophobicContact CZ2-CE 3.68Å; W966-M1108 HydrophobicContact CZ2-SD 3.95Å
967Q74.1Confident66Low48 Ų4862.2 Ų62.222%0.22430%0.303CS..THydrogen-bonded Turntrans54.823.3-172.7-53.3-176.39.300113.9L720 F963 D964 I965 R969L720-Q967 HydrophobicContact CD2-CG 4.41Å; F963-Q967 PolarHBondContact O-N 2.82Å; D964-Q967 PolarHBondContact O-N 3.34Å; I965-Q967 PolarHBondContact O-N 2.89Å; Q967-R969 PolarHBondContact O-N 2.99Å
968L73.4Confident63.7Low2 Ų264.9 Ų64.91%0.0132%0.321CS..  trans-78.972.3172.3-66.9173.5000108.8F719 P721 F963 W966 G970 V986 E989 A990 V993F719-L968 HydrophobicContact CB-CD2 3.89Å; F719-L968 HydrophobicContact CD1-CD2 4.36Å; F719-L968 HydrophobicContact CG-CD2 4.04Å; P721-L968 HydrophobicContact CG-CD1 4.23Å; P721-L968 HydrophobicContact CG-CD2 4.41Å; P721-L968 HydrophobicContact CG-CG 4.41Å; F963-L968 HydrophobicContact CB-CB 4.29Å; F963-L968 HydrophobicContact CD1-CD1 4.05Å; F963-L968 PolarHBondContact O-N 3.17Å; F963-L968 VanDerWaalsContact O-N 3.12Å; W966-L968 HydrophobicContact CB-CD1 4.09Å; W966-L968 HydrophobicContact CB-CG 4.01Å; W966-L968 PolarHBondContact O-N 3.27Å; W966-L968 VanDerWaalsContact O-N 3.11Å; L968-G970 PolarHBondContact O-N 2.88Å; L968-V986 HydrophobicContact CD2-CB 4.11Å; L968-V986 HydrophobicContact CD2-CG1 4.12Å; L968-E989 HydrophobicContact CD2-CB 4.46Å; L968-E989 HydrophobicContact CD2-CG 4.38Å; L968-A990 HydrophobicContact CD1-CB 4.17Å; L968-V993 HydrophobicContact CD1-CB 4.35Å; L968-V993 HydrophobicContact CD1-CG2 4.16Å
969R60.7Low62.2Low185 Ų18567.1 Ų67.170%0.69833%0.329SS*.  trans-88.4102.2-176.3-64.5-175.9-179.31802.9110.7Q967Q967-R969 PolarHBondContact O-N 2.99Å
970G47.5Very low61.2Low24 Ų2467.2 Ų67.225%0.24733%0.331CS..  trans-92.6164.5161.300000111.5L968 Y972L968-G970 PolarHBondContact O-N 2.88Å; G970-Y972 PolarHBondContact O-N 2.93Å
971K38.8Very low61Low139 Ų13965.6 Ų65.660%0.60432%0.324SS*.SBendtrans-51.4106.1175-83.1-176.1178.6-179.40111
972Y34.3Very low60.2Low150 Ų15069.8 Ų69.859%0.58834%0.344SS*.  trans-131.5132.2174.1-172.5-82.7000106.6K960 G970K960-Y972 HydrophobicContact CB-CE2 4.36Å; K960-Y972 HydrophobicContact CD-CD1 4.2Å; K960-Y972 HydrophobicContact CD-CD2 4Å; K960-Y972 HydrophobicContact CD-CE1 3.73Å; K960-Y972 HydrophobicContact CD-CE2 3.47Å; K960-Y972 VanDerWaalsContact CD-CE2 3.47Å; K960-Y972 HydrophobicContact CD-CG 4.32Å; K960-Y972 VanDerWaalsContact CE-CE2 3.46Å; K960-Y972 VanDerWaalsContact CE-CG 3.44Å; K960-Y972 HydrophobicContact CG-CD2 3.79Å; K960-Y972 HydrophobicContact CG-CE2 3.53Å; K960-Y972 HydrophobicContact CG-CG 4.4Å; G970-Y972 PolarHBondContact O-N 2.93Å
973P37.6Very low59Low96 Ų9671.2 Ų71.262%0.62335%0.352SS*.SBendcis-116.7124.829.134.7-20.8000113.3
974N28.6Very low57.9Low117 Ų11771.2 Ų71.263%0.62635%0.352SS*.SBendtrans176.6118.8136-97.5-29.2000110.6K979N974-K979 PolarHBondContact O-NZ 3.21Å
975R37.2Very low57Low126 Ų12671 Ų7148%0.47535%0.351SS..SBendtrans84.9113.8159.1-49.7168.2-167.9-176.9-2.7115.9P146 V148P146-R975 PolarHBondContact O-NH1 2.96Å; V148-R975 HydrophobicContact CG2-CB 3.82Å; V148-R975 HydrophobicContact CG2-CG 4.06Å
976G36.9Very low56.4Low40 Ų4069.6 Ų69.641%0.41234%0.344SS..  trans61.1125.2148.500000118.7K979G976-K979 PolarHBondContact O-N 3.31Å
977F42.9Very low56.3Low110 Ų11069.6 Ų69.648%0.48234%0.344SS..THydrogen-bonded Turntrans-52.2118.6144.9-164.6-96.4000106.8W959 F963 F981 Y994W959-F977 HydrophobicContact CB-CD2 4.26Å; W959-F977 HydrophobicContact CB-CE2 4.08Å; W959-F977 HydrophobicContact CG-CE2 4.31Å; F963-F977 HydrophobicContact CE2-CD2 4.49Å; F963-F977 AromaticContact CE2-CE2 3.96Å; F963-F977 HydrophobicContact CE2-CE2 3.96Å; F963-F977 HydrophobicContact CZ-CE2 4.31Å; F977-F981 HydrophobicContact CE1-CD2 4.37Å; F977-F981 AromaticContact CE1-CE2 3.63Å; F977-F981 HydrophobicContact CE1-CE2 3.63Å; F977-F981 HydrophobicContact CE1-CZ 4.16Å; F977-F981 HydrophobicContact CE2-CE1 4.24Å; F977-F981 AromaticContact CE2-CE2 3.85Å; F977-F981 HydrophobicContact CE2-CE2 3.85Å; F977-F981 AromaticContact CE2-CZ 3.54Å; F977-F981 HydrophobicContact CE2-CZ 3.54Å; F977-F981 HydrophobicContact CZ-CD2 4.16Å; F977-F981 HydrophobicContact CZ-CE1 4.3Å; F977-F981 AromaticContact CZ-CE2 3.16Å; F977-F981 HydrophobicContact CZ-CE2 3.16Å; F977-F981 AromaticContact CZ-CZ 3.22Å; F977-F981 HydrophobicContact CZ-CZ 3.22Å; F977-Y994 HydrophobicContact CE2-CD2 4.43Å; F977-Y994 HydrophobicContact CE2-CE2 4.2Å; F977-Y994 HydrophobicContact CZ-CD1 4.43Å; F977-Y994 HydrophobicContact CZ-CD2 4.1Å; F977-Y994 HydrophobicContact CZ-CE1 4.01Å; F977-Y994 AromaticContact CZ-CE2 3.65Å; F977-Y994 HydrophobicContact CZ-CE2 3.65Å; F977-Y994 HydrophobicContact CZ-CG 4.47Å; F977-Y994 AromaticContact CZ-CZ 3.6Å
978P46.7Very low56.6Low63 Ų6370.7 Ų70.741%0.40936%0.355SS..THydrogen-bonded Turncis-134.346.638.640.1-20.3000114.9L980 F981P978-L980 PolarHBondContact O-N 3.44Å; P978-F981 HydrophobicContact CB-CB 4.25Å; P978-F981 HydrophobicContact CB-CD2 4.01Å; P978-F981 HydrophobicContact CB-CG 4.45Å; P978-F981 PolarHBondContact O-N 3.24Å
979K60.2Low56.8Low95 Ų9571.1 Ų71.141%0.41336%0.358SS..THydrogen-bonded Turntrans-62.2-39.7176.4-75.2-172.8-176.9175.80113.9N974 G976 F981 N982 D983N974-K979 PolarHBondContact O-NZ 3.21Å; G976-K979 PolarHBondContact O-N 3.31Å; K979-F981 VanDerWaalsContact C-N 3.27Å; K979-F981 PolarHBondContact O-N 3.46Å; K979-N982 CarbonylContact O-C 3.53Å; K979-N982 PolarHBondContact O-N 3.08Å; K979-D983 PolarHBondContact O-N 2.69Å
980L69.9Low58Low29 Ų2962.3 Ų62.315%0.15232%0.324CS..G310 helixtrans-58-39.1177.8-177.371000112F963 P978 N982 D983 V986 G987 A990F963-L980 HydrophobicContact CB-CD2 3.77Å; F963-L980 HydrophobicContact CD1-CD2 3.64Å; F963-L980 HydrophobicContact CD2-CD2 3.3Å; F963-L980 HydrophobicContact CE1-CD2 4.04Å; F963-L980 HydrophobicContact CE2-CD2 3.74Å; F963-L980 HydrophobicContact CG-CD2 3.27Å; F963-L980 HydrophobicContact CZ-CD2 4.1Å; P978-L980 PolarHBondContact O-N 3.44Å; L980-N982 PolarHBondContact O-N 3.26Å; L980-D983 WeakPolarHBondContact O-CB 3.47Å; L980-D983 PolarHBondContact O-N 3.18Å; L980-V986 HydrophobicContact CD1-CG2 3.45Å; L980-V986 VanDerWaalsContact CD1-CG2 3.45Å; L980-V986 HydrophobicContact CG-CG2 4.49Å; L980-G987 WeakPolarHBondContact O-CA 3.33Å; L980-A990 HydrophobicContact CD2-CB 3.69Å; L980-A990 HydrophobicContact CG-CB 3.72Å
981F79.5Confident59.9Low22 Ų2266 Ų6610%0.09633%0.333CS..G310 helixtrans-66.3-23.8178.1-77.20.7000114F963 F977 P978 K979 A990 K991 Y994F963-F981 HydrophobicContact CE1-CE1 4.18Å; F963-F981 HydrophobicContact CE2-CE1 4.25Å; F963-F981 AromaticContact CZ-CE1 3.53Å; F963-F981 HydrophobicContact CZ-CE1 3.53Å; F963-F981 AromaticContact CZ-CZ 3.99Å; F963-F981 HydrophobicContact CZ-CZ 3.99Å; F977-F981 HydrophobicContact CE1-CD2 4.37Å; F977-F981 AromaticContact CE1-CE2 3.63Å; F977-F981 HydrophobicContact CE1-CE2 3.63Å; F977-F981 HydrophobicContact CE1-CZ 4.16Å; F977-F981 HydrophobicContact CE2-CE1 4.24Å; F977-F981 AromaticContact CE2-CE2 3.85Å; F977-F981 HydrophobicContact CE2-CE2 3.85Å; F977-F981 AromaticContact CE2-CZ 3.54Å; F977-F981 HydrophobicContact CE2-CZ 3.54Å; F977-F981 HydrophobicContact CZ-CD2 4.16Å; F977-F981 HydrophobicContact CZ-CE1 4.3Å; F977-F981 AromaticContact CZ-CE2 3.16Å; F977-F981 HydrophobicContact CZ-CE2 3.16Å; F977-F981 AromaticContact CZ-CZ 3.22Å; F977-F981 HydrophobicContact CZ-CZ 3.22Å; P978-F981 HydrophobicContact CB-CB 4.25Å; P978-F981 HydrophobicContact CB-CD2 4.01Å; P978-F981 HydrophobicContact CB-CG 4.45Å; P978-F981 PolarHBondContact O-N 3.24Å; K979-F981 VanDerWaalsContact C-N 3.27Å; K979-F981 PolarHBondContact O-N 3.46Å; F981-A990 HydrophobicContact CD1-CB 3.91Å; F981-A990 HydrophobicContact CE1-CB 4.14Å; F981-A990 WeakPolarHBondContact CE1-O 3.42Å; F981-K991 HydrophobicContact CB-CD 4.45Å; F981-K991 HydrophobicContact CB-CG 3.92Å; F981-K991 HydrophobicContact CD1-CG 3.94Å; F981-K991 HydrophobicContact CD2-CG 4.19Å; F981-K991 HydrophobicContact CG-CG 3.74Å; F981-K991 WeakPolarHBondContact O-CE 3.5Å; F981-K991 PolarHBondContact O-NZ 3.17Å; F981-Y994 HydrophobicContact CE1-CD1 4.46Å; F981-Y994 HydrophobicContact CE1-CG 4.12Å; F981-Y994 AromaticContact CE2-CD1 3.73Å; F981-Y994 HydrophobicContact CE2-CD1 3.73Å; F981-Y994 HydrophobicContact CE2-CE1 4.04Å; F981-Y994 HydrophobicContact CE2-CG 4.13Å; F981-Y994 VanDerWaalsContact CZ-CB 3.47Å; F981-Y994 AromaticContact CZ-CD1 3.4Å; F981-Y994 HydrophobicContact CZ-CD1 3.4Å; F981-Y994 AromaticContact CZ-CD2 3.88Å; F981-Y994 HydrophobicContact CZ-CD2 3.88Å; F981-Y994 HydrophobicContact CZ-CE1 4.03Å; F981-Y994 HydrophobicContact CZ-CE2 4.45Å; F981-Y994 AromaticContact CZ-CG 3.31Å; F981-Y994 HydrophobicContact CZ-CG 3.31Å
982N69.8Low62.1Low106 Ų10663.6 Ų63.657%0.56733%0.327SS*.G310 helixtrans-95.5-1.4173.5-61.4-25.4000111.5K979 L980 P984K979-N982 CarbonylContact O-C 3.53Å; K979-N982 PolarHBondContact O-N 3.08Å; L980-N982 PolarHBondContact O-N 3.26Å; N982-P984 WeakPolarHBondContact O-CD 3.4Å
983D66.7Low64.7Low31 Ų3156.5 Ų56.517%0.16630%0.299CS..  trans-60130.4176.4-171.5-80.2000109K979 L980 D985 V986 G987K979-D983 PolarHBondContact O-N 2.69Å; L980-D983 WeakPolarHBondContact O-CB 3.47Å; L980-D983 PolarHBondContact O-N 3.18Å; D983-D985 PolarHBondContact OD1-N 3.3Å; D983-D985 VanDerWaalsContact OD1-N 3.09Å; D983-V986 HydrophobicContact CB-CG2 3.63Å; D983-V986 VanDerWaalsContact OD1-CG2 3.23Å; D983-V986 WeakPolarHBondContact OD1-CG2 3.39Å; D983-V986 PolarHBondContact OD1-N 3.14Å; D983-G987 WeakPolarHBondContact O-CA 3.29Å; D983-G987 PolarHBondContact O-N 3.28Å
984P64.3Low67.3Low8 Ų854.2 Ų54.25%0.05228%0.278CS..THydrogen-bonded Turntrans-59-47.9-17513.8-28.6000115.8R392 D427 D429 N982R392-P984 VanDerWaalsContact NH1-CA 3.26Å; R392-P984 PolarHBondContact NH1-O 3.2Å; R392-P984 VanDerWaalsContact NH2-CB 3.27Å; D427-P984 HydrophobicContact CB-CG 4.47Å; D427-P984 VanDerWaalsContact CG-CG 3.45Å; D427-P984 WeakPolarHBondContact OD1-CB 3.42Å; D427-P984 WeakPolarHBondContact OD1-CG 3.46Å; D427-P984 WeakPolarHBondContact OD2-CB 3.2Å; D429-P984 HydrophobicContact CB-CB 3.89Å; D429-P984 HydrophobicContact CB-CG 4.08Å; D429-P984 WeakPolarHBondContact OD2-CB 3.44Å; D429-P984 WeakPolarHBondContact OD2-CG 3.18Å; N982-P984 WeakPolarHBondContact O-CD 3.4Å
985D63.3Low70.4Confident64 Ų6450.6 Ų50.634%0.34227%0.265SS..THydrogen-bonded Turntrans-84.9-50.7-176.1-90-11.2000110.3D429 F719 D983D429-D985 VanDerWaalsContact OD1-CG 3.25Å; D429-D985 WeakPolarHBondContact OD2-CA 3.49Å; D429-D985 WeakPolarHBondContact OD2-CB 3.47Å; D429-D985 PolarHBondContact OD2-N 3.21Å; F719-D985 WeakPolarHBondContact CE2-O 3.45Å; F719-D985 HydrophobicContact CZ-CB 4.11Å; D983-D985 PolarHBondContact OD1-N 3.3Å; D983-D985 VanDerWaalsContact OD1-N 3.09Å
986V71Confident73Confident7 Ų746.7 Ų46.74%0.04225%0.253CS..THydrogen-bonded Turntrans-97.5-15-173.9-65.90000114.4F719 L968 L980 D983 E989 A990F719-V986 HydrophobicContact CD1-CG1 3.64Å; F719-V986 HydrophobicContact CD2-CG1 4.29Å; F719-V986 HydrophobicContact CE1-CG1 3.21Å; F719-V986 HydrophobicContact CE2-CG1 3.91Å; F719-V986 HydrophobicContact CG-CG1 4.17Å; F719-V986 HydrophobicContact CZ-CB 4.41Å; F719-V986 HydrophobicContact CZ-CG1 3.36Å; L968-V986 HydrophobicContact CD2-CB 4.11Å; L968-V986 HydrophobicContact CD2-CG1 4.12Å; L980-V986 HydrophobicContact CD1-CG2 3.45Å; L980-V986 VanDerWaalsContact CD1-CG2 3.45Å; L980-V986 HydrophobicContact CG-CG2 4.49Å; D983-V986 HydrophobicContact CB-CG2 3.63Å; D983-V986 VanDerWaalsContact OD1-CG2 3.23Å; D983-V986 WeakPolarHBondContact OD1-CG2 3.39Å; D983-V986 PolarHBondContact OD1-N 3.14Å; V986-E989 PolarHBondContact O-N 2.79Å; V986-A990 WeakPolarHBondContact O-CB 3.41Å; V986-A990 PolarHBondContact O-N 3.1Å
987G79.4Confident75.7Confident0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-66.6-40.9-169.400000116.3L980 D983 E989 A990 K991L980-G987 WeakPolarHBondContact O-CA 3.33Å; D983-G987 WeakPolarHBondContact O-CA 3.29Å; D983-G987 PolarHBondContact O-N 3.28Å; G987-E989 VanDerWaalsContact C-N 3.32Å; G987-E989 PolarHBondContact O-N 3.39Å; G987-A990 PolarHBondContact O-N 2.95Å; G987-K991 WeakPolarHBondContact O-CG 3.43Å; G987-K991 PolarHBondContact O-N 2.93Å
988P79.1Confident78.2Confident70 Ų7044.6 Ų44.646%0.45523%0.229SC..Hα-helixtrans-58-44.3171.3-2535.1000112.3K991 L992P988-K991 PolarHBondContact O-N 2.85Å; P988-L992 WeakPolarHBondContact O-CG 3.4Å; P988-L992 PolarHBondContact O-N 3.23Å; P988-L992 VanDerWaalsContact O-N 3.15Å
989E79.6Confident80.5Confident12 Ų1245.9 Ų45.96%0.05623%0.233CC..Hα-helixtrans-70.5-40.6179.2-165.760.9-145.800111.3F719 P721 Q722 L968 V986 G987 K991 L992 V993F719-E989 HydrophobicContact CB-CG 4.49Å; F719-E989 HydrophobicContact CD2-CB 4.42Å; P721-E989 HydrophobicContact CB-CG 4.12Å; P721-E989 WeakPolarHBondContact CB-OE1 3.35Å; P721-E989 HydrophobicContact CG-CG 4.14Å; Q722-E989 VanDerWaalsContact CG-CD 3.43Å; Q722-E989 HydrophobicContact CG-CG 4.13Å; Q722-E989 VanDerWaalsContact CG-OE2 3.27Å; Q722-E989 WeakPolarHBondContact CG-OE2 3.48Å; Q722-E989 PolarHBondContact NE2-OE2 2.62Å; L968-E989 HydrophobicContact CD2-CB 4.46Å; L968-E989 HydrophobicContact CD2-CG 4.38Å; V986-E989 PolarHBondContact O-N 2.79Å; G987-E989 VanDerWaalsContact C-N 3.32Å; G987-E989 PolarHBondContact O-N 3.39Å; E989-K991 VanDerWaalsContact C-N 3.29Å; E989-K991 PolarHBondContact O-N 3.33Å; E989-L992 WeakPolarHBondContact O-CB 3.42Å; E989-L992 PolarHBondContact O-N 2.78Å; E989-L992 VanDerWaalsContact O-N 3.08Å; E989-V993 HydrophobicContact CG-CG2 4.36Å; E989-V993 WeakPolarHBondContact O-CG2 3.3Å; E989-V993 PolarHBondContact O-N 3.37Å
990A84.2Confident82.1Confident0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-60.4-37.9175.100000112.2F963 L968 L980 F981 V986 G987 Y994F963-A990 HydrophobicContact CE1-CB 4.23Å; L968-A990 HydrophobicContact CD1-CB 4.17Å; L980-A990 HydrophobicContact CD2-CB 3.69Å; L980-A990 HydrophobicContact CG-CB 3.72Å; F981-A990 HydrophobicContact CD1-CB 3.91Å; F981-A990 HydrophobicContact CE1-CB 4.14Å; F981-A990 WeakPolarHBondContact CE1-O 3.42Å; V986-A990 WeakPolarHBondContact O-CB 3.41Å; V986-A990 PolarHBondContact O-N 3.1Å; G987-A990 PolarHBondContact O-N 2.95Å; A990-Y994 WeakPolarHBondContact O-CB 3.4Å; A990-Y994 PolarHBondContact O-N 3.08Å
991K87.7Confident83.4Confident100 Ų10041 Ų4144%0.43521%0.211SC..Hα-helixtrans-63.5-41.8172.7-77.7170.4176.2153.50112F981 G987 P988 E989 A995F981-K991 HydrophobicContact CB-CD 4.45Å; F981-K991 HydrophobicContact CB-CG 3.92Å; F981-K991 HydrophobicContact CD1-CG 3.94Å; F981-K991 HydrophobicContact CD2-CG 4.19Å; F981-K991 HydrophobicContact CG-CG 3.74Å; F981-K991 WeakPolarHBondContact O-CE 3.5Å; F981-K991 PolarHBondContact O-NZ 3.17Å; G987-K991 WeakPolarHBondContact O-CG 3.43Å; G987-K991 PolarHBondContact O-N 2.93Å; P988-K991 PolarHBondContact O-N 2.85Å; E989-K991 VanDerWaalsContact C-N 3.29Å; E989-K991 PolarHBondContact O-N 3.33Å; K991-A995 VanDerWaalsContact O-CB 3.31Å; K991-A995 WeakPolarHBondContact O-CB 3.27Å; K991-A995 PolarHBondContact O-N 3.27Å
992L85.9Confident84.1Confident90 Ų9045.6 Ų45.647%0.47123%0.233SC..Hα-helixtrans-66.6-51.4178.3-70.5171.8000111.4P988 E989 Y994 A995 D996P988-L992 WeakPolarHBondContact O-CG 3.4Å; P988-L992 PolarHBondContact O-N 3.23Å; P988-L992 VanDerWaalsContact O-N 3.15Å; E989-L992 WeakPolarHBondContact O-CB 3.42Å; E989-L992 PolarHBondContact O-N 2.78Å; E989-L992 VanDerWaalsContact O-N 3.08Å; L992-Y994 VanDerWaalsContact C-N 3.26Å; L992-Y994 PolarHBondContact O-N 3.01Å; L992-A995 PolarHBondContact O-N 3.14Å; L992-A995 VanDerWaalsContact O-N 3.13Å; L992-D996 WeakPolarHBondContact O-CB 3.14Å; L992-D996 VanDerWaalsContact O-CG 3.3Å; L992-D996 PolarHBondContact O-N 3.44Å
993V88.4Confident85.3Confident0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-59.2-40.61771770000110.7P721 F962 W966 L968 E989 D996 A997 M1108P721-V993 HydrophobicContact CB-CG2 3.56Å; P721-V993 HydrophobicContact CG-CG2 3.49Å; P721-V993 VanDerWaalsContact CG-CG2 3.49Å; F962-V993 HydrophobicContact CE1-CG1 3.79Å; F962-V993 HydrophobicContact CZ-CG1 3.88Å; W966-V993 HydrophobicContact CD2-CG1 4.18Å; W966-V993 HydrophobicContact CG-CG1 4.18Å; L968-V993 HydrophobicContact CD1-CB 4.35Å; L968-V993 HydrophobicContact CD1-CG2 4.16Å; E989-V993 HydrophobicContact CG-CG2 4.36Å; E989-V993 WeakPolarHBondContact O-CG2 3.3Å; E989-V993 PolarHBondContact O-N 3.37Å; V993-D996 PolarHBondContact O-N 3.42Å; V993-A997 WeakPolarHBondContact O-CB 3.32Å; V993-A997 PolarHBondContact O-N 3.26Å; V993-M1108 HydrophobicContact CG1-CE 3.92Å
994Y92.5Very high86.7Confident49 Ų4941.4 Ų41.419%0.19221%0.213CC..Hα-helixtrans-65.8-42.7175.1178.9-108.9000112.9W959 F963 F977 F981 A990 L992 A997 R998W959-Y994 HydrophobicContact CD2-CD2 4.05Å; W959-Y994 AromaticContact CD2-CE2 3.65Å; W959-Y994 HydrophobicContact CD2-CE2 3.65Å; W959-Y994 AromaticContact CE2-CE2 3.66Å; W959-Y994 AromaticContact CE3-CD2 3.73Å; W959-Y994 HydrophobicContact CE3-CD2 3.73Å; W959-Y994 AromaticContact CE3-CE2 3.79Å; W959-Y994 HydrophobicContact CE3-CE2 3.79Å; W959-Y994 HydrophobicContact CG-CE2 4.28Å; W959-Y994 HydrophobicContact CH2-CD2 4.24Å; W959-Y994 AromaticContact CH2-CE2 3.96Å; W959-Y994 HydrophobicContact CH2-CE2 3.96Å; W959-Y994 AromaticContact CZ2-CE2 3.83Å; W959-Y994 HydrophobicContact CZ2-CE2 3.83Å; W959-Y994 AromaticContact CZ3-CD2 3.83Å; W959-Y994 HydrophobicContact CZ3-CD2 3.83Å; W959-Y994 AromaticContact CZ3-CE2 3.94Å; W959-Y994 HydrophobicContact CZ3-CE2 3.94Å; F963-Y994 HydrophobicContact CZ-CD2 4.21Å; F977-Y994 HydrophobicContact CE2-CD2 4.43Å; F977-Y994 HydrophobicContact CE2-CE2 4.2Å; F977-Y994 HydrophobicContact CZ-CD1 4.43Å; F977-Y994 HydrophobicContact CZ-CD2 4.1Å; F977-Y994 HydrophobicContact CZ-CE1 4.01Å; F977-Y994 AromaticContact CZ-CE2 3.65Å; F977-Y994 HydrophobicContact CZ-CE2 3.65Å; F977-Y994 HydrophobicContact CZ-CG 4.47Å; F977-Y994 AromaticContact CZ-CZ 3.6Å; F981-Y994 HydrophobicContact CE1-CD1 4.46Å; F981-Y994 HydrophobicContact CE1-CG 4.12Å; F981-Y994 AromaticContact CE2-CD1 3.73Å; F981-Y994 HydrophobicContact CE2-CD1 3.73Å; F981-Y994 HydrophobicContact CE2-CE1 4.04Å; F981-Y994 HydrophobicContact CE2-CG 4.13Å; F981-Y994 VanDerWaalsContact CZ-CB 3.47Å; F981-Y994 AromaticContact CZ-CD1 3.4Å; F981-Y994 HydrophobicContact CZ-CD1 3.4Å; F981-Y994 AromaticContact CZ-CD2 3.88Å; F981-Y994 HydrophobicContact CZ-CD2 3.88Å; F981-Y994 HydrophobicContact CZ-CE1 4.03Å; F981-Y994 HydrophobicContact CZ-CE2 4.45Å; F981-Y994 AromaticContact CZ-CG 3.31Å; F981-Y994 HydrophobicContact CZ-CG 3.31Å; A990-Y994 WeakPolarHBondContact O-CB 3.4Å; A990-Y994 PolarHBondContact O-N 3.08Å; L992-Y994 VanDerWaalsContact C-N 3.26Å; L992-Y994 PolarHBondContact O-N 3.01Å; Y994-A997 PolarHBondContact O-N 3.08Å; Y994-R998 HydrophobicContact CD1-CG 4.1Å; Y994-R998 HydrophobicContact CD2-CG 4.22Å; Y994-R998 HydrophobicContact CE1-CG 3.74Å; Y994-R998 HydrophobicContact CE2-CG 3.87Å; Y994-R998 HydrophobicContact CG-CG 4.33Å; Y994-R998 WeakPolarHBondContact O-CB 3.39Å; Y994-R998 WeakPolarHBondContact O-CG 3.42Å; Y994-R998 PolarHBondContact O-N 2.9Å
995A92.4Very high88.1Confident41 Ų4142.2 Ų42.234%0.33922%0.217SC..Hα-helixtrans-62.6-44.7176.300000111.1K991 L992 A997 R998 N999K991-A995 VanDerWaalsContact O-CB 3.31Å; K991-A995 WeakPolarHBondContact O-CB 3.27Å; K991-A995 PolarHBondContact O-N 3.27Å; L992-A995 PolarHBondContact O-N 3.14Å; L992-A995 VanDerWaalsContact O-N 3.13Å; A995-A997 PolarHBondContact O-N 3.49Å; A995-R998 PolarHBondContact O-N 3.26Å; A995-N999 WeakPolarHBondContact O-CB 3.28Å; A995-N999 PolarHBondContact O-N 2.77Å; A995-N999 PolarHBondContact O-ND2 3.13Å
996D92.2Very high89.4Confident44 Ų4445 Ų4524%0.23523%0.232CC..Hα-helixtrans-60.6-45.2174.9-68.6-14.4000110.8K725 L992 V993 R998 N999 L1000 Y1104 M1108K725-D996 IonicContact NZ-OD2 2.71Å; K725-D996 PolarHBondContact NZ-OD2 3.35Å; K725-D996 VanDerWaalsContact NZ-OD2 3.17Å; L992-D996 WeakPolarHBondContact O-CB 3.14Å; L992-D996 VanDerWaalsContact O-CG 3.3Å; L992-D996 PolarHBondContact O-N 3.44Å; V993-D996 PolarHBondContact O-N 3.42Å; D996-R998 PolarHBondContact O-N 3.13Å; D996-N999 PolarHBondContact O-N 2.65Å; D996-L1000 WeakPolarHBondContact O-CB 3.31Å; D996-L1000 PolarHBondContact O-N 2.65Å; D996-Y1104 HydrophobicContact CB-CE1 4.15Å; D996-Y1104 WeakPolarHBondContact OD2-CE1 3.28Å; D996-Y1104 PolarHBondContact OD2-OH 3.36Å; D996-M1108 HydrophobicContact CB-CE 4.03Å
997A94.7Very high90.5Very high0 Ų051.6 Ų51.60%026%0.261CS..Hα-helixtrans-61.5-41.9176.500000112.1W959 F962 V993 Y994 A995 L1001 M1108 L1112W959-A997 HydrophobicContact CH2-CB 4.37Å; W959-A997 HydrophobicContact CZ3-CB 3.98Å; F962-A997 HydrophobicContact CE1-CB 4.12Å; F962-A997 HydrophobicContact CE2-CB 4.14Å; F962-A997 HydrophobicContact CZ-CB 3.55Å; V993-A997 WeakPolarHBondContact O-CB 3.32Å; V993-A997 PolarHBondContact O-N 3.26Å; Y994-A997 PolarHBondContact O-N 3.08Å; A995-A997 PolarHBondContact O-N 3.49Å; A997-L1001 WeakPolarHBondContact O-CB 3.39Å; A997-L1001 PolarHBondContact O-N 3.42Å; A997-M1108 HydrophobicContact CB-CE 4.29Å; A997-M1108 HydrophobicContact CB-SD 3.62Å; A997-L1112 HydrophobicContact CB-CD2 4.26Å
998R95.2Very high90.9Very high105 Ų10555.7 Ų55.740%0.39629%0.289SS..Hα-helixtrans-65.2-44176.6-75.8-69.7-59.4-176.94.2111.8Y994 A995 D996 L1001 E1002Y994-R998 HydrophobicContact CD1-CG 4.1Å; Y994-R998 HydrophobicContact CD2-CG 4.22Å; Y994-R998 HydrophobicContact CE1-CG 3.74Å; Y994-R998 HydrophobicContact CE2-CG 3.87Å; Y994-R998 HydrophobicContact CG-CG 4.33Å; Y994-R998 WeakPolarHBondContact O-CB 3.39Å; Y994-R998 WeakPolarHBondContact O-CG 3.42Å; Y994-R998 PolarHBondContact O-N 2.9Å; A995-R998 PolarHBondContact O-N 3.26Å; D996-R998 PolarHBondContact O-N 3.13Å; R998-L1001 PolarHBondContact O-N 3.14Å; R998-E1002 WeakPolarHBondContact O-CB 3.4Å; R998-E1002 PolarHBondContact O-N 3.31Å
999N94.8Very high91.6Very high91 Ų9155.4 Ų55.449%0.48728%0.283SS..Hα-helixtrans-64.9-43178-67.9-22.9000111.6A995 D996 T1003A995-N999 WeakPolarHBondContact O-CB 3.28Å; A995-N999 PolarHBondContact O-N 2.77Å; A995-N999 PolarHBondContact O-ND2 3.13Å; D996-N999 PolarHBondContact O-N 2.65Å; N999-T1003 PolarHBondContact O-N 2.94Å; N999-T1003 PolarHBondContact O-OG1 3.13Å
1000L94.7Very high92.4Very high17 Ų1755 Ų559%0.08928%0.282CS..Hα-helixtrans-68.2-41175.8-177.560.8000111.2D996 T1003 I1004 F1097 M1108 A1109 L1112D996-L1000 WeakPolarHBondContact O-CB 3.31Å; D996-L1000 PolarHBondContact O-N 2.65Å; L1000-T1003 CarbonylContact O-C 3.51Å; L1000-T1003 WeakPolarHBondContact O-CB 3.45Å; L1000-T1003 PolarHBondContact O-N 3.07Å; L1000-I1004 HydrophobicContact CD1-CG1 4.46Å; L1000-I1004 HydrophobicContact CG-CD1 3.98Å; L1000-I1004 HydrophobicContact CG-CG1 4.39Å; L1000-I1004 VanDerWaalsContact O-CG1 3.28Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.42Å; L1000-I1004 PolarHBondContact O-N 3.42Å; L1000-F1097 HydrophobicContact CD1-CZ 4.36Å; L1000-M1108 HydrophobicContact CD2-CB 4.16Å; L1000-M1108 HydrophobicContact CD2-CG 3.67Å; L1000-A1109 HydrophobicContact CD2-CB 4.45Å; L1000-L1112 HydrophobicContact CB-CD1 4.09Å; L1000-L1112 HydrophobicContact CD2-CD1 3.93Å; L1000-L1112 HydrophobicContact CG-CD1 4.02Å
1001L96.1Very high92.9Very high4 Ų460.7 Ų60.72%0.02130%0.303CS..Hα-helixtrans-60.7-44.6176.1-179.662.3000111.7V954 I957 W959 A997 R998 T1003 I1004 V1005 L1112 L1116V954-L1001 HydrophobicContact CG1-CD2 4.09Å; V954-L1001 HydrophobicContact CG2-CD2 4.15Å; V954-L1001 HydrophobicContact CG2-CG 4.46Å; I957-L1001 HydrophobicContact CD1-CD2 3.83Å; W959-L1001 HydrophobicContact CH2-CD2 4.3Å; W959-L1001 HydrophobicContact CZ2-CD2 4.3Å; A997-L1001 WeakPolarHBondContact O-CB 3.39Å; A997-L1001 PolarHBondContact O-N 3.42Å; R998-L1001 PolarHBondContact O-N 3.14Å; L1001-T1003 VanDerWaalsContact C-N 3.31Å; L1001-T1003 PolarHBondContact O-N 3.17Å; L1001-I1004 WeakPolarHBondContact O-CB 3.37Å; L1001-I1004 PolarHBondContact O-N 2.98Å; L1001-V1005 HydrophobicContact CD1-CG2 4.5Å; L1001-V1005 WeakPolarHBondContact O-CG2 3.37Å; L1001-V1005 PolarHBondContact O-N 2.97Å; L1001-L1112 HydrophobicContact CB-CD1 4.31Å; L1001-L1112 HydrophobicContact CB-CD2 4.46Å; L1001-L1116 HydrophobicContact CD1-CD1 4.13Å; L1001-L1116 HydrophobicContact CD1-CD2 4.3Å; L1001-L1116 HydrophobicContact CD1-CG 4.49Å
1002E95.4Very high93.3Very high118 Ų11855.9 Ų55.955%0.55128%0.282SS*.Hα-helixtrans-58.2-44.9173.3-175.1172.4-156.700110.8R998 I1004 V1005 D1006R998-E1002 WeakPolarHBondContact O-CB 3.4Å; R998-E1002 PolarHBondContact O-N 3.31Å; E1002-I1004 PolarHBondContact O-N 3.43Å; E1002-V1005 PolarHBondContact O-N 3.27Å; E1002-D1006 WeakPolarHBondContact O-CB 3.09Å; E1002-D1006 PolarHBondContact O-N 2.97Å
1003T94.3Very high93.9Very high49 Ų4953.7 Ų53.730%0.30127%0.269SS..Hα-helixtrans-62.7-40175.6-57.20000112.8N999 L1000 L1001 K1007 L1009N999-T1003 PolarHBondContact O-N 2.94Å; N999-T1003 PolarHBondContact O-OG1 3.13Å; L1000-T1003 CarbonylContact O-C 3.51Å; L1000-T1003 WeakPolarHBondContact O-CB 3.45Å; L1000-T1003 PolarHBondContact O-N 3.07Å; L1001-T1003 VanDerWaalsContact C-N 3.31Å; L1001-T1003 PolarHBondContact O-N 3.17Å; T1003-K1007 HydrophobicContact CG2-CD 3.86Å; T1003-K1007 HydrophobicContact CG2-CG 4.46Å; T1003-K1007 WeakPolarHBondContact O-CB 3.26Å; T1003-K1007 PolarHBondContact O-N 3.49Å; T1003-L1009 HydrophobicContact CG2-CD1 4.17Å
1004I95.1Very high94.4Very high0 Ų053.7 Ų53.70%027%0.269CS..Hα-helixtrans-62.1-44.7177.4-74.4165.6000110.3L950 L1000 L1001 E1002 S1008 L1009 L1010 M1093 L1112L950-I1004 HydrophobicContact CD1-CG2 3.94Å; L1000-I1004 HydrophobicContact CD1-CG1 4.46Å; L1000-I1004 HydrophobicContact CG-CD1 3.98Å; L1000-I1004 HydrophobicContact CG-CG1 4.39Å; L1000-I1004 VanDerWaalsContact O-CG1 3.28Å; L1000-I1004 WeakPolarHBondContact O-CG1 3.42Å; L1000-I1004 PolarHBondContact O-N 3.42Å; L1001-I1004 WeakPolarHBondContact O-CB 3.37Å; L1001-I1004 PolarHBondContact O-N 2.98Å; E1002-I1004 PolarHBondContact O-N 3.43Å; I1004-S1008 CarbonylContact O-C 3.6Å; I1004-S1008 VanDerWaalsContact O-CA 3.25Å; I1004-S1008 WeakPolarHBondContact O-CA 3.38Å; I1004-S1008 PolarHBondContact O-N 2.99Å; I1004-L1009 HydrophobicContact CG1-CB 4.42Å; I1004-L1009 HydrophobicContact CG1-CD1 4.38Å; I1004-L1009 PolarHBondContact O-N 3.23Å; I1004-L1010 HydrophobicContact CD1-CD1 4.2Å; I1004-L1010 HydrophobicContact CG2-CB 3.89Å; I1004-L1010 HydrophobicContact CG2-CD1 3.93Å; I1004-L1010 HydrophobicContact CG2-CG 3.85Å; I1004-M1093 HydrophobicContact CD1-CE 4.04Å; I1004-M1093 HydrophobicContact CG1-CE 3.83Å; I1004-M1093 HydrophobicContact CG1-SD 4.47Å; I1004-L1112 HydrophobicContact CD1-CD1 4.05Å
1005V93.4Very high94.7Very high25 Ų2551.4 Ų51.415%0.15226%0.26CS..Hα-helixtrans-68-54.1179.3174.50000110.4L950 Q951 L1001 E1002 K1007 S1008L950-V1005 HydrophobicContact CB-CG2 4.05Å; Q951-V1005 HydrophobicContact CB-CG1 4.35Å; L1001-V1005 HydrophobicContact CD1-CG2 4.5Å; L1001-V1005 WeakPolarHBondContact O-CG2 3.37Å; L1001-V1005 PolarHBondContact O-N 2.97Å; E1002-V1005 PolarHBondContact O-N 3.27Å; V1005-K1007 VanDerWaalsContact C-N 3.31Å; V1005-K1007 PolarHBondContact O-N 3.16Å; V1005-S1008 PolarHBondContact O-N 3.04Å
1006D92.4Very high94.9Very high123 Ų12349.5 Ų49.566%0.65824%0.244SC*.Hα-helixtrans-62.4-35.6-174.7-76.8-9000113.4E1002E1002-D1006 WeakPolarHBondContact O-CB 3.09Å; E1002-D1006 PolarHBondContact O-N 2.97Å
1007K92.2Very high95.2Very high146 Ų14647.4 Ų47.464%0.63523%0.233SC*.THydrogen-bonded Turntrans-101.32.6-179.1-59.7-177.8-176.6172.10113.4T1003 V1005 L1009T1003-K1007 HydrophobicContact CG2-CD 3.86Å; T1003-K1007 HydrophobicContact CG2-CG 4.46Å; T1003-K1007 WeakPolarHBondContact O-CB 3.26Å; T1003-K1007 PolarHBondContact O-N 3.49Å; V1005-K1007 VanDerWaalsContact C-N 3.31Å; V1005-K1007 PolarHBondContact O-N 3.16Å; K1007-L1009 VanDerWaalsContact C-N 3.25Å; K1007-L1009 HydrophobicContact CB-CD2 3.91Å; K1007-L1009 HydrophobicContact CB-CG 3.95Å; K1007-L1009 PolarHBondContact O-N 3.41Å
1008S89.6Confident95.3Very high85 Ų8547.4 Ų47.459%0.59423%0.233SC*.THydrogen-bonded Turntrans48.745.5-177-50.10000113I1004 V1005 L1010I1004-S1008 CarbonylContact O-C 3.6Å; I1004-S1008 VanDerWaalsContact O-CA 3.25Å; I1004-S1008 WeakPolarHBondContact O-CA 3.38Å; I1004-S1008 PolarHBondContact O-N 2.99Å; V1005-S1008 PolarHBondContact O-N 3.04Å; S1008-L1010 VanDerWaalsContact C-N 3.26Å; S1008-L1010 PolarHBondContact O-N 3.02Å
1009L93.7Very high95.4Very high65 Ų6543 Ų4334%0.3422%0.216SC..  trans-69.7-26.6-177.5-60.2-179.4000112.4T1003 I1004 K1007 M1093T1003-L1009 HydrophobicContact CG2-CD1 4.17Å; I1004-L1009 HydrophobicContact CG1-CB 4.42Å; I1004-L1009 HydrophobicContact CG1-CD1 4.38Å; I1004-L1009 PolarHBondContact O-N 3.23Å; K1007-L1009 VanDerWaalsContact C-N 3.25Å; K1007-L1009 HydrophobicContact CB-CD2 3.91Å; K1007-L1009 HydrophobicContact CB-CG 3.95Å; K1007-L1009 PolarHBondContact O-N 3.41Å; L1009-M1093 HydrophobicContact CB-CE 4.3Å; L1009-M1093 HydrophobicContact CB-CG 4.26Å; L1009-M1093 HydrophobicContact CB-SD 3.6Å; L1009-M1093 VanDerWaalsContact CB-SD 3.6Å; L1009-M1093 HydrophobicContact CD1-CE 4.03Å; L1009-M1093 HydrophobicContact CD1-SD 4.35Å
1010L96Very high95.5Very high3 Ų338.6 Ų38.62%0.01619%0.193CC..SBendtrans-116.1150172-62.6179.8000109.8L950 I1004 S1008 L1088 L1090 M1093 A1113 L1116L950-L1010 HydrophobicContact CD1-CB 4.14Å; L950-L1010 WeakPolarHBondContact CD1-O 3.36Å; I1004-L1010 HydrophobicContact CD1-CD1 4.2Å; I1004-L1010 HydrophobicContact CG2-CB 3.89Å; I1004-L1010 HydrophobicContact CG2-CD1 3.93Å; I1004-L1010 HydrophobicContact CG2-CG 3.85Å; S1008-L1010 VanDerWaalsContact C-N 3.26Å; S1008-L1010 PolarHBondContact O-N 3.02Å; L1010-L1088 CarbonylContact C-O 3.57Å; L1010-L1088 WeakPolarHBondContact CA-O 3.41Å; L1010-L1090 HydrophobicContact CD2-CB 3.92Å; L1010-M1093 HydrophobicContact CD2-SD 3.65Å; L1010-M1093 HydrophobicContact CG-SD 3.88Å; L1010-A1113 HydrophobicContact CD1-CB 3.9Å; L1010-L1116 HydrophobicContact CD1-CD1 4.29Å
1011R94.8Very high95.6Very high119 Ų11937.8 Ų37.845%0.44919%0.189SC..EExtended strand (participates in β ladder)trans-123.3140.3173.4-63.4-179.5-66.3143.9-2.5110.6D947 L1088D947-R1011 WeakPolarHBondContact OD1-CD 3.25Å; D947-R1011 IonicContact OD1-NH1 3.37Å; R1011-L1088 HydrophobicContact CB-CB 4.1Å; R1011-L1088 HydrophobicContact CB-CD1 4.47Å; R1011-L1088 PolarHBondContact N-O 2.88Å; R1011-L1088 WeakPolarHBondContact O-CB 3.49Å
1012A96.8Very high95.6Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-107.9135.1179.500000111.8D947 Y948 L950 L953 T1085 A1086 F1120D947-A1012 WeakPolarHBondContact CA-O 3.21Å; D947-A1012 PolarHBondContact N-O 3.24Å; Y948-A1012 PolarHBondContact N-O 2.83Å; L950-A1012 HydrophobicContact CD2-CB 3.66Å; L953-A1012 HydrophobicContact CD1-CB 4.43Å; A1012-T1085 CarbonylContact C-O 3.55Å; A1012-T1085 VanDerWaalsContact CA-O 3.22Å; A1012-T1085 WeakPolarHBondContact CA-O 3.34Å; A1012-A1086 HydrophobicContact CB-CB 4.49Å; A1012-F1120 HydrophobicContact CB-CD1 4.1Å; A1012-F1120 HydrophobicContact CB-CE1 3.78Å; A1012-F1120 HydrophobicContact CB-CZ 4.42Å
1013K98.1Very high95.6Very high44 Ų4432.6 Ų32.619%0.19117%0.166CC..EExtended strand (participates in β ladder)trans-135.7141.3174.1-67.7-167.8174.6-137.90111.5F945 D946 V1084 T1085 L1088 F1120F945-K1013 VanDerWaalsContact O-CA 3.3Å; F945-K1013 WeakPolarHBondContact O-CA 3.44Å; D946-K1013 WeakPolarHBondContact OD1-CE 3.37Å; D946-K1013 IonicContact OD1-NZ 3.73Å; D946-K1013 PolarHBondContact OD1-NZ 2.68Å; K1013-V1084 WeakPolarHBondContact O-CA 3.47Å; K1013-T1085 HydrophobicContact CB-CG2 4.26Å; K1013-T1085 PolarHBondContact N-O 2.83Å; K1013-T1085 PolarHBondContact O-N 3.15Å; K1013-L1088 HydrophobicContact CB-CD1 4.37Å; K1013-L1088 HydrophobicContact CD-CD1 3.81Å; K1013-L1088 HydrophobicContact CG-CD1 3.78Å; K1013-F1120 VanDerWaalsContact C-CE1 3.45Å; K1013-F1120 WeakPolarHBondContact O-CE1 3.28Å
1014A98Very high95.5Very high0 Ų035.4 Ų35.40%017%0.171CC..EExtended strand (participates in β ladder)trans-136.4148.9176.200000111.8F945 A1083 V1084 F1120 M1124F945-A1014 HydrophobicContact CB-CB 4.2Å; F945-A1014 HydrophobicContact CD2-CB 4.18Å; F945-A1014 PolarHBondContact N-O 3.12Å; F945-A1014 PolarHBondContact O-N 2.89Å; A1014-A1083 WeakPolarHBondContact CA-O 3.27Å; A1014-V1084 HydrophobicContact CB-CB 4.19Å; A1014-V1084 HydrophobicContact CB-CG1 3.56Å; A1014-F1120 HydrophobicContact CB-CD1 4.45Å; A1014-F1120 HydrophobicContact CB-CE1 3.61Å; A1014-F1120 HydrophobicContact CB-CE2 4.02Å; A1014-F1120 HydrophobicContact CB-CZ 3.35Å; A1014-M1124 HydrophobicContact CB-CG 4.14Å; A1014-M1124 HydrophobicContact CB-SD 4.11Å
1015V98.5Very high95.3Very high0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-128.6129.7166.660.50000108.7I942 F1082 A1083 L1176 V1178 N1181 A1182I942-V1015 HydrophobicContact CG2-CG2 3.53Å; V1015-F1082 VanDerWaalsContact O-CA 3.27Å; V1015-F1082 WeakPolarHBondContact O-CA 3.16Å; V1015-A1083 HydrophobicContact CG1-CB 4.03Å; V1015-A1083 PolarHBondContact N-O 2.86Å; V1015-A1083 PolarHBondContact O-N 2.8Å; V1015-L1176 HydrophobicContact CG1-CB 4.13Å; V1015-L1176 HydrophobicContact CG1-CD1 4.14Å; V1015-L1176 HydrophobicContact CG2-CB 4.06Å; V1015-V1178 HydrophobicContact CG1-CG2 4.15Å; V1015-N1181 HydrophobicContact CB-CB 4.12Å; V1015-N1181 HydrophobicContact CG2-CB 4.07Å; V1015-A1182 HydrophobicContact CG1-CB 4.06Å
1016V98.1Very high95.4Very high2 Ų239.5 Ų39.51%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-123136.6176.3175.30000108.1R943 F945 M1081 F1082 M1124 V1128 Y1202R943-V1016 PolarHBondContact N-O 3.2Å; R943-V1016 PolarHBondContact O-N 3.27Å; F945-V1016 HydrophobicContact CE2-CG2 4.32Å; V1016-M1081 WeakPolarHBondContact CA-O 3.46Å; V1016-F1082 HydrophobicContact CG2-CB 4.14Å; V1016-M1124 HydrophobicContact CG2-SD 4.3Å; V1016-V1128 HydrophobicContact CG1-CG2 3.8Å; V1016-Y1202 HydrophobicContact CG1-CE2 4.36Å
1017G97.4Very high95.5Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-131.7143.917200000112.2G941 G1080 M1081G941-G1017 WeakPolarHBondContact O-CA 3.42Å; G1017-G1080 CarbonylContact O-C 3.54Å; G1017-G1080 VanDerWaalsContact O-CA 3.28Å; G1017-G1080 WeakPolarHBondContact O-CA 3.43Å; G1017-M1081 PolarHBondContact N-O 2.78Å; G1017-M1081 PolarHBondContact O-N 3.02Å
1018I97.7Very high95.8Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-125.6125.6172.5-59.2177.5000107.8P937 V940 G941 Y1078 I1132 W1133P937-I1018 HydrophobicContact CB-CD1 4.3Å; P937-I1018 HydrophobicContact CB-CG2 3.94Å; P937-I1018 HydrophobicContact CG-CG2 3.65Å; V940-I1018 WeakPolarHBondContact CG1-O 3.48Å; G941-I1018 PolarHBondContact N-O 2.89Å; G941-I1018 PolarHBondContact O-N 3.47Å; I1018-Y1078 HydrophobicContact CG2-CD1 4.41Å; I1018-I1132 HydrophobicContact CD1-CG2 3.88Å; I1018-W1133 HydrophobicContact CD1-CB 3.85Å; I1018-W1133 HydrophobicContact CD1-CD2 4.29Å; I1018-W1133 HydrophobicContact CD1-CE3 4.17Å; I1018-W1133 HydrophobicContact CD1-CG 4.19Å
1019F97Very high96.1Very high11 Ų1123.5 Ų23.55%0.04811%0.106CC..EExtended strand (participates in β ladder)trans-128.7143.1-174.9-59.5-84.4000110.8I942 A1021 V1030 Y1078 V1079 L1175 L1176I942-F1019 HydrophobicContact CG1-CZ 3.95Å; F1019-A1021 PolarHBondContact O-N 3.37Å; F1019-V1030 HydrophobicContact CB-CG1 3.51Å; F1019-V1030 HydrophobicContact CG-CG1 4Å; F1019-Y1078 VanDerWaalsContact O-CA 3.26Å; F1019-Y1078 WeakPolarHBondContact O-CA 3.33Å; F1019-Y1078 WeakPolarHBondContact O-CB 3.47Å; F1019-V1079 PolarHBondContact N-O 2.8Å; F1019-V1079 PolarHBondContact O-N 2.88Å; F1019-L1175 HydrophobicContact CE2-CB 4.39Å; F1019-L1175 HydrophobicContact CZ-CB 4.39Å; F1019-L1176 HydrophobicContact CE2-CD2 3.87Å; F1019-L1176 HydrophobicContact CZ-CD2 4.18Å
1020P96.4Very high96.3Very high0 Ų020.4 Ų20.40%09%0.09CC..EExtended strand (participates in β ladder)trans-58.2135.8169.1-18.229.8000110.4V940 F1031 E1034 Y1037 Y1078V940-P1020 HydrophobicContact CG1-CG 4.29Å; P1020-F1031 HydrophobicContact CB-CB 4.42Å; P1020-F1031 WeakPolarHBondContact CD-O 3.32Å; P1020-F1031 PolarHBondContact O-N 2.88Å; P1020-E1034 HydrophobicContact CG-CG 4.13Å; P1020-Y1037 HydrophobicContact CB-CD2 3.82Å; P1020-Y1037 HydrophobicContact CB-CE2 4.13Å; P1020-Y1078 HydrophobicContact CB-CD1 4.26Å; P1020-Y1078 HydrophobicContact CB-CE1 4.21Å; P1020-Y1078 HydrophobicContact CG-CD1 4.27Å; P1020-Y1078 HydrophobicContact CG-CE1 4.06Å
1021A96.6Very high96.3Very high0 Ų020.2 Ų20.20%09%0.09CC..EExtended strand (participates in β ladder)trans-143.8150.7-17600000112.4F1019 I1028 L1029 Y1037 I1068 D1077 V1079F1019-A1021 PolarHBondContact O-N 3.37Å; A1021-I1028 HydrophobicContact CB-CG2 3.9Å; A1021-L1029 CarbonylContact C-O 3.5Å; A1021-L1029 WeakPolarHBondContact CA-O 3.45Å; A1021-L1029 WeakPolarHBondContact CB-O 3.3Å; A1021-Y1037 PolarHBondContact O-OH 2.84Å; A1021-Y1037 VanDerWaalsContact O-OH 3.08Å; A1021-I1068 HydrophobicContact CB-CG2 4.33Å; A1021-D1077 PolarHBondContact N-O 3.37Å; A1021-D1077 CarbonylContact O-C 3.59Å; A1021-D1077 VanDerWaalsContact O-O 3.09Å; A1021-V1079 HydrophobicContact CB-CB 3.99Å; A1021-V1079 HydrophobicContact CB-CG1 3.79Å
1022A95.7Very high96Very high0 Ų019.5 Ų19.50%09%0.094CC..EExtended strand (participates in β ladder)trans-139.4144.5172.600000110.3L1029 F1031 S1069 M1071A1022-L1029 PolarHBondContact N-O 3.47Å; A1022-L1029 WeakPolarHBondContact O-CB 3.07Å; A1022-L1029 PolarHBondContact O-N 2.86Å; A1022-F1031 HydrophobicContact CB-CE2 4.08Å; A1022-S1069 CarbonylContact C-O 3.56Å; A1022-S1069 VanDerWaalsContact CA-O 3.31Å; A1022-S1069 WeakPolarHBondContact CA-O 3.47Å; A1022-M1071 HydrophobicContact CB-CB 4.2Å
1023S95.2Very high95.6Very high12 Ų1221.1 Ų21.18%0.08411%0.106CC..EExtended strand (participates in β ladder)trans-82.4147.1174.560.30000111.9D1027 S1065 I1068 S1069 P1070 M1071S1023-D1027 WeakPolarHBondContact CA-O 3.33Å; S1023-S1065 VanDerWaalsContact CB-O 3.26Å; S1023-S1065 WeakPolarHBondContact CB-O 3.39Å; S1023-I1068 WeakPolarHBondContact CB-O 3.15Å; S1023-I1068 PolarHBondContact OG-O 2.86Å; S1023-S1069 PolarHBondContact N-O 3.44Å; S1023-S1069 PolarHBondContact OG-O 3.42Å; S1023-P1070 WeakPolarHBondContact O-CA 3.48Å; S1023-P1070 VanDerWaalsContact OG-CA 3.22Å; S1023-P1070 WeakPolarHBondContact OG-CA 3.32Å; S1023-M1071 PolarHBondContact O-N 3.06Å
1024R93.2Very high95Very high108 Ų10821.7 Ų21.741%0.40811%0.109SC..EExtended strand (participates in β ladder)trans-141.2107.8168.8-176.7178.667.3-169.61.1108.1D1026 D1027 L1029R1024-D1026 PolarHBondContact O-N 2.82Å; R1024-D1026 VanDerWaalsContact O-N 3.12Å; R1024-D1027 PolarHBondContact N-O 3.41Å; R1024-D1027 PolarHBondContact O-N 3.04Å; R1024-L1029 HydrophobicContact CB-CD1 3.97Å; R1024-L1029 HydrophobicContact CB-CG 4.22Å
1025D91.2Very high94.4Very high110 Ų11029.8 Ų29.859%0.58815%0.152SC*.THydrogen-bonded Turntrans52.1-112.7-169.9-57.8-49.4000111.1S1065D1025-S1065 PolarHBondContact O-OG 3.06Å
1026D94.8Very high93.6Very high1 Ų134 Ų341%0.00517%0.171CC..THydrogen-bonded Turntrans-98.32.7-177.5-53.2-33.8000112.9R921 R1024 G1047 R1049 S1065R921-D1026 IonicContact CZ-OD2 3.69Å; R921-D1026 IonicContact NE-OD1 3.78Å; R921-D1026 IonicContact NE-OD2 2.66Å; R921-D1026 PolarHBondContact NE-OD2 3.34Å; R921-D1026 IonicContact NH2-OD2 3.46Å; R921-D1026 PolarHBondContact NH2-OD2 3.03Å; R1024-D1026 PolarHBondContact O-N 2.82Å; R1024-D1026 VanDerWaalsContact O-N 3.12Å; D1026-G1047 WeakPolarHBondContact O-CA 3.27Å; D1026-G1047 PolarHBondContact O-N 3.28Å; D1026-R1049 IonicContact OD1-CZ 3.43Å; D1026-R1049 IonicContact OD1-NE 3.41Å; D1026-R1049 PolarHBondContact OD1-NE 3.34Å; D1026-R1049 IonicContact OD1-NH2 3.85Å; D1026-R1049 PolarHBondContact OD1-NH2 3Å; D1026-S1065 WeakPolarHBondContact CA-OG 3.38Å
1027D95.6Very high92.9Very high9 Ų934.9 Ų34.95%0.04818%0.175CC..EExtended strand (participates in β ladder)trans-104.1153.8-179.6-69.9-32000112S1023 R1024 V1044 L1045 H1046 R1247S1023-D1027 WeakPolarHBondContact CA-O 3.33Å; R1024-D1027 PolarHBondContact N-O 3.41Å; R1024-D1027 PolarHBondContact O-N 3.04Å; D1027-V1044 HydrophobicContact CB-CG1 3.82Å; D1027-L1045 WeakPolarHBondContact CA-O 3.17Å; D1027-H1046 WeakPolarHBondContact OD1-CA 3.38Å; D1027-H1046 IonicContact OD1-CE1 2.82Å; D1027-H1046 IonicContact OD1-CG 2.74Å; D1027-H1046 IonicContact OD1-ND1 3.69Å; D1027-H1046 PolarHBondContact OD1-ND1 3.25Å; D1027-H1046 IonicContact OD2-ND1 2.7Å; D1027-R1247 IonicContact OD1-CZ 3.19Å; D1027-R1247 IonicContact OD1-NH1 2.79Å; D1027-R1247 PolarHBondContact OD1-NH1 2.74Å; D1027-R1247 VanDerWaalsContact OD2-CD 3.26Å; D1027-R1247 WeakPolarHBondContact OD2-CD 3.38Å
1028I97.2Very high92.1Very high7 Ų739.1 Ų39.14%0.03620%0.197CC..EExtended strand (participates in β ladder)trans-111.4117.1167.6-57.6165.8000107.9A1021 V1044 L1045 I1068 F1203A1021-I1028 HydrophobicContact CB-CG2 3.9Å; I1028-V1044 WeakPolarHBondContact O-CA 3.37Å; I1028-L1045 HydrophobicContact CB-CB 4.22Å; I1028-L1045 PolarHBondContact N-O 2.79Å; I1028-L1045 PolarHBondContact O-N 3.28Å; I1028-I1068 HydrophobicContact CD1-CG1 4.07Å; I1028-I1068 HydrophobicContact CG1-CG1 4.26Å; I1028-I1068 HydrophobicContact CG2-CG1 4.36Å; I1028-I1068 HydrophobicContact CG2-CG2 4.5Å; I1028-F1203 HydrophobicContact CD1-CE1 3.72Å; I1028-F1203 HydrophobicContact CD1-CZ 3.75Å
1029L96.9Very high91.5Very high2 Ų241.1 Ų41.11%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-86.9127.1177.4-51.5-178000109A1021 A1022 R1024 F1031 P1041 V1044 M1071A1021-L1029 CarbonylContact C-O 3.5Å; A1021-L1029 WeakPolarHBondContact CA-O 3.45Å; A1021-L1029 WeakPolarHBondContact CB-O 3.3Å; A1022-L1029 PolarHBondContact N-O 3.47Å; A1022-L1029 WeakPolarHBondContact O-CB 3.07Å; A1022-L1029 PolarHBondContact O-N 2.86Å; R1024-L1029 HydrophobicContact CB-CD1 3.97Å; R1024-L1029 HydrophobicContact CB-CG 4.22Å; L1029-F1031 HydrophobicContact CB-CE2 4.1Å; L1029-F1031 HydrophobicContact CB-CZ 3.94Å; L1029-P1041 HydrophobicContact CB-CB 4.2Å; L1029-P1041 HydrophobicContact CD2-CG 4.41Å; L1029-V1044 HydrophobicContact CD2-CG1 4.12Å; L1029-V1044 HydrophobicContact CD2-CG2 3.95Å; L1029-M1071 HydrophobicContact CD1-SD 3.86Å
1030V97.2Very high91.1Very high0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-109.5135.4-178.7-173.50000109.8F1019 P1041 V1042 A1043 L1045 V1079 M1081 L1175F1019-V1030 HydrophobicContact CB-CG1 3.51Å; F1019-V1030 HydrophobicContact CG-CG1 4Å; V1030-P1041 CarbonylContact O-C 3.57Å; V1030-P1041 VanDerWaalsContact O-CA 3.29Å; V1030-P1041 WeakPolarHBondContact O-CA 3.48Å; V1030-P1041 WeakPolarHBondContact O-CB 3.42Å; V1030-V1042 HydrophobicContact CG1-CG2 4.36Å; V1030-V1042 WeakPolarHBondContact O-CG2 3.28Å; V1030-V1042 PolarHBondContact O-N 3.02Å; V1030-A1043 HydrophobicContact CB-CB 4.34Å; V1030-A1043 PolarHBondContact N-O 3.19Å; V1030-L1045 HydrophobicContact CG2-CD1 4.36Å; V1030-L1045 HydrophobicContact CG2-CG 4.47Å; V1030-V1079 HydrophobicContact CG2-CG1 4.13Å; V1030-M1081 HydrophobicContact CG2-CE 4.1Å; V1030-L1175 HydrophobicContact CG1-CD1 4.16Å
1031F95.6Very high91Very high0 Ų049.5 Ų49.50%026%0.259CS..  trans-118.6152.2-178.2-53.6-82.7000111.2P1020 A1022 L1029 E1036 Y1037 P1041P1020-F1031 HydrophobicContact CB-CB 4.42Å; P1020-F1031 WeakPolarHBondContact CD-O 3.32Å; P1020-F1031 PolarHBondContact O-N 2.88Å; A1022-F1031 HydrophobicContact CB-CE2 4.08Å; L1029-F1031 HydrophobicContact CB-CE2 4.1Å; L1029-F1031 HydrophobicContact CB-CZ 3.94Å; F1031-E1036 VanDerWaalsContact CD1-O 3.29Å; F1031-E1036 WeakPolarHBondContact CD1-O 3.45Å; F1031-Y1037 HydrophobicContact CD2-CD2 4.35Å; F1031-P1041 HydrophobicContact CE1-CB 4.26Å
1032D88.6Confident90.9Very high103 Ų10353 Ų5355%0.55128%0.28SS*.SBendtrans-71-36.5179-162.541.1000112V1042D1032-V1042 HydrophobicContact CB-CG1 3.83Å
1033S88.6Confident90.9Very high35 Ų3553.8 Ų53.825%0.24529%0.287CS..SBendtrans-148.8160.7-178.876.30000113L1035 E1036 Y1037S1033-L1035 PolarHBondContact O-N 2.82Å; S1033-L1035 VanDerWaalsContact O-N 3.15Å; S1033-L1035 PolarHBondContact OG-N 2.85Å; S1033-E1036 PolarHBondContact O-N 2.95Å; S1033-Y1037 PolarHBondContact O-N 2.9Å
1034E85.7Confident91Very high56 Ų5654.9 Ų54.926%0.26229%0.293SS..THydrogen-bonded Turntrans-61.3-19.6175.1-87-164.3-122.900114.3K936 P1020 E1036 Y1037 K1076 Y1078K936-E1034 WeakPolarHBondContact CE-OE1 3.23Å; K936-E1034 IonicContact NZ-OE1 3.56Å; K936-E1034 PolarHBondContact NZ-OE1 3.41Å; K936-E1034 IonicContact NZ-OE2 3.39Å; P1020-E1034 HydrophobicContact CG-CG 4.13Å; E1034-E1036 VanDerWaalsContact C-N 3.33Å; E1034-Y1037 VanDerWaalsContact O-CB 3.26Å; E1034-Y1037 WeakPolarHBondContact O-CB 3.19Å; E1034-K1076 HydrophobicContact CG-CD 4.38Å; E1034-K1076 PolarHBondContact O-NZ 3.02Å; E1034-K1076 VanDerWaalsContact O-NZ 3.16Å; E1034-K1076 IonicContact OE2-NZ 2.98Å; E1034-K1076 PolarHBondContact OE2-NZ 3.15Å; E1034-Y1078 VanDerWaalsContact CD-OH 3.31Å; E1034-Y1078 HydrophobicContact CG-CE1 4.41Å; E1034-Y1078 PolarHBondContact OE1-OH 3.42Å
1035L84.7Confident91.1Very high170 Ų17049.9 Ų49.989%0.8928%0.275SS*.THydrogen-bonded Turntrans-75.2-27.3176.5-66.4173.2000111.6S1033 Y1037S1033-L1035 PolarHBondContact O-N 2.82Å; S1033-L1035 VanDerWaalsContact O-N 3.15Å; S1033-L1035 PolarHBondContact OG-N 2.85Å; L1035-Y1037 VanDerWaalsContact C-N 3.32Å
1036E82.9Confident91.4Very high88 Ų8845.8 Ų45.841%0.41125%0.252SS..SBendtrans-93.26.4176.9-61-174.9174.500112.2F1031 S1033 E1034 N1038 G1039F1031-E1036 VanDerWaalsContact CD1-O 3.29Å; F1031-E1036 WeakPolarHBondContact CD1-O 3.45Å; S1033-E1036 PolarHBondContact O-N 2.95Å; E1034-E1036 VanDerWaalsContact C-N 3.33Å; E1036-N1038 PolarHBondContact O-N 3.19Å; E1036-G1039 WeakPolarHBondContact O-CA 3.31Å; E1036-G1039 PolarHBondContact O-N 3.14Å
1037Y83.9Confident91.3Very high20 Ų2046 Ų468%0.07826%0.255CS..THydrogen-bonded Turntrans-60.1124.4177.4-156.6-83.1000109.9P1020 A1021 F1031 S1033 E1034 L1035 K1076 D1077P1020-Y1037 HydrophobicContact CB-CD2 3.82Å; P1020-Y1037 HydrophobicContact CB-CE2 4.13Å; A1021-Y1037 PolarHBondContact O-OH 2.84Å; A1021-Y1037 VanDerWaalsContact O-OH 3.08Å; F1031-Y1037 HydrophobicContact CD2-CD2 4.35Å; S1033-Y1037 PolarHBondContact O-N 2.9Å; E1034-Y1037 VanDerWaalsContact O-CB 3.26Å; E1034-Y1037 WeakPolarHBondContact O-CB 3.19Å; L1035-Y1037 VanDerWaalsContact C-N 3.32Å; Y1037-K1076 HydrophobicContact CD1-CD 4.44Å; Y1037-K1076 HydrophobicContact CD1-CG 4.21Å; Y1037-K1076 HydrophobicContact CD2-CD 4.13Å; Y1037-K1076 HydrophobicContact CD2-CG 4.32Å; Y1037-K1076 HydrophobicContact CE1-CB 4.47Å; Y1037-K1076 HydrophobicContact CE1-CG 4.02Å; Y1037-K1076 HydrophobicContact CE2-CB 3.94Å; Y1037-K1076 HydrophobicContact CE2-CD 4.37Å; Y1037-K1076 HydrophobicContact CE2-CG 4.11Å; Y1037-K1076 HydrophobicContact CG-CD 4.17Å; Y1037-K1076 HydrophobicContact CG-CG 4.37Å; Y1037-K1076 WeakPolarHBondContact OH-CA 3.47Å; Y1037-D1077 PolarHBondContact OH-N 2.91Å; Y1037-D1077 VanDerWaalsContact OH-N 3.13Å
1038N80.2Confident91.3Very high90 Ų9045.7 Ų45.748%0.48125%0.253SS..THydrogen-bonded Turntrans75.86.5-167.1-46-62.1000116.3E1036 M1071E1036-N1038 PolarHBondContact O-N 3.19Å; N1038-M1071 WeakPolarHBondContact OD1-CG 3.42Å
1039G84.9Confident91.2Very high42 Ų4245.6 Ų45.643%0.43325%0.252SS..SBendtrans-85.4-153.5173.500000113.3E1036E1036-G1039 WeakPolarHBondContact O-CA 3.31Å; E1036-G1039 PolarHBondContact O-N 3.14Å
1040Q89.2Confident91.2Very high162 Ų16246.8 Ų46.876%0.75726%0.257SS*.  trans-76.4123.7171.7-176.263.822.800109
1041P93.5Very high90.9Very high24 Ų2446.8 Ų46.816%0.15626%0.257CS..  trans-66.6144.6176.827.6-34.9000111.1L1029 V1030 F1031 A1043 V1044L1029-P1041 HydrophobicContact CB-CB 4.2Å; L1029-P1041 HydrophobicContact CD2-CG 4.41Å; V1030-P1041 CarbonylContact O-C 3.57Å; V1030-P1041 VanDerWaalsContact O-CA 3.29Å; V1030-P1041 WeakPolarHBondContact O-CA 3.48Å; V1030-P1041 WeakPolarHBondContact O-CB 3.42Å; F1031-P1041 HydrophobicContact CE1-CB 4.26Å; P1041-A1043 VanDerWaalsContact C-N 3.35Å; P1041-V1044 HydrophobicContact CB-CG2 4.44Å; P1041-V1044 HydrophobicContact CG-CG2 4.14Å
1042V94.6Very high90.7Very high73 Ų7349.7 Ų49.744%0.44227%0.272SS..SBendtrans-76.8-27173-62.50000112V1030 D1032 L1175V1030-V1042 HydrophobicContact CG1-CG2 4.36Å; V1030-V1042 WeakPolarHBondContact O-CG2 3.28Å; V1030-V1042 PolarHBondContact O-N 3.02Å; D1032-V1042 HydrophobicContact CB-CG1 3.83Å; V1042-L1175 HydrophobicContact CG2-CD2 3.9Å
1043A95.3Very high90.6Very high18 Ų1848.4 Ų48.415%0.14927%0.267CS..EExtended strand (participates in β ladder)trans-155.2160.517800000110.5V1030 P1041 T1171 L1175V1030-A1043 HydrophobicContact CB-CB 4.34Å; V1030-A1043 PolarHBondContact N-O 3.19Å; P1041-A1043 VanDerWaalsContact C-N 3.35Å; A1043-T1171 HydrophobicContact CB-CG2 3.87Å; A1043-L1175 HydrophobicContact CB-CD1 3.79Å; A1043-L1175 HydrophobicContact CB-CD2 3.88Å; A1043-L1175 HydrophobicContact CB-CG 4.02Å
1044V96.2Very high90.3Very high34 Ų3447.8 Ų47.821%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-130.1129.9175.6-176.40000108D1027 I1028 L1029 P1041 H1046D1027-V1044 HydrophobicContact CB-CG1 3.82Å; I1028-V1044 WeakPolarHBondContact O-CA 3.37Å; L1029-V1044 HydrophobicContact CD2-CG1 4.12Å; L1029-V1044 HydrophobicContact CD2-CG2 3.95Å; P1041-V1044 HydrophobicContact CB-CG2 4.44Å; P1041-V1044 HydrophobicContact CG-CG2 4.14Å; V1044-H1046 VanDerWaalsContact CG1-CE1 3.46Å; V1044-H1046 WeakPolarHBondContact CG1-CE1 3.4Å
1045L97Very high89.9Confident4 Ų449.4 Ų49.42%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-96.8129.1168.4-64.6165000108.6D1027 I1028 V1030 V1079 M1081 E1168 T1171 L1201D1027-L1045 WeakPolarHBondContact CA-O 3.17Å; I1028-L1045 HydrophobicContact CB-CB 4.22Å; I1028-L1045 PolarHBondContact N-O 2.79Å; I1028-L1045 PolarHBondContact O-N 3.28Å; V1030-L1045 HydrophobicContact CG2-CD1 4.36Å; V1030-L1045 HydrophobicContact CG2-CG 4.47Å; L1045-V1079 HydrophobicContact CD1-CG2 4.47Å; L1045-M1081 HydrophobicContact CD1-CE 3.75Å; L1045-M1081 HydrophobicContact CD2-CE 4.42Å; L1045-M1081 HydrophobicContact CG-CE 4.31Å; L1045-E1168 VanDerWaalsContact CA-OE2 3.25Å; L1045-E1168 WeakPolarHBondContact CA-OE2 3.37Å; L1045-T1171 HydrophobicContact CD2-CG2 3.75Å; L1045-T1171 HydrophobicContact CG-CG2 4.38Å; L1045-L1201 HydrophobicContact CD1-CD1 3.91Å; L1045-L1201 HydrophobicContact CD1-CD2 3.96Å; L1045-L1201 HydrophobicContact CD2-CD2 4.43Å
1046H96Very high89.6Confident24 Ų2445.2 Ų45.211%0.11125%0.247CC..EExtended strand (participates in β ladder)trans-103.8110.8-170-64.8-70000112.3D1027 V1044 Q1163 E1168 Y1244 K1248D1027-H1046 WeakPolarHBondContact OD1-CA 3.38Å; D1027-H1046 IonicContact OD1-CE1 2.82Å; D1027-H1046 IonicContact OD1-CG 2.74Å; D1027-H1046 IonicContact OD1-ND1 3.69Å; D1027-H1046 PolarHBondContact OD1-ND1 3.25Å; D1027-H1046 IonicContact OD2-ND1 2.7Å; V1044-H1046 VanDerWaalsContact CG1-CE1 3.46Å; V1044-H1046 WeakPolarHBondContact CG1-CE1 3.4Å; H1046-Q1163 PolarHBondContact O-NE2 2.83Å; H1046-E1168 IonicContact CD2-OE1 3.19Å; H1046-E1168 PolarHBondContact N-OE2 3Å; H1046-Y1244 HydrophobicContact CB-CE2 3.99Å; H1046-Y1244 PolarHBondContact O-OH 3.14Å; H1046-Y1244 VanDerWaalsContact O-OH 3.12Å; H1046-K1248 HydrophobicContact CB-CD 3.85Å; H1046-K1248 HydrophobicContact CB-CG 4.48Å; H1046-K1248 WeakPolarHBondContact CD2-CD 3.38Å
1047G94.3Very high89.3Confident6 Ų650.3 Ų50.36%0.06227%0.267CS..  trans-88156.1178.300000114.4D1026 Y1244 R1247D1026-G1047 WeakPolarHBondContact O-CA 3.27Å; D1026-G1047 PolarHBondContact O-N 3.28Å; G1047-Y1244 WeakPolarHBondContact O-CE2 3.46Å; G1047-R1247 PolarHBondContact O-NH1 2.83Å; G1047-R1247 VanDerWaalsContact O-NH1 3.1Å; G1047-R1247 PolarHBondContact O-NH2 2.91Å; G1047-R1247 VanDerWaalsContact O-NH2 3.1Å
1048L95.1Very high89.1Confident1 Ų153.4 Ų53.41%0.00530%0.297CS..  trans-110.8143.3167-71.7166.4000109.6C1063 P1164 V1213 I1216 Q1220 Y1244 L1259L1048-C1063 PolarHBondContact O-SG 3.47Å; L1048-P1164 HydrophobicContact CD1-CG 3.58Å; L1048-V1213 HydrophobicContact CB-CG1 3.82Å; L1048-V1213 HydrophobicContact CB-CG2 4.06Å; L1048-I1216 HydrophobicContact CD1-CD1 4.47Å; L1048-I1216 HydrophobicContact CD2-CD1 3.87Å; L1048-Q1220 HydrophobicContact CD2-CG 4.25Å; L1048-Y1244 HydrophobicContact CD2-CD2 3.36Å; L1048-Y1244 HydrophobicContact CD2-CE2 3.65Å; L1048-Y1244 HydrophobicContact CD2-CG 3.87Å; L1048-Y1244 HydrophobicContact CG-CD2 3.95Å; L1048-Y1244 HydrophobicContact CG-CE2 3.67Å; L1048-L1259 HydrophobicContact CD1-CD1 4.42Å; L1048-L1259 HydrophobicContact CD1-CD2 3.92Å
1049R94.8Very high89.5Confident5 Ų550.6 Ų50.62%0.01928%0.281CS..  trans-110.2144-178.6-173.4171-63.8-79.2-1.6111.2A920 A924 D1026 Q1051 Y1061 C1063 D1066 Q1220A920-R1049 HydrophobicContact CB-CG 4.28Å; A924-R1049 VanDerWaalsContact CB-NH1 3.33Å; D1026-R1049 IonicContact OD1-CZ 3.43Å; D1026-R1049 IonicContact OD1-NE 3.41Å; D1026-R1049 PolarHBondContact OD1-NE 3.34Å; D1026-R1049 IonicContact OD1-NH2 3.85Å; D1026-R1049 PolarHBondContact OD1-NH2 3Å; R1049-Q1051 PolarHBondContact O-N 2.86Å; R1049-Y1061 PolarHBondContact NH1-O 3.18Å; R1049-C1063 HydrophobicContact CB-CB 4.19Å; R1049-C1063 HydrophobicContact CG-CB 4.36Å; R1049-C1063 VanDerWaalsContact CZ-CB 3.48Å; R1049-D1066 IonicContact CZ-OD1 3.68Å; R1049-D1066 IonicContact CZ-OD2 3.67Å; R1049-D1066 VanDerWaalsContact NH1-CG 3.33Å; R1049-D1066 IonicContact NH1-OD1 2.72Å; R1049-D1066 PolarHBondContact NH1-OD1 3.05Å; R1049-D1066 IonicContact NH1-OD2 2.84Å; R1049-D1066 PolarHBondContact NH1-OD2 3.34Å; R1049-D1066 IonicContact NH2-OD1 3.19Å; R1049-D1066 PolarHBondContact NH2-OD1 3.43Å; R1049-D1066 IonicContact NH2-OD2 2.64Å; R1049-Q1220 PolarHBondContact O-NE2 3.49Å; R1049-Q1220 PolarHBondContact O-OE1 3.46Å
1050Q96Very high90Very high27 Ų2750.2 Ų50.213%0.12627%0.271CS..  trans-57.1134.6170.9-66.1-176.4-42.900110.9Y1061 L1062 F1211 S1212Q1050-Y1061 HydrophobicContact CB-CD1 4.15Å; Q1050-Y1061 VanDerWaalsContact O-CD1 3.28Å; Q1050-Y1061 WeakPolarHBondContact O-CD1 3.44Å; Q1050-L1062 PolarHBondContact N-O 2.63Å; Q1050-L1062 VanDerWaalsContact N-O 3.14Å; Q1050-L1062 VanDerWaalsContact OE1-N 3.16Å; Q1050-F1211 HydrophobicContact CG-CD2 4.33Å; Q1050-S1212 PolarHBondContact NE2-O 2.85Å
1051Q92.3Very high90.3Very high0 Ų043.3 Ų43.30%024%0.238CC..  trans-125.6-11.9175-72.3-175-75.800114.1F914 V915 A920 R1049 V1053 D1219F914-Q1051 CarbonylContact C-O 3.47Å; F914-Q1051 VanDerWaalsContact CA-O 3.25Å; F914-Q1051 WeakPolarHBondContact CA-O 3.39Å; F914-Q1051 HydrophobicContact CD1-CB 4.13Å; V915-Q1051 PolarHBondContact N-O 3.47Å; V915-Q1051 PolarHBondContact O-NE2 2.97Å; A920-Q1051 HydrophobicContact CB-CG 4.46Å; R1049-Q1051 PolarHBondContact O-N 2.86Å; Q1051-V1053 PolarHBondContact O-N 2.86Å; Q1051-D1219 PolarHBondContact NE2-OD1 3.43Å
1052M90.7Very high90.4Very high62 Ų6242.6 Ų42.631%0.30523%0.233SC..BIsolated β-bridgetrans-65.3127.2177.7-70178.954.700110.5Y912 F914 K1054 Y1061 K1215Y912-M1052 HydrophobicContact CD1-CE 3.45Å; Y912-M1052 VanDerWaalsContact CD1-CE 3.45Å; Y912-M1052 HydrophobicContact CD1-SD 4.26Å; Y912-M1052 HydrophobicContact CE1-CE 3.5Å; Y912-M1052 VanDerWaalsContact CE1-CE 3.5Å; Y912-M1052 HydrophobicContact CE1-SD 4.35Å; F914-M1052 HydrophobicContact CD1-CG 4.22Å; F914-M1052 HydrophobicContact CE1-CG 3.83Å; M1052-K1054 PolarHBondContact O-N 2.9Å; M1052-K1054 VanDerWaalsContact O-N 3.16Å; M1052-Y1061 VanDerWaalsContact O-CE1 3.27Å; M1052-Y1061 WeakPolarHBondContact O-CE1 3.47Å; M1052-K1215 HydrophobicContact CG-CB 4.41Å; M1052-K1215 HydrophobicContact SD-CB 4.05Å
1053V86.4Confident90.5Very high75 Ų7539.1 Ų39.146%0.45521%0.212SC..PPolyproline II helixtrans-54.2120.2178.7171.60000109.6R913 V915 Q1051R913-V1053 HydrophobicContact CB-CB 4.17Å; R913-V1053 HydrophobicContact CB-CG2 3.77Å; R913-V1053 WeakPolarHBondContact O-CG2 3.35Å; R913-V1053 PolarHBondContact O-N 3.33Å; V915-V1053 HydrophobicContact CG1-CG2 3.78Å; Q1051-V1053 PolarHBondContact O-N 2.86Å
1054K83.6Confident90.6Very high23 Ų2338.6 Ų38.610%0.121%0.206CC..PPolyproline II helixtrans-83.3143.7175-58.4-170.4174.4-161.30110.8M1052 E1059 P1060 Y1061M1052-K1054 PolarHBondContact O-N 2.9Å; M1052-K1054 VanDerWaalsContact O-N 3.16Å; K1054-E1059 HydrophobicContact CD-CB 3.63Å; K1054-P1060 WeakPolarHBondContact CE-O 3.36Å; K1054-P1060 PolarHBondContact NZ-O 2.61Å; K1054-Y1061 HydrophobicContact CG-CE1 4.11Å
1055E76.1Confident90.6Very high90 Ų9037 Ų3742%0.42120%0.197SC..SBendtrans-63.2-44.7177.2-53.4-158.811300112.1Y286 D287 K1057Y286-E1055 PolarHBondContact N-OE2 3.03Å; Y286-E1055 VanDerWaalsContact O-OE2 3.05Å; D287-E1055 VanDerWaalsContact CA-CD 3.42Å; D287-E1055 VanDerWaalsContact CA-OE1 3.29Å; D287-E1055 WeakPolarHBondContact CA-OE1 3.19Å; D287-E1055 WeakPolarHBondContact OD1-CG 3.35Å; E1055-K1057 PolarHBondContact O-N 2.66Å
1056N79.5Confident90.6Very high82 Ų8237.6 Ų37.644%0.43920%0.2SC..SBendtrans-87.4104.1174.4-175.24.2000109.5A1058 E1059N1056-A1058 PolarHBondContact O-N 3.04Å; N1056-A1058 WeakPolarHBondContact OD1-CB 3.42Å; N1056-A1058 PolarHBondContact OD1-N 3.02Å; N1056-A1058 VanDerWaalsContact OD1-N 3.08Å; N1056-E1059 HydrophobicContact CB-CG 4.09Å; N1056-E1059 PolarHBondContact O-N 3.37Å
1057K75.5Confident90.5Very high194 Ų19436.5 Ų36.584%0.84320%0.195SC*.THydrogen-bonded Turntrans-60.3-13.1177.2-66-173.8179.1-178.50114.3E1055E1055-K1057 PolarHBondContact O-N 2.66Å
1058A80.3Confident90.6Very high85 Ų8536.3 Ų36.370%0.70219%0.193SC*.THydrogen-bonded Turntrans-82.9-13.8175.500000113.5N1056N1056-A1058 PolarHBondContact O-N 3.04Å; N1056-A1058 WeakPolarHBondContact OD1-CB 3.42Å; N1056-A1058 PolarHBondContact OD1-N 3.02Å; N1056-A1058 VanDerWaalsContact OD1-N 3.08Å
1059E89.1Confident90.5Very high31 Ų3136.3 Ų36.315%0.14519%0.192CC..SBendtrans-77.2133.3177.8-75.4173.6-161.600111.5F283 K1054 N1056F283-E1059 VanDerWaalsContact CB-OE1 3.3Å; F283-E1059 WeakPolarHBondContact CB-OE1 3.37Å; F283-E1059 WeakPolarHBondContact CD2-OE2 3.45Å; F283-E1059 WeakPolarHBondContact CE2-OE2 3.34Å; F283-E1059 WeakPolarHBondContact CG-OE1 3.32Å; K1054-E1059 HydrophobicContact CD-CB 3.63Å; N1056-E1059 HydrophobicContact CB-CG 4.09Å; N1056-E1059 PolarHBondContact O-N 3.37Å
1060P93.9Very high90.4Very high34 Ų3438.5 Ų38.522%0.22121%0.207CC..  trans-74.8149-179.230-34.5000111.8N923 L925 K1054 L1062N923-P1060 CarbonylContact O-C 3.4Å; N923-P1060 VanDerWaalsContact O-CA 3.28Å; N923-P1060 WeakPolarHBondContact O-CA 3.5Å; L925-P1060 HydrophobicContact CB-CB 3.99Å; L925-P1060 HydrophobicContact CB-CG 4.14Å; L925-P1060 HydrophobicContact CD1-CG 4.04Å; K1054-P1060 WeakPolarHBondContact CE-O 3.36Å; K1054-P1060 PolarHBondContact NZ-O 2.61Å; P1060-L1062 HydrophobicContact CB-CD2 4.38Å; P1060-L1062 HydrophobicContact CG-CD2 3.94Å; P1060-L1062 PolarHBondContact O-N 2.89Å
1061Y95.3Very high90.1Very high17 Ų1741.3 Ų41.37%0.06722%0.221CC..  trans-83.9106.1170.6-66.1-92.5000109.5V915 A920 N923 R1049 Q1050 M1052 K1054V915-Y1061 HydrophobicContact CG1-CE1 4.46Å; V915-Y1061 WeakPolarHBondContact CG1-OH 3.33Å; V915-Y1061 HydrophobicContact CG2-CD1 4.17Å; V915-Y1061 HydrophobicContact CG2-CE1 3.64Å; V915-Y1061 HydrophobicContact CG2-CE2 4.28Å; A920-Y1061 HydrophobicContact CB-CD1 4.45Å; A920-Y1061 HydrophobicContact CB-CG 4.14Å; N923-Y1061 HydrophobicContact CB-CD2 3.79Å; N923-Y1061 HydrophobicContact CB-CE2 4.11Å; N923-Y1061 PolarHBondContact O-N 3.11Å; R1049-Y1061 PolarHBondContact NH1-O 3.18Å; Q1050-Y1061 HydrophobicContact CB-CD1 4.15Å; Q1050-Y1061 VanDerWaalsContact O-CD1 3.28Å; Q1050-Y1061 WeakPolarHBondContact O-CD1 3.44Å; M1052-Y1061 VanDerWaalsContact O-CE1 3.27Å; M1052-Y1061 WeakPolarHBondContact O-CE1 3.47Å; K1054-Y1061 HydrophobicContact CG-CE1 4.11Å
1062L96.6Very high89.9Confident10 Ų1044.3 Ų44.35%0.05225%0.252CS..  trans-79.7146.4-167.5-62.4174.7000113.5L925 Q1050 P1060 F1211L925-L1062 HydrophobicContact CB-CD2 3.79Å; L925-L1062 HydrophobicContact CD2-CD2 4.19Å; L925-L1062 HydrophobicContact CG-CD2 4.5Å; Q1050-L1062 PolarHBondContact N-O 2.63Å; Q1050-L1062 VanDerWaalsContact N-O 3.14Å; Q1050-L1062 VanDerWaalsContact OE1-N 3.16Å; P1060-L1062 HydrophobicContact CB-CD2 4.38Å; P1060-L1062 HydrophobicContact CG-CD2 3.94Å; P1060-L1062 PolarHBondContact O-N 2.89Å; L1062-F1211 HydrophobicContact CB-CD1 4.13Å; L1062-F1211 HydrophobicContact CB-CD2 3.97Å; L1062-F1211 HydrophobicContact CB-CE1 4.18Å; L1062-F1211 HydrophobicContact CB-CE2 4.03Å; L1062-F1211 HydrophobicContact CB-CG 4.05Å; L1062-F1211 HydrophobicContact CB-CZ 4.15Å; L1062-F1211 HydrophobicContact CD1-CB 3.97Å; L1062-F1211 HydrophobicContact CD1-CD1 4.16Å; L1062-F1211 HydrophobicContact CD1-CG 4.01Å
1063C96.7Very high89.7Confident0 Ų042.4 Ų42.40%025%0.245CC..  trans-137.2154.1162.3-169.90000109.5L1048 R1049 S1065 D1066L1048-C1063 PolarHBondContact O-SG 3.47Å; R1049-C1063 HydrophobicContact CB-CB 4.19Å; R1049-C1063 HydrophobicContact CG-CB 4.36Å; R1049-C1063 VanDerWaalsContact CZ-CB 3.48Å; C1063-S1065 PolarHBondContact O-N 2.82Å; C1063-D1066 PolarHBondContact N-OD2 3.16Å; C1063-D1066 VanDerWaalsContact O-CB 3.28Å; C1063-D1066 WeakPolarHBondContact O-CB 3.34Å; C1063-D1066 PolarHBondContact O-N 3.11Å
1064L97Very high89.6Confident6 Ų644.2 Ų44.23%0.03126%0.259CS..G310 helixtrans-61-28.2176.9-75.7175.6000112.9D1066 F1067 I1154 P1156 C1162 Q1163 F1203 F1211L1064-D1066 PolarHBondContact O-N 3.39Å; L1064-F1067 HydrophobicContact CD2-CD2 4.27Å; L1064-F1067 HydrophobicContact CD2-CE2 4.24Å; L1064-F1067 PolarHBondContact O-N 3.11Å; L1064-I1154 HydrophobicContact CD2-CD1 4.25Å; L1064-P1156 HydrophobicContact CD1-CG 4.35Å; L1064-P1156 HydrophobicContact CD2-CG 4.06Å; L1064-C1162 HydrophobicContact CD2-CB 4.31Å; L1064-C1162 HydrophobicContact CG-CB 4.45Å; L1064-Q1163 HydrophobicContact CD1-CB 3.87Å; L1064-F1203 HydrophobicContact CB-CZ 4.09Å; L1064-F1203 HydrophobicContact CD2-CE2 4.21Å; L1064-F1203 HydrophobicContact CD2-CZ 4.28Å; L1064-F1203 WeakPolarHBondContact O-CE1 3.3Å; L1064-F1211 HydrophobicContact CD2-CE1 4.03Å; L1064-F1211 HydrophobicContact CG-CE1 4.28Å; L1064-F1211 HydrophobicContact CG-CZ 4.3Å
1065S96.5Very high89.8Confident1 Ų144.8 Ų44.81%0.00726%0.264CS..G310 helixtrans-63.3-23.717662.90000113.1S1023 D1025 D1026 C1063 F1067 I1068S1023-S1065 VanDerWaalsContact CB-O 3.26Å; S1023-S1065 WeakPolarHBondContact CB-O 3.39Å; D1025-S1065 PolarHBondContact O-OG 3.06Å; D1026-S1065 WeakPolarHBondContact CA-OG 3.38Å; C1063-S1065 PolarHBondContact O-N 2.82Å; S1065-F1067 PolarHBondContact O-N 3.22Å; S1065-I1068 PolarHBondContact O-N 3.07Å; S1065-I1068 VanDerWaalsContact O-N 3.11Å
1066D96Very high90.5Very high16 Ų1644.5 Ų44.59%0.08626%0.261CS..G310 helixtrans-66-20.7-179.2-59-18.9000112.3L925 R1049 C1063 L1064 I1068L925-D1066 HydrophobicContact CB-CB 4.1Å; R1049-D1066 IonicContact CZ-OD1 3.68Å; R1049-D1066 IonicContact CZ-OD2 3.67Å; R1049-D1066 VanDerWaalsContact NH1-CG 3.33Å; R1049-D1066 IonicContact NH1-OD1 2.72Å; R1049-D1066 PolarHBondContact NH1-OD1 3.05Å; R1049-D1066 IonicContact NH1-OD2 2.84Å; R1049-D1066 PolarHBondContact NH1-OD2 3.34Å; R1049-D1066 IonicContact NH2-OD1 3.19Å; R1049-D1066 PolarHBondContact NH2-OD1 3.43Å; R1049-D1066 IonicContact NH2-OD2 2.64Å; C1063-D1066 PolarHBondContact N-OD2 3.16Å; C1063-D1066 VanDerWaalsContact O-CB 3.28Å; C1063-D1066 WeakPolarHBondContact O-CB 3.34Å; C1063-D1066 PolarHBondContact O-N 3.11Å; L1064-D1066 PolarHBondContact O-N 3.39Å; D1066-I1068 VanDerWaalsContact C-N 3.33Å
1067F95.2Very high91.2Very high1 Ų141 Ų410%0.00424%0.242CC..G310 helixtrans-86.5-2.9178.7-54.8-41.1000113.7L925 L1064 S1065 I1154 F1203 N1205 Q1207 A1208 F1211L925-F1067 HydrophobicContact CD2-CD1 4.11Å; L925-F1067 HydrophobicContact CD2-CE1 3.73Å; L1064-F1067 HydrophobicContact CD2-CD2 4.27Å; L1064-F1067 HydrophobicContact CD2-CE2 4.24Å; L1064-F1067 PolarHBondContact O-N 3.11Å; S1065-F1067 PolarHBondContact O-N 3.22Å; F1067-I1154 HydrophobicContact CD2-CD1 4.27Å; F1067-I1154 HydrophobicContact CE2-CD1 4.08Å; F1067-F1203 HydrophobicContact CB-CD1 3.93Å; F1067-N1205 HydrophobicContact CB-CB 4.29Å; F1067-N1205 WeakPolarHBondContact O-CB 3.16Å; F1067-N1205 PolarHBondContact O-ND2 3.24Å; F1067-N1205 VanDerWaalsContact O-ND2 3.08Å; F1067-Q1207 WeakPolarHBondContact CE1-O 3.42Å; F1067-A1208 HydrophobicContact CB-CB 4.16Å; F1067-A1208 HydrophobicContact CD1-CB 4.12Å; F1067-A1208 HydrophobicContact CD2-CB 3.82Å; F1067-A1208 HydrophobicContact CE1-CB 4.5Å; F1067-A1208 HydrophobicContact CE2-CB 4.21Å; F1067-A1208 HydrophobicContact CG-CB 3.77Å; F1067-F1211 HydrophobicContact CE2-CD1 4.4Å; F1067-F1211 HydrophobicContact CE2-CE1 4.06Å; F1067-F1211 HydrophobicContact CZ-CD1 4.48Å; F1067-F1211 HydrophobicContact CZ-CE1 4.42Å
1068I95.4Very high92.2Very high3 Ų332.1 Ų32.12%0.01520%0.204CC..SBendtrans-113.7138.5178.6-60.2-65.4000109.9A1021 S1023 I1028 S1065 D1066 D1077 Y1078 F1203A1021-I1068 HydrophobicContact CB-CG2 4.33Å; S1023-I1068 WeakPolarHBondContact CB-O 3.15Å; S1023-I1068 PolarHBondContact OG-O 2.86Å; I1028-I1068 HydrophobicContact CD1-CG1 4.07Å; I1028-I1068 HydrophobicContact CG1-CG1 4.26Å; I1028-I1068 HydrophobicContact CG2-CG1 4.36Å; I1028-I1068 HydrophobicContact CG2-CG2 4.5Å; S1065-I1068 PolarHBondContact O-N 3.07Å; S1065-I1068 VanDerWaalsContact O-N 3.11Å; D1066-I1068 VanDerWaalsContact C-N 3.33Å; I1068-D1077 WeakPolarHBondContact CA-OD2 3.43Å; I1068-D1077 HydrophobicContact CG2-CB 4.25Å; I1068-Y1078 VanDerWaalsContact CD1-O 3.32Å; I1068-Y1078 WeakPolarHBondContact CD1-O 3.34Å; I1068-F1203 HydrophobicContact CD1-CD1 3.82Å; I1068-F1203 HydrophobicContact CD1-CE1 3.97Å; I1068-F1203 HydrophobicContact CG1-CD1 4.03Å; I1068-F1203 HydrophobicContact CG1-CE1 3.76Å
1069S93.9Very high93Very high0 Ų028 Ų280%017%0.17CC..PPolyproline II helixtrans-60.6138.4-18091.60000112.7A1022 S1023 V1075 D1077A1022-S1069 CarbonylContact C-O 3.56Å; A1022-S1069 VanDerWaalsContact CA-O 3.31Å; A1022-S1069 WeakPolarHBondContact CA-O 3.47Å; S1023-S1069 PolarHBondContact N-O 3.44Å; S1023-S1069 PolarHBondContact OG-O 3.42Å; S1069-V1075 PolarHBondContact OG-O 3.21Å; S1069-D1077 PolarHBondContact N-OD2 2.94Å; S1069-D1077 WeakPolarHBondContact OG-CB 3.3Å
1070P92.8Very high93.4Very high52 Ų5226.6 Ų26.634%0.33816%0.163SC..BIsolated β-bridgetrans-71.5152.5-176.527.5-34.3000112.5W929 S1023 G1072 S1073W929-P1070 VanDerWaalsContact CD1-CD 3.49Å; S1023-P1070 WeakPolarHBondContact O-CA 3.48Å; S1023-P1070 VanDerWaalsContact OG-CA 3.22Å; S1023-P1070 WeakPolarHBondContact OG-CA 3.32Å; P1070-G1072 PolarHBondContact O-N 3Å; P1070-S1073 WeakPolarHBondContact O-CB 3.32Å; P1070-S1073 PolarHBondContact O-N 3.06Å
1071M90.3Very high93.6Very high85 Ų8525 Ų2542%0.41915%0.153SC..THydrogen-bonded Turntrans-55.6128.8175.5-168.416766.300111.1A1022 S1023 L1029 N1038A1022-M1071 HydrophobicContact CB-CB 4.2Å; S1023-M1071 PolarHBondContact O-N 3.06Å; L1029-M1071 HydrophobicContact CD1-SD 3.86Å; N1038-M1071 WeakPolarHBondContact OD1-CG 3.42Å
1072G86.5Confident93.7Very high63 Ų6324.2 Ų24.265%0.64915%0.15SC*.THydrogen-bonded Turntrans86-0-173.200000115.8P1070P1070-G1072 PolarHBondContact O-N 3Å
1073S88.2Confident93.8Very high22 Ų2223.8 Ų23.815%0.15415%0.148CC..  trans-57.3147.6170.31770000112P1070 V1075P1070-S1073 WeakPolarHBondContact O-CB 3.32Å; P1070-S1073 PolarHBondContact O-N 3.06Å; S1073-V1075 PolarHBondContact O-N 2.85Å; S1073-V1075 PolarHBondContact OG-N 2.85Å; S1073-V1075 PolarHBondContact OG-O 2.91Å
1074P83.9Confident93.9Very high114 Ų11423.8 Ų23.874%0.7415%0.148SC*.SBendtrans-65.4-18.3172.827.8-35.8000113.6
1075V87.4Confident93.9Very high35 Ų3523.5 Ų23.521%0.21215%0.146CC..SBendtrans-108.4124.3-179.6-176.50000109.6W929 L934 S1069 S1073W929-V1075 VanDerWaalsContact O-CG2 3.29Å; W929-V1075 WeakPolarHBondContact O-CG2 3.43Å; L934-V1075 HydrophobicContact CB-CG1 4.16Å; L934-V1075 HydrophobicContact CD1-CG1 3.78Å; L934-V1075 HydrophobicContact CG-CG1 4.1Å; S1069-V1075 PolarHBondContact OG-O 3.21Å; S1073-V1075 PolarHBondContact O-N 2.85Å; S1073-V1075 PolarHBondContact OG-N 2.85Å; S1073-V1075 PolarHBondContact OG-O 2.91Å
1076K90Very high93.9Very high83 Ų8323.4 Ų23.436%0.36115%0.146SC..  trans-77.9136.5171.9-63.9-171.1-174.4-178.90110.6E1034 Y1037E1034-K1076 HydrophobicContact CG-CD 4.38Å; E1034-K1076 PolarHBondContact O-NZ 3.02Å; E1034-K1076 VanDerWaalsContact O-NZ 3.16Å; E1034-K1076 IonicContact OE2-NZ 2.98Å; E1034-K1076 PolarHBondContact OE2-NZ 3.15Å; Y1037-K1076 HydrophobicContact CD1-CD 4.44Å; Y1037-K1076 HydrophobicContact CD1-CG 4.21Å; Y1037-K1076 HydrophobicContact CD2-CD 4.13Å; Y1037-K1076 HydrophobicContact CD2-CG 4.32Å; Y1037-K1076 HydrophobicContact CE1-CB 4.47Å; Y1037-K1076 HydrophobicContact CE1-CG 4.02Å; Y1037-K1076 HydrophobicContact CE2-CB 3.94Å; Y1037-K1076 HydrophobicContact CE2-CD 4.37Å; Y1037-K1076 HydrophobicContact CE2-CG 4.11Å; Y1037-K1076 HydrophobicContact CG-CD 4.17Å; Y1037-K1076 HydrophobicContact CG-CG 4.37Å; Y1037-K1076 WeakPolarHBondContact OH-CA 3.47Å
1077D94.6Very high93.6Very high8 Ų822.7 Ų22.74%0.04314%0.142CC..EExtended strand (participates in β ladder)trans-122.1174.4-178.6-153.9-6.2000111.8L934 A1021 Y1037 I1068 S1069L934-D1077 HydrophobicContact CD1-CB 4Å; L934-D1077 VanDerWaalsContact CD1-CG 3.46Å; L934-D1077 WeakPolarHBondContact CD1-OD2 3.43Å; A1021-D1077 PolarHBondContact N-O 3.37Å; A1021-D1077 CarbonylContact O-C 3.59Å; A1021-D1077 VanDerWaalsContact O-O 3.09Å; Y1037-D1077 PolarHBondContact OH-N 2.91Å; Y1037-D1077 VanDerWaalsContact OH-N 3.13Å; I1068-D1077 WeakPolarHBondContact CA-OD2 3.43Å; I1068-D1077 HydrophobicContact CG2-CB 4.25Å; S1069-D1077 PolarHBondContact N-OD2 2.94Å; S1069-D1077 WeakPolarHBondContact OG-CB 3.3Å
1078Y96.2Very high93.6Very high8 Ų824 Ų243%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-143.7156.6-172.2-55-98.2000110.7P937 V940 I1018 F1019 P1020 E1034 I1068 W1133P937-Y1078 HydrophobicContact CG-CD1 3.71Å; P937-Y1078 HydrophobicContact CG-CD2 3.75Å; P937-Y1078 HydrophobicContact CG-CE1 4.09Å; P937-Y1078 HydrophobicContact CG-CE2 4.16Å; P937-Y1078 HydrophobicContact CG-CG 3.55Å; V940-Y1078 HydrophobicContact CG2-CD1 4.37Å; V940-Y1078 HydrophobicContact CG2-CE1 4.02Å; I1018-Y1078 HydrophobicContact CG2-CD1 4.41Å; F1019-Y1078 VanDerWaalsContact O-CA 3.26Å; F1019-Y1078 WeakPolarHBondContact O-CA 3.33Å; F1019-Y1078 WeakPolarHBondContact O-CB 3.47Å; P1020-Y1078 HydrophobicContact CB-CD1 4.26Å; P1020-Y1078 HydrophobicContact CB-CE1 4.21Å; P1020-Y1078 HydrophobicContact CG-CD1 4.27Å; P1020-Y1078 HydrophobicContact CG-CE1 4.06Å; E1034-Y1078 VanDerWaalsContact CD-OH 3.31Å; E1034-Y1078 HydrophobicContact CG-CE1 4.41Å; E1034-Y1078 PolarHBondContact OE1-OH 3.42Å; I1068-Y1078 VanDerWaalsContact CD1-O 3.32Å; I1068-Y1078 WeakPolarHBondContact CD1-O 3.34Å; Y1078-W1133 VanDerWaalsContact O-CH2 3.31Å; Y1078-W1133 WeakPolarHBondContact O-CH2 3.29Å
1079V97Very high93.5Very high0 Ų024.7 Ų24.70%016%0.157CC..EExtended strand (participates in β ladder)trans-126.1136.1168.771.40000108.9F1019 A1021 V1030 L1045 M1081F1019-V1079 PolarHBondContact N-O 2.8Å; F1019-V1079 PolarHBondContact O-N 2.88Å; A1021-V1079 HydrophobicContact CB-CB 3.99Å; A1021-V1079 HydrophobicContact CB-CG1 3.79Å; V1030-V1079 HydrophobicContact CG2-CG1 4.13Å; L1045-V1079 HydrophobicContact CD1-CG2 4.47Å; V1079-M1081 HydrophobicContact CG1-CE 4.04Å
1080G97.5Very high93.5Very high0 Ų025.1 Ų25.10%016%0.159CC..EExtended strand (participates in β ladder)trans-96.5156.7172.100000111.5G1017 L1201 Y1202G1017-G1080 CarbonylContact O-C 3.54Å; G1017-G1080 VanDerWaalsContact O-CA 3.28Å; G1017-G1080 WeakPolarHBondContact O-CA 3.43Å; G1080-L1201 CarbonylContact O-C 3.48Å; G1080-L1201 VanDerWaalsContact O-CA 3.23Å; G1080-L1201 WeakPolarHBondContact O-CA 3.38Å; G1080-Y1202 PolarHBondContact N-O 3.07Å; G1080-Y1202 VanDerWaalsContact N-O 3.11Å; G1080-Y1202 PolarHBondContact O-N 3.46Å
1081M98Very high93.3Very high0 Ų025.2 Ų25.20%016%0.16CC..EExtended strand (participates in β ladder)trans-141.7149.4176.3-51.2-171-178.700109.3V1016 G1017 V1030 L1045 V1079 I1172 L1175 L1176 G1200 L1201V1016-M1081 WeakPolarHBondContact CA-O 3.46Å; G1017-M1081 PolarHBondContact N-O 2.78Å; G1017-M1081 PolarHBondContact O-N 3.02Å; V1030-M1081 HydrophobicContact CG2-CE 4.1Å; L1045-M1081 HydrophobicContact CD1-CE 3.75Å; L1045-M1081 HydrophobicContact CD2-CE 4.42Å; L1045-M1081 HydrophobicContact CG-CE 4.31Å; V1079-M1081 HydrophobicContact CG1-CE 4.04Å; M1081-I1172 HydrophobicContact CB-CG2 4.47Å; M1081-I1172 HydrophobicContact SD-CG1 4.21Å; M1081-L1175 HydrophobicContact CE-CD1 3.4Å; M1081-L1175 HydrophobicContact SD-CB 4.31Å; M1081-L1175 HydrophobicContact SD-CD1 3.61Å; M1081-L1176 HydrophobicContact CB-CD1 3.84Å; M1081-L1176 HydrophobicContact CB-CD2 4.33Å; M1081-L1176 HydrophobicContact CB-CG 4.25Å; M1081-G1200 WeakPolarHBondContact CA-O 3.46Å; M1081-L1201 HydrophobicContact CB-CD2 4.4Å; M1081-L1201 HydrophobicContact CE-CD2 4.28Å; M1081-L1201 HydrophobicContact CG-CD2 3.73Å; M1081-L1201 HydrophobicContact SD-CD2 4.27Å
1082F98.4Very high93.4Very high2 Ų227.1 Ų27.11%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-147.8156.3174.874.7-83.1000113V1015 V1016 V1084 A1121 R1155 V1198 C1199 G1200 Y1202V1015-F1082 VanDerWaalsContact O-CA 3.27Å; V1015-F1082 WeakPolarHBondContact O-CA 3.16Å; V1016-F1082 HydrophobicContact CG2-CB 4.14Å; F1082-V1084 HydrophobicContact CD2-CG1 4.05Å; F1082-A1121 HydrophobicContact CE2-CB 3.84Å; F1082-A1121 HydrophobicContact CZ-CB 4.35Å; F1082-R1155 HydrophobicContact CE1-CB 4.38Å; F1082-V1198 HydrophobicContact CE2-CG1 4.02Å; F1082-V1198 HydrophobicContact CZ-CG1 4.26Å; F1082-C1199 VanDerWaalsContact O-CA 3.24Å; F1082-C1199 WeakPolarHBondContact O-CA 3.18Å; F1082-C1199 WeakPolarHBondContact O-CB 3.49Å; F1082-G1200 WeakPolarHBondContact CD1-O 3.28Å; F1082-G1200 PolarHBondContact N-O 3.32Å; F1082-G1200 PolarHBondContact O-N 3.47Å; F1082-Y1202 HydrophobicContact CB-CE2 3.76Å; F1082-Y1202 HydrophobicContact CD1-CD1 4.29Å; F1082-Y1202 HydrophobicContact CD1-CD2 4.22Å; F1082-Y1202 AromaticContact CD1-CE1 3.62Å; F1082-Y1202 HydrophobicContact CD1-CE1 3.62Å; F1082-Y1202 AromaticContact CD1-CE2 3.55Å; F1082-Y1202 HydrophobicContact CD1-CE2 3.55Å; F1082-Y1202 AromaticContact CD1-CZ 3.2Å; F1082-Y1202 VanDerWaalsContact CD1-OH 3.32Å; F1082-Y1202 WeakPolarHBondContact CD1-OH 3.29Å; F1082-Y1202 HydrophobicContact CE1-CD1 4.44Å; F1082-Y1202 AromaticContact CE1-CE1 3.75Å; F1082-Y1202 HydrophobicContact CE1-CE1 3.75Å; F1082-Y1202 HydrophobicContact CE1-CE2 4.5Å; F1082-Y1202 AromaticContact CE1-CZ 3.8Å; F1082-Y1202 HydrophobicContact CG-CE1 4.47Å; F1082-Y1202 AromaticContact CG-CE2 3.94Å; F1082-Y1202 HydrophobicContact CG-CE2 3.94Å; F1082-Y1202 AromaticContact CG-CZ 3.68Å; F1082-Y1202 WeakPolarHBondContact CG-OH 3.46Å
1083A98.5Very high93.7Very high0 Ų024.9 Ų24.90%014%0.14CC..EExtended strand (participates in β ladder)trans-142.7130.7162.500000109.2A1014 V1015 V1178 I1184 V1198 C1199A1014-A1083 WeakPolarHBondContact CA-O 3.27Å; V1015-A1083 HydrophobicContact CG1-CB 4.03Å; V1015-A1083 PolarHBondContact N-O 2.86Å; V1015-A1083 PolarHBondContact O-N 2.8Å; A1083-V1178 HydrophobicContact CB-CB 4.48Å; A1083-V1178 HydrophobicContact CB-CG1 3.64Å; A1083-V1178 HydrophobicContact CB-CG2 3.94Å; A1083-I1184 HydrophobicContact CB-CD1 4.16Å; A1083-V1198 CarbonylContact C-O 3.4Å; A1083-V1198 WeakPolarHBondContact CA-O 3.41Å; A1083-C1199 HydrophobicContact CB-CB 4.12Å
1084V98.4Very high93.8Very high0 Ų024.4 Ų24.40%014%0.137CC..EExtended strand (participates in β ladder)trans-130.1150-179.9-52.90000111.2K1013 A1014 F1082 S1117 F1120 A1121 M1124 S1197 V1198K1013-V1084 WeakPolarHBondContact O-CA 3.47Å; A1014-V1084 HydrophobicContact CB-CB 4.19Å; A1014-V1084 HydrophobicContact CB-CG1 3.56Å; F1082-V1084 HydrophobicContact CD2-CG1 4.05Å; V1084-S1117 WeakPolarHBondContact CG2-O 3.34Å; V1084-F1120 HydrophobicContact CB-CB 4.44Å; V1084-F1120 HydrophobicContact CB-CD1 3.68Å; V1084-F1120 HydrophobicContact CB-CE1 4.19Å; V1084-F1120 HydrophobicContact CB-CG 4.13Å; V1084-F1120 HydrophobicContact CG1-CD1 4.21Å; V1084-F1120 HydrophobicContact CG1-CG 4.34Å; V1084-F1120 HydrophobicContact CG2-CB 4.25Å; V1084-F1120 HydrophobicContact CG2-CD1 4.31Å; V1084-F1120 HydrophobicContact CG2-CG 4.47Å; V1084-A1121 HydrophobicContact CG2-CB 3.95Å; V1084-M1124 HydrophobicContact CG1-CG 3.96Å; V1084-S1197 CarbonylContact O-C 3.48Å; V1084-S1197 VanDerWaalsContact O-CA 3.22Å; V1084-S1197 WeakPolarHBondContact O-CA 3.43Å; V1084-S1197 WeakPolarHBondContact O-CB 3.46Å; V1084-V1198 HydrophobicContact CG2-CB 4Å; V1084-V1198 PolarHBondContact N-O 3.36Å; V1084-V1198 PolarHBondContact O-N 2.92Å
1085T97.6Very high94Very high0 Ų023.6 Ų23.60%012%0.123CC..EExtended strand (participates in β ladder)trans-141.3144.3170.7-1710000110.9A1012 K1013 G1087 L1088 I1184 A1196 S1197A1012-T1085 CarbonylContact C-O 3.55Å; A1012-T1085 VanDerWaalsContact CA-O 3.22Å; A1012-T1085 WeakPolarHBondContact CA-O 3.34Å; K1013-T1085 HydrophobicContact CB-CG2 4.26Å; K1013-T1085 PolarHBondContact N-O 2.83Å; K1013-T1085 PolarHBondContact O-N 3.15Å; T1085-G1087 PolarHBondContact OG1-N 2.96Å; T1085-L1088 HydrophobicContact CG2-CD1 4.2Å; T1085-L1088 HydrophobicContact CG2-CG 4.1Å; T1085-I1184 HydrophobicContact CG2-CD1 4.11Å; T1085-I1184 HydrophobicContact CG2-CG1 3.87Å; T1085-A1196 WeakPolarHBondContact CA-O 3.46Å; T1085-A1196 PolarHBondContact OG1-O 3.41Å; T1085-S1197 VanDerWaalsContact CB-OG 3.3Å; T1085-S1197 WeakPolarHBondContact CB-OG 3.38Å; T1085-S1197 PolarHBondContact OG1-OG 3.01Å
1086A96.2Very high94.1Very high0 Ų024.2 Ų24.20%013%0.132CC..EExtended strand (participates in β ladder)trans-121.915.9166.700000111.3A1012 L1116 A1196A1012-A1086 HydrophobicContact CB-CB 4.49Å; A1086-L1116 HydrophobicContact CB-CB 3.62Å; A1086-A1196 PolarHBondContact N-O 3.34Å
1087G90.6Very high94.1Very high0 Ų022.1 Ų22.10%012%0.123CC..EExtended strand (participates in β ladder)trans-97.83.4-172.900000115.7T1085 G1089 L1090T1085-G1087 PolarHBondContact OG1-N 2.96Å; G1087-G1089 PolarHBondContact O-N 3.33Å; G1087-L1090 WeakPolarHBondContact O-CB 3.21Å; G1087-L1090 PolarHBondContact O-N 3.48Å; G1087-L1090 VanDerWaalsContact O-N 3.14Å
1088L94Very high93.6Very high28 Ų2826.8 Ų26.815%0.14714%0.144CC..EExtended strand (participates in β ladder)trans-72.1118.9179.8-61.1170.5000109.7L1010 R1011 K1013 T1085 P1194L1010-L1088 CarbonylContact C-O 3.57Å; L1010-L1088 WeakPolarHBondContact CA-O 3.41Å; R1011-L1088 HydrophobicContact CB-CB 4.1Å; R1011-L1088 HydrophobicContact CB-CD1 4.47Å; R1011-L1088 PolarHBondContact N-O 2.88Å; R1011-L1088 WeakPolarHBondContact O-CB 3.49Å; K1013-L1088 HydrophobicContact CB-CD1 4.37Å; K1013-L1088 HydrophobicContact CD-CD1 3.81Å; K1013-L1088 HydrophobicContact CG-CD1 3.78Å; T1085-L1088 HydrophobicContact CG2-CD1 4.2Å; T1085-L1088 HydrophobicContact CG2-CG 4.1Å; L1088-P1194 HydrophobicContact CD2-CG 3.89Å
1089G93.9Very high92.8Very high19 Ų1933.3 Ų33.320%0.19617%0.173CC..THydrogen-bonded Turntrans100.5-10.6-172.100000114.2G1087 E1092 M1093G1087-G1089 PolarHBondContact O-N 3.33Å; G1089-E1092 WeakPolarHBondContact CA-OE2 3.49Å; G1089-E1092 PolarHBondContact O-N 2.97Å; G1089-M1093 WeakPolarHBondContact O-CG 3.36Å; G1089-M1093 PolarHBondContact O-N 2.9Å
1090L93.9Very high92Very high8 Ų838.6 Ų38.64%0.04220%0.201CC..Hα-helixtrans-62.8-42.5179.7-179.263.5000113.3L1010 G1087 E1092 M1093 V1094 A1109 K1110 A1113L1010-L1090 HydrophobicContact CD2-CB 3.92Å; G1087-L1090 WeakPolarHBondContact O-CB 3.21Å; G1087-L1090 PolarHBondContact O-N 3.48Å; G1087-L1090 VanDerWaalsContact O-N 3.14Å; L1090-E1092 VanDerWaalsContact C-N 3.32Å; L1090-E1092 PolarHBondContact O-N 3.44Å; L1090-M1093 PolarHBondContact O-N 2.93Å; L1090-V1094 HydrophobicContact CD1-CG2 4.07Å; L1090-V1094 HydrophobicContact CG-CG2 4.31Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.45Å; L1090-V1094 PolarHBondContact O-N 3.38Å; L1090-A1109 HydrophobicContact CD1-CB 4.09Å; L1090-K1110 HydrophobicContact CD1-CG 4.36Å; L1090-K1110 HydrophobicContact CD2-CG 4.31Å; L1090-A1113 HydrophobicContact CD1-CB 4.19Å; L1090-A1113 HydrophobicContact CD2-CB 3.88Å
1091P88.6Confident91Very high55 Ų5540.9 Ų40.936%0.35721%0.213SC..Hα-helixtrans-57.1-43.1177.1-25.836.2000113.2V1094 E1095 Y1193P1091-V1094 PolarHBondContact O-N 3.18Å; P1091-E1095 PolarHBondContact O-N 2.66Å; P1091-Y1193 WeakPolarHBondContact CG-OH 3.45Å
1092E91.9Very high90.3Very high125 Ų12541.9 Ų41.958%0.58422%0.219SC*.Hα-helixtrans-66.3-38.3179.7-63.883.7170.600112G1089 L1090 A1096G1089-E1092 WeakPolarHBondContact CA-OE2 3.49Å; G1089-E1092 PolarHBondContact O-N 2.97Å; L1090-E1092 VanDerWaalsContact C-N 3.32Å; L1090-E1092 PolarHBondContact O-N 3.44Å; E1092-A1096 PolarHBondContact O-N 3.32Å; E1092-A1096 VanDerWaalsContact O-N 3.17Å
1093M92.7Very high89.5Confident15 Ų1543.1 Ų43.17%0.07423%0.225CC..Hα-helixtrans-64.8-44.4173.4-71.1-178.66500111.9I1004 L1009 L1010 G1089 L1090 A1096 F1097 A1109I1004-M1093 HydrophobicContact CD1-CE 4.04Å; I1004-M1093 HydrophobicContact CG1-CE 3.83Å; I1004-M1093 HydrophobicContact CG1-SD 4.47Å; L1009-M1093 HydrophobicContact CB-CE 4.3Å; L1009-M1093 HydrophobicContact CB-CG 4.26Å; L1009-M1093 HydrophobicContact CB-SD 3.6Å; L1009-M1093 VanDerWaalsContact CB-SD 3.6Å; L1009-M1093 HydrophobicContact CD1-CE 4.03Å; L1009-M1093 HydrophobicContact CD1-SD 4.35Å; L1010-M1093 HydrophobicContact CD2-SD 3.65Å; L1010-M1093 HydrophobicContact CG-SD 3.88Å; G1089-M1093 WeakPolarHBondContact O-CG 3.36Å; G1089-M1093 PolarHBondContact O-N 2.9Å; L1090-M1093 PolarHBondContact O-N 2.93Å; M1093-A1096 PolarHBondContact O-N 3.48Å; M1093-F1097 HydrophobicContact CE-CE2 4.3Å; M1093-F1097 WeakPolarHBondContact O-CD2 3.33Å; M1093-F1097 PolarHBondContact O-N 2.77Å; M1093-F1097 VanDerWaalsContact O-N 3.15Å; M1093-A1109 HydrophobicContact CE-CB 4.18Å
1094V90.6Very high88.9Confident12 Ų1243.2 Ų43.27%0.07323%0.225CC..Hα-helixtrans-63.4-45.5179169.10000110.5L1090 P1091 A1096 F1097 E1098 I1106 K1110L1090-V1094 HydrophobicContact CD1-CG2 4.07Å; L1090-V1094 HydrophobicContact CG-CG2 4.31Å; L1090-V1094 WeakPolarHBondContact O-CG2 3.45Å; L1090-V1094 PolarHBondContact O-N 3.38Å; P1091-V1094 PolarHBondContact O-N 3.18Å; V1094-A1096 VanDerWaalsContact C-N 3.26Å; V1094-A1096 PolarHBondContact O-N 2.84Å; V1094-F1097 PolarHBondContact O-N 2.76Å; V1094-F1097 VanDerWaalsContact O-N 3.16Å; V1094-E1098 HydrophobicContact CG1-CG 4.22Å; V1094-E1098 WeakPolarHBondContact O-CG 3.26Å; V1094-E1098 PolarHBondContact O-N 2.82Å; V1094-I1106 HydrophobicContact CG1-CG1 4.49Å; V1094-I1106 HydrophobicContact CG1-CG2 3.93Å; V1094-I1106 HydrophobicContact CG2-CG2 4.39Å; V1094-K1110 HydrophobicContact CG2-CG 4.16Å
1095E89Confident88.5Confident98 Ų9845.4 Ų45.446%0.45824%0.236SC..Hα-helixtrans-60.3-35.6177.6-165.2-164.6148.100112.2P1091 K1099P1091-E1095 PolarHBondContact O-N 2.66Å; E1095-K1099 WeakPolarHBondContact O-CG 3.43Å; E1095-K1099 PolarHBondContact O-N 3.48Å; E1095-K1099 WeakPolarHBondContact OE1-CE 3.23Å; E1095-K1099 IonicContact OE1-NZ 3.53Å; E1095-K1099 PolarHBondContact OE1-NZ 2.75Å
1096A88.6Confident88Confident48 Ų4845.8 Ų45.840%0.39724%0.237SC..Hα-helixtrans-65.5-45.6175.300000112E1092 M1093 V1094 K1099 D1100E1092-A1096 PolarHBondContact O-N 3.32Å; E1092-A1096 VanDerWaalsContact O-N 3.17Å; M1093-A1096 PolarHBondContact O-N 3.48Å; V1094-A1096 VanDerWaalsContact C-N 3.26Å; V1094-A1096 PolarHBondContact O-N 2.84Å; A1096-K1099 PolarHBondContact O-N 2.66Å; A1096-D1100 PolarHBondContact O-N 3.12Å
1097F90Very high87.7Confident39 Ų3945.9 Ų45.917%0.17124%0.238CC..Hα-helixtrans-70.2-30.4176.8-66.2-53.7000113.2L1000 M1093 V1094 K1099 D1100 L1101 D1102 H1105 I1106 A1109L1000-F1097 HydrophobicContact CD1-CZ 4.36Å; M1093-F1097 HydrophobicContact CE-CE2 4.3Å; M1093-F1097 WeakPolarHBondContact O-CD2 3.33Å; M1093-F1097 PolarHBondContact O-N 2.77Å; M1093-F1097 VanDerWaalsContact O-N 3.15Å; V1094-F1097 PolarHBondContact O-N 2.76Å; V1094-F1097 VanDerWaalsContact O-N 3.16Å; F1097-K1099 VanDerWaalsContact C-N 3.35Å; F1097-D1100 CarbonylContact O-C 3.57Å; F1097-D1100 PolarHBondContact O-N 2.63Å; F1097-L1101 PolarHBondContact O-N 2.91Å; F1097-L1101 VanDerWaalsContact O-N 3.16Å; F1097-D1102 HydrophobicContact CB-CB 4.39Å; F1097-D1102 HydrophobicContact CD1-CB 4.46Å; F1097-D1102 PolarHBondContact O-N 3.26Å; F1097-H1105 HydrophobicContact CD1-CB 3.57Å; F1097-H1105 HydrophobicContact CD2-CB 3.91Å; F1097-H1105 HydrophobicContact CE1-CB 3.58Å; F1097-H1105 HydrophobicContact CE2-CB 3.93Å; F1097-H1105 HydrophobicContact CG-CB 3.75Å; F1097-H1105 HydrophobicContact CZ-CB 3.77Å; F1097-I1106 HydrophobicContact CB-CD1 4.39Å; F1097-I1106 HydrophobicContact CB-CG1 3.56Å; F1097-A1109 HydrophobicContact CE2-CB 4.24Å
1098E83.3Confident87.9Confident105 Ų10545.9 Ų45.949%0.49124%0.238SC..Hα-helixtrans-62.4-40.6173.1-77.6178174.100111.8V1094 D1100 L1101 I1106V1094-E1098 HydrophobicContact CG1-CG 4.22Å; V1094-E1098 WeakPolarHBondContact O-CG 3.26Å; V1094-E1098 PolarHBondContact O-N 2.82Å; E1098-D1100 PolarHBondContact O-N 3.39Å; E1098-L1101 PolarHBondContact O-N 3.47Å; E1098-L1101 VanDerWaalsContact O-N 3.12Å; E1098-I1106 HydrophobicContact CB-CD1 4.29Å; E1098-I1106 HydrophobicContact CG-CD1 3.41Å; E1098-I1106 VanDerWaalsContact CG-CD1 3.41Å; E1098-I1106 HydrophobicContact CG-CG1 4.35Å
1099K80.5Confident87.9Confident145 Ų14544.6 Ų44.663%0.6323%0.231SC*.Hα-helixtrans-62.5-30.5174.7-73.1168.2-174.1158.90112.8E1095 A1096 F1097E1095-K1099 WeakPolarHBondContact O-CG 3.43Å; E1095-K1099 PolarHBondContact O-N 3.48Å; E1095-K1099 WeakPolarHBondContact OE1-CE 3.23Å; E1095-K1099 IonicContact OE1-NZ 3.53Å; E1095-K1099 PolarHBondContact OE1-NZ 2.75Å; A1096-K1099 PolarHBondContact O-N 2.66Å; F1097-K1099 VanDerWaalsContact C-N 3.35Å
1100D80Confident87.9Confident111 Ų11144.8 Ų44.859%0.59423%0.227SC*.THydrogen-bonded Turntrans-90.83.5178-68.6-22.6000113.4A1096 F1097 E1098 D1102A1096-D1100 PolarHBondContact O-N 3.12Å; F1097-D1100 CarbonylContact O-C 3.57Å; F1097-D1100 PolarHBondContact O-N 2.63Å; E1098-D1100 PolarHBondContact O-N 3.39Å; D1100-D1102 HydrophobicContact CB-CB 4.42Å; D1100-D1102 PolarHBondContact O-N 3.35Å
1101L76.2Confident87.8Confident49 Ų4944.4 Ų44.426%0.25723%0.225SC..THydrogen-bonded Turntrans55.633.1-175.1-55.7173.9000113.1K731 E735 F1097 E1098 D1103K731-L1101 HydrophobicContact CB-CD1 4.26Å; K731-L1101 HydrophobicContact CD-CB 4.47Å; E735-L1101 WeakPolarHBondContact OE2-CD1 3.34Å; F1097-L1101 PolarHBondContact O-N 2.91Å; F1097-L1101 VanDerWaalsContact O-N 3.16Å; E1098-L1101 PolarHBondContact O-N 3.47Å; E1098-L1101 VanDerWaalsContact O-N 3.12Å; L1101-D1103 PolarHBondContact O-N 3.48Å
1102D82.5Confident88.2Confident21 Ų2141.8 Ų41.811%0.11221%0.208CC..  trans-100.567-171.6-156.6-10000113R728 F1097 D1100 Y1104 H1105 I1106R728-D1102 WeakPolarHBondContact CD-OD1 3.35Å; R728-D1102 IonicContact CZ-OD1 3.47Å; R728-D1102 IonicContact NH1-OD1 3.17Å; R728-D1102 PolarHBondContact NH1-OD1 2.84Å; R728-D1102 IonicContact NH1-OD2 3.67Å; R728-D1102 PolarHBondContact NH1-OD2 3.26Å; F1097-D1102 HydrophobicContact CB-CB 4.39Å; F1097-D1102 HydrophobicContact CD1-CB 4.46Å; F1097-D1102 PolarHBondContact O-N 3.26Å; D1100-D1102 HydrophobicContact CB-CB 4.42Å; D1100-D1102 PolarHBondContact O-N 3.35Å; D1102-Y1104 PolarHBondContact O-N 3.33Å; D1102-H1105 PolarHBondContact O-N 2.91Å; D1102-H1105 IonicContact OD1-ND1 3.17Å; D1102-H1105 PolarHBondContact OD1-ND1 3.07Å; D1102-H1105 IonicContact OD2-CE1 2.64Å; D1102-H1105 IonicContact OD2-CG 3.95Å; D1102-H1105 IonicContact OD2-ND1 3.99Å; D1102-H1105 PolarHBondContact OD2-ND1 2.83Å; D1102-I1106 PolarHBondContact O-N 2.76Å; D1102-I1106 VanDerWaalsContact O-N 3.1Å
1103D81.7Confident88.5Confident27 Ų2735.8 Ų35.814%0.14418%0.18CC..Hα-helixtrans-52.5-31.1179.6-60.7-56.4000113.1I724 K731 V779 L1101 I1106 I1107I724-D1103 HydrophobicContact CG2-CB 3.86Å; K731-D1103 IonicContact NZ-OD1 3.95Å; K731-D1103 PolarHBondContact NZ-OD1 2.9Å; K731-D1103 IonicContact NZ-OD2 2.96Å; K731-D1103 PolarHBondContact NZ-OD2 2.94Å; V779-D1103 HydrophobicContact CG2-CB 4.18Å; L1101-D1103 PolarHBondContact O-N 3.48Å; D1103-I1106 PolarHBondContact O-N 3.36Å; D1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; D1103-I1107 PolarHBondContact O-N 2.92Å; D1103-I1107 VanDerWaalsContact O-N 3.07Å
1104Y85.9Confident88.6Confident2 Ų237.2 Ų37.21%0.00819%0.188CC..Hα-helixtrans-61.3-49.3177.3-179-103.9000111.4P721 I724 K725 W966 D996 D1102 I1107 M1108P721-Y1104 HydrophobicContact CB-CE2 4.21Å; I724-Y1104 HydrophobicContact CG2-CD2 4.47Å; K725-Y1104 HydrophobicContact CG-CD2 4.25Å; K725-Y1104 HydrophobicContact CG-CG 4.44Å; W966-Y1104 AromaticContact CH2-CD2 3.57Å; W966-Y1104 HydrophobicContact CH2-CD2 3.57Å; W966-Y1104 AromaticContact CH2-CE2 3.52Å; W966-Y1104 HydrophobicContact CH2-CE2 3.52Å; W966-Y1104 HydrophobicContact CH2-CG 4.39Å; W966-Y1104 HydrophobicContact CZ2-CE2 4.33Å; W966-Y1104 AromaticContact CZ3-CD2 3.78Å; W966-Y1104 HydrophobicContact CZ3-CD2 3.78Å; W966-Y1104 AromaticContact CZ3-CE2 3.73Å; W966-Y1104 HydrophobicContact CZ3-CE2 3.73Å; D996-Y1104 HydrophobicContact CB-CE1 4.15Å; D996-Y1104 WeakPolarHBondContact OD2-CE1 3.28Å; D996-Y1104 PolarHBondContact OD2-OH 3.36Å; D1102-Y1104 PolarHBondContact O-N 3.33Å; Y1104-I1107 PolarHBondContact O-N 2.94Å; Y1104-M1108 HydrophobicContact CE1-CE 3.91Å; Y1104-M1108 HydrophobicContact CE2-CE 4.3Å; Y1104-M1108 VanDerWaalsContact O-CB 3.31Å; Y1104-M1108 WeakPolarHBondContact O-CB 3.46Å; Y1104-M1108 PolarHBondContact O-N 3.44Å; Y1104-M1108 WeakPolarHBondContact OH-CE 3.34Å
1105H90.4Very high88.8Confident47 Ų4738 Ų3822%0.21819%0.189CC..Hα-helixtrans-75.7-26.6179.4-72.9105.9000113F1097 D1102 M1108 A1109F1097-H1105 HydrophobicContact CD1-CB 3.57Å; F1097-H1105 HydrophobicContact CD2-CB 3.91Å; F1097-H1105 HydrophobicContact CE1-CB 3.58Å; F1097-H1105 HydrophobicContact CE2-CB 3.93Å; F1097-H1105 HydrophobicContact CG-CB 3.75Å; F1097-H1105 HydrophobicContact CZ-CB 3.77Å; D1102-H1105 PolarHBondContact O-N 2.91Å; D1102-H1105 IonicContact OD1-ND1 3.17Å; D1102-H1105 PolarHBondContact OD1-ND1 3.07Å; D1102-H1105 IonicContact OD2-CE1 2.64Å; D1102-H1105 IonicContact OD2-CG 3.95Å; D1102-H1105 IonicContact OD2-ND1 3.99Å; D1102-H1105 PolarHBondContact OD2-ND1 2.83Å; H1105-M1108 PolarHBondContact O-N 2.86Å; H1105-A1109 VanDerWaalsContact O-CB 3.23Å; H1105-A1109 WeakPolarHBondContact O-CB 3.38Å; H1105-A1109 PolarHBondContact O-N 3.28Å
1106I88.4Confident89.2Confident7 Ų733.3 Ų33.34%0.03617%0.167CC..Hα-helixtrans-59.3-51.9169.8-64.7171.1000110.4V1094 F1097 E1098 D1102 D1103 K1110V1094-I1106 HydrophobicContact CG1-CG1 4.49Å; V1094-I1106 HydrophobicContact CG1-CG2 3.93Å; V1094-I1106 HydrophobicContact CG2-CG2 4.39Å; F1097-I1106 HydrophobicContact CB-CD1 4.39Å; F1097-I1106 HydrophobicContact CB-CG1 3.56Å; E1098-I1106 HydrophobicContact CB-CD1 4.29Å; E1098-I1106 HydrophobicContact CG-CD1 3.41Å; E1098-I1106 VanDerWaalsContact CG-CD1 3.41Å; E1098-I1106 HydrophobicContact CG-CG1 4.35Å; D1102-I1106 PolarHBondContact O-N 2.76Å; D1102-I1106 VanDerWaalsContact O-N 3.1Å; D1103-I1106 PolarHBondContact O-N 3.36Å; I1106-K1110 HydrophobicContact CG2-CD 4.41Å; I1106-K1110 WeakPolarHBondContact O-CG 3.26Å; I1106-K1110 PolarHBondContact O-N 3.41Å; I1106-K1110 VanDerWaalsContact O-N 3.16Å
1107I89.9Confident89.6Confident3 Ų331 Ų312%0.01515%0.149CC..Hα-helixtrans-65.9-42.4179.6-66.7164.1000110.3I724 I772 I776 W966 D1103 Y1104 K1110 A1111I724-I1107 HydrophobicContact CD1-CD1 3.57Å; I724-I1107 HydrophobicContact CG1-CD1 4.32Å; I772-I1107 HydrophobicContact CG2-CG2 4.38Å; I776-I1107 HydrophobicContact CG1-CD1 3.75Å; I776-I1107 HydrophobicContact CG1-CG1 4.49Å; W966-I1107 HydrophobicContact CH2-CB 4.13Å; W966-I1107 HydrophobicContact CH2-CG2 3.85Å; W966-I1107 HydrophobicContact CZ2-CB 4.47Å; W966-I1107 HydrophobicContact CZ2-CG2 3.91Å; W966-I1107 HydrophobicContact CZ3-CG2 4.24Å; D1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; D1103-I1107 PolarHBondContact O-N 2.92Å; D1103-I1107 VanDerWaalsContact O-N 3.07Å; Y1104-I1107 PolarHBondContact O-N 2.94Å; I1107-K1110 PolarHBondContact O-N 3.28Å; I1107-A1111 WeakPolarHBondContact O-CB 3.47Å; I1107-A1111 PolarHBondContact O-N 2.87Å
1108M93.5Very high89.9Confident0 Ų031.9 Ų31.90%015%0.153CC..Hα-helixtrans-59.5-47.2177.4-171.969.375.900112.5F962 W966 V993 D996 A997 L1000 Y1104 H1105 A1111 L1112F962-M1108 HydrophobicContact CE2-SD 3.76Å; F962-M1108 HydrophobicContact CZ-CE 4.37Å; F962-M1108 HydrophobicContact CZ-SD 3.54Å; F962-M1108 VanDerWaalsContact CZ-SD 3.54Å; W966-M1108 HydrophobicContact CH2-CE 4.32Å; W966-M1108 HydrophobicContact CZ2-CB 4.09Å; W966-M1108 HydrophobicContact CZ2-CE 3.68Å; W966-M1108 HydrophobicContact CZ2-SD 3.95Å; V993-M1108 HydrophobicContact CG1-CE 3.92Å; D996-M1108 HydrophobicContact CB-CE 4.03Å; A997-M1108 HydrophobicContact CB-CE 4.29Å; A997-M1108 HydrophobicContact CB-SD 3.62Å; L1000-M1108 HydrophobicContact CD2-CB 4.16Å; L1000-M1108 HydrophobicContact CD2-CG 3.67Å; Y1104-M1108 HydrophobicContact CE1-CE 3.91Å; Y1104-M1108 HydrophobicContact CE2-CE 4.3Å; Y1104-M1108 VanDerWaalsContact O-CB 3.31Å; Y1104-M1108 WeakPolarHBondContact O-CB 3.46Å; Y1104-M1108 PolarHBondContact O-N 3.44Å; Y1104-M1108 WeakPolarHBondContact OH-CE 3.34Å; H1105-M1108 PolarHBondContact O-N 2.86Å; M1108-A1111 PolarHBondContact O-N 3.11Å; M1108-L1112 HydrophobicContact CG-CD1 4.19Å; M1108-L1112 WeakPolarHBondContact O-CB 3.21Å; M1108-L1112 WeakPolarHBondContact O-CG 3.25Å; M1108-L1112 PolarHBondContact O-N 2.98Å
1109A94.2Very high90.6Very high0 Ų027 Ų270%013%0.13CC..Hα-helixtrans-63.6-44.5-179.900000111.5L1000 L1090 M1093 F1097 H1105 L1112 A1113L1000-A1109 HydrophobicContact CD2-CB 4.45Å; L1090-A1109 HydrophobicContact CD1-CB 4.09Å; M1093-A1109 HydrophobicContact CE-CB 4.18Å; F1097-A1109 HydrophobicContact CE2-CB 4.24Å; H1105-A1109 VanDerWaalsContact O-CB 3.23Å; H1105-A1109 WeakPolarHBondContact O-CB 3.38Å; H1105-A1109 PolarHBondContact O-N 3.28Å; A1109-L1112 PolarHBondContact O-N 3.09Å; A1109-A1113 WeakPolarHBondContact O-CB 3.37Å; A1109-A1113 PolarHBondContact O-N 2.91Å
1110K93.3Very high91.4Very high23 Ų2320 Ų2010%0.110%0.1CC..Hα-helixtrans-61.8-43.6175.5-71.3-179.3175.8-175.70111.8D771 I772 L1090 V1094 I1106 I1107 A1113 D1114D771-K1110 IonicContact OD1-NZ 2.78Å; D771-K1110 PolarHBondContact OD1-NZ 2.96Å; D771-K1110 IonicContact OD2-NZ 3.77Å; D771-K1110 PolarHBondContact OD2-NZ 2.86Å; I772-K1110 HydrophobicContact CD1-CB 3.88Å; I772-K1110 HydrophobicContact CG1-CB 4.09Å; I772-K1110 HydrophobicContact CG1-CD 4Å; L1090-K1110 HydrophobicContact CD1-CG 4.36Å; L1090-K1110 HydrophobicContact CD2-CG 4.31Å; V1094-K1110 HydrophobicContact CG2-CG 4.16Å; I1106-K1110 HydrophobicContact CG2-CD 4.41Å; I1106-K1110 WeakPolarHBondContact O-CG 3.26Å; I1106-K1110 PolarHBondContact O-N 3.41Å; I1106-K1110 VanDerWaalsContact O-N 3.16Å; I1107-K1110 PolarHBondContact O-N 3.28Å; K1110-A1113 PolarHBondContact O-N 3.43Å; K1110-D1114 WeakPolarHBondContact O-CB 3.47Å; K1110-D1114 PolarHBondContact O-N 2.72Å; K1110-D1114 VanDerWaalsContact O-N 3.07Å
1111A93.2Very high92.2Very high0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-64.1-44.5177.800000112.2F962 I965 I1107 M1108 D1114 R1115F962-A1111 HydrophobicContact CD2-CB 4.09Å; F962-A1111 HydrophobicContact CE2-CB 4.04Å; I965-A1111 HydrophobicContact CD1-CB 3.9Å; I965-A1111 HydrophobicContact CG2-CB 4.45Å; I1107-A1111 WeakPolarHBondContact O-CB 3.47Å; I1107-A1111 PolarHBondContact O-N 2.87Å; M1108-A1111 PolarHBondContact O-N 3.11Å; A1111-D1114 PolarHBondContact O-N 3.21Å; A1111-R1115 VanDerWaalsContact O-CG 3.28Å; A1111-R1115 WeakPolarHBondContact O-CG 3.29Å; A1111-R1115 PolarHBondContact O-N 2.94Å
1112L97Very high93.2Very high0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-64.1-42.9177.3-75175000112.2W959 F962 A997 L1000 L1001 I1004 M1108 A1109 D1114 R1115 L1116W959-L1112 HydrophobicContact CH2-CD2 4.33Å; W959-L1112 HydrophobicContact CZ3-CD2 4.45Å; F962-L1112 HydrophobicContact CE2-CD2 4.3Å; A997-L1112 HydrophobicContact CB-CD2 4.26Å; L1000-L1112 HydrophobicContact CB-CD1 4.09Å; L1000-L1112 HydrophobicContact CD2-CD1 3.93Å; L1000-L1112 HydrophobicContact CG-CD1 4.02Å; L1001-L1112 HydrophobicContact CB-CD1 4.31Å; L1001-L1112 HydrophobicContact CB-CD2 4.46Å; I1004-L1112 HydrophobicContact CD1-CD1 4.05Å; M1108-L1112 HydrophobicContact CG-CD1 4.19Å; M1108-L1112 WeakPolarHBondContact O-CB 3.21Å; M1108-L1112 WeakPolarHBondContact O-CG 3.25Å; M1108-L1112 PolarHBondContact O-N 2.98Å; A1109-L1112 PolarHBondContact O-N 3.09Å; L1112-D1114 PolarHBondContact O-N 2.97Å; L1112-R1115 PolarHBondContact O-N 3.03Å; L1112-L1116 WeakPolarHBondContact O-CB 3.36Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 2.67Å
1113A96.6Very high93.8Very high0 Ų012.3 Ų12.30%06%0.059CC..Hα-helixtrans-61.3-44.4177.300000111.8L1010 L1090 A1109 K1110 L1116 S1117 A1196L1010-A1113 HydrophobicContact CD1-CB 3.9Å; L1090-A1113 HydrophobicContact CD1-CB 4.19Å; L1090-A1113 HydrophobicContact CD2-CB 3.88Å; A1109-A1113 WeakPolarHBondContact O-CB 3.37Å; A1109-A1113 PolarHBondContact O-N 2.91Å; K1110-A1113 PolarHBondContact O-N 3.43Å; A1113-L1116 PolarHBondContact O-N 3.37Å; A1113-S1117 PolarHBondContact O-N 3.42Å; A1113-A1196 HydrophobicContact CB-CB 3.69Å
1114D94.9Very high94.5Very high44 Ų4411 Ų1124%0.2355%0.052CC..Hα-helixtrans-60.2-47.2175.7175.570.3000111.8K1110 A1111 L1112 L1116 S1117 E1118K1110-D1114 WeakPolarHBondContact O-CB 3.47Å; K1110-D1114 PolarHBondContact O-N 2.72Å; K1110-D1114 VanDerWaalsContact O-N 3.07Å; A1111-D1114 PolarHBondContact O-N 3.21Å; L1112-D1114 PolarHBondContact O-N 2.97Å; D1114-L1116 PolarHBondContact O-N 3.41Å; D1114-S1117 PolarHBondContact O-N 2.87Å; D1114-S1117 VanDerWaalsContact O-N 3.12Å; D1114-S1117 PolarHBondContact O-OG 2.99Å; D1114-E1118 PolarHBondContact O-N 3.48Å; D1114-E1118 VanDerWaalsContact O-N 3.1Å
1115R95.3Very high95Very high29 Ų2911 Ų1111%0.1095%0.051CC..Hα-helixtrans-62.9-38.3175.7-67.6-55.689.7-162.22.6113.5I957 D958 F962 A1111 L1112 S1117 E1118 A1119I957-R1115 HydrophobicContact CG2-CB 4.14Å; D958-R1115 WeakPolarHBondContact O-CD 3.45Å; F962-R1115 HydrophobicContact CB-CG 3.93Å; F962-R1115 HydrophobicContact CD2-CG 4.32Å; A1111-R1115 VanDerWaalsContact O-CG 3.28Å; A1111-R1115 WeakPolarHBondContact O-CG 3.29Å; A1111-R1115 PolarHBondContact O-N 2.94Å; L1112-R1115 PolarHBondContact O-N 3.03Å; R1115-S1117 VanDerWaalsContact C-N 3.31Å; R1115-E1118 PolarHBondContact O-N 3.37Å; R1115-A1119 VanDerWaalsContact O-CB 3.27Å; R1115-A1119 WeakPolarHBondContact O-CB 3.41Å; R1115-A1119 PolarHBondContact O-N 3.03Å
1116L97.7Very high95.3Very high0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-64.1-36.9173.9-76169000111.4L953 I957 L1001 L1010 A1086 L1112 A1113 D1114 A1119 F1120L953-L1116 HydrophobicContact CB-CD2 4.06Å; I957-L1116 HydrophobicContact CD1-CD2 4.09Å; L1001-L1116 HydrophobicContact CD1-CD1 4.13Å; L1001-L1116 HydrophobicContact CD1-CD2 4.3Å; L1001-L1116 HydrophobicContact CD1-CG 4.49Å; L1010-L1116 HydrophobicContact CD1-CD1 4.29Å; A1086-L1116 HydrophobicContact CB-CB 3.62Å; L1112-L1116 WeakPolarHBondContact O-CB 3.36Å; L1112-L1116 WeakPolarHBondContact O-CG 3.42Å; L1112-L1116 PolarHBondContact O-N 2.67Å; A1113-L1116 PolarHBondContact O-N 3.37Å; D1114-L1116 PolarHBondContact O-N 3.41Å; L1116-A1119 PolarHBondContact O-N 3.19Å; L1116-F1120 WeakPolarHBondContact O-CB 3.48Å; L1116-F1120 PolarHBondContact O-N 3.35Å
1117S97.4Very high95.7Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-67.9-38.7177.472.30000113V1084 A1113 D1114 R1115 F1120 A1121 A1196V1084-S1117 WeakPolarHBondContact CG2-O 3.34Å; A1113-S1117 PolarHBondContact O-N 3.42Å; D1114-S1117 PolarHBondContact O-N 2.87Å; D1114-S1117 VanDerWaalsContact O-N 3.12Å; D1114-S1117 PolarHBondContact O-OG 2.99Å; R1115-S1117 VanDerWaalsContact C-N 3.31Å; S1117-F1120 PolarHBondContact O-N 2.89Å; S1117-A1121 PolarHBondContact O-N 3.23Å; S1117-A1196 WeakPolarHBondContact CB-O 3.36Å
1118E96.2Very high96Very high56 Ų5612.5 Ų12.526%0.2626%0.056SC..Hα-helixtrans-69.5-40.9173.4-75.1-73.3-165.800112.5D1114 R1115 F1120 A1121 E1122 R1155 V1198D1114-E1118 PolarHBondContact O-N 3.48Å; D1114-E1118 VanDerWaalsContact O-N 3.1Å; R1115-E1118 PolarHBondContact O-N 3.37Å; E1118-F1120 VanDerWaalsContact C-N 3.27Å; E1118-F1120 PolarHBondContact O-N 3.48Å; E1118-A1121 PolarHBondContact O-N 2.69Å; E1118-E1122 PolarHBondContact O-N 3.28Å; E1118-R1155 IonicContact OE2-NH1 3.97Å; E1118-V1198 HydrophobicContact CG-CG2 4.24Å
1119A97Very high96.1Very high2 Ų212.5 Ų12.52%0.0176%0.056CC..Hα-helixtrans-58.4-41.5172.500000111.3L953 I957 R1115 L1116 E1122 E1123L953-A1119 HydrophobicContact CB-CB 4.39Å; I957-A1119 HydrophobicContact CG1-CB 4.2Å; R1115-A1119 VanDerWaalsContact O-CB 3.27Å; R1115-A1119 WeakPolarHBondContact O-CB 3.41Å; R1115-A1119 PolarHBondContact O-N 3.03Å; L1116-A1119 PolarHBondContact O-N 3.19Å; A1119-E1122 PolarHBondContact O-N 3.1Å; A1119-E1123 WeakPolarHBondContact O-CB 3.44Å; A1119-E1123 PolarHBondContact O-N 3.42Å
1120F98Very high96.2Very high0 Ų014.5 Ų14.50%07%0.068CC..Hα-helixtrans-66.4-37.8176.5-161.9-169.8000112.5Y948 L953 A1012 K1013 A1014 V1084 L1116 S1117 E1118 E1123 M1124Y948-F1120 HydrophobicContact CD1-CD2 4.18Å; Y948-F1120 AromaticContact CD1-CE2 3.51Å; Y948-F1120 HydrophobicContact CD1-CE2 3.51Å; Y948-F1120 AromaticContact CD1-CZ 3.98Å; Y948-F1120 HydrophobicContact CD1-CZ 3.98Å; Y948-F1120 HydrophobicContact CD2-CE2 4.12Å; Y948-F1120 HydrophobicContact CD2-CZ 4.2Å; Y948-F1120 HydrophobicContact CE1-CD2 4.42Å; Y948-F1120 AromaticContact CE1-CE2 3.88Å; Y948-F1120 HydrophobicContact CE1-CE2 3.88Å; Y948-F1120 HydrophobicContact CE2-CE2 4.46Å; Y948-F1120 AromaticContact CG-CE2 3.62Å; Y948-F1120 HydrophobicContact CG-CE2 3.62Å; Y948-F1120 AromaticContact CG-CZ 3.67Å; Y948-F1120 HydrophobicContact CG-CZ 3.67Å; L953-F1120 HydrophobicContact CD1-CB 3.85Å; L953-F1120 HydrophobicContact CD1-CD1 4.44Å; L953-F1120 HydrophobicContact CD1-CD2 4.23Å; L953-F1120 HydrophobicContact CD1-CG 3.96Å; L953-F1120 HydrophobicContact CD2-CB 4.11Å; L953-F1120 HydrophobicContact CD2-CD2 3.73Å; L953-F1120 HydrophobicContact CD2-CE2 4.48Å; L953-F1120 HydrophobicContact CD2-CG 4.17Å; A1012-F1120 HydrophobicContact CB-CD1 4.1Å; A1012-F1120 HydrophobicContact CB-CE1 3.78Å; A1012-F1120 HydrophobicContact CB-CZ 4.42Å; K1013-F1120 VanDerWaalsContact C-CE1 3.45Å; K1013-F1120 WeakPolarHBondContact O-CE1 3.28Å; A1014-F1120 HydrophobicContact CB-CD1 4.45Å; A1014-F1120 HydrophobicContact CB-CE1 3.61Å; A1014-F1120 HydrophobicContact CB-CE2 4.02Å; A1014-F1120 HydrophobicContact CB-CZ 3.35Å; V1084-F1120 HydrophobicContact CB-CB 4.44Å; V1084-F1120 HydrophobicContact CB-CD1 3.68Å; V1084-F1120 HydrophobicContact CB-CE1 4.19Å; V1084-F1120 HydrophobicContact CB-CG 4.13Å; V1084-F1120 HydrophobicContact CG1-CD1 4.21Å; V1084-F1120 HydrophobicContact CG1-CG 4.34Å; V1084-F1120 HydrophobicContact CG2-CB 4.25Å; V1084-F1120 HydrophobicContact CG2-CD1 4.31Å; V1084-F1120 HydrophobicContact CG2-CG 4.47Å; L1116-F1120 WeakPolarHBondContact O-CB 3.48Å; L1116-F1120 PolarHBondContact O-N 3.35Å; S1117-F1120 PolarHBondContact O-N 2.89Å; E1118-F1120 VanDerWaalsContact C-N 3.27Å; E1118-F1120 PolarHBondContact O-N 3.48Å; F1120-E1123 WeakPolarHBondContact CD2-OE2 3.39Å; F1120-E1123 PolarHBondContact O-N 2.93Å; F1120-M1124 HydrophobicContact CD2-CE 4.1Å; F1120-M1124 HydrophobicContact CD2-CG 3.9Å; F1120-M1124 HydrophobicContact CE2-CE 3.64Å; F1120-M1124 HydrophobicContact CE2-CG 3.93Å; F1120-M1124 HydrophobicContact CE2-SD 4.05Å; F1120-M1124 WeakPolarHBondContact O-CB 3.22Å; F1120-M1124 VanDerWaalsContact O-CG 3.28Å; F1120-M1124 WeakPolarHBondContact O-CG 3.3Å; F1120-M1124 PolarHBondContact O-N 3.33Å
1121A97.3Very high96.3Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-66.5-37.4176.300000112.3F1082 V1084 S1117 E1118 H1125 R1155 V1198F1082-A1121 HydrophobicContact CE2-CB 3.84Å; F1082-A1121 HydrophobicContact CZ-CB 4.35Å; V1084-A1121 HydrophobicContact CG2-CB 3.95Å; S1117-A1121 PolarHBondContact O-N 3.23Å; E1118-A1121 PolarHBondContact O-N 2.69Å; A1121-H1125 WeakPolarHBondContact O-CB 3.44Å; A1121-H1125 PolarHBondContact O-N 2.94Å; A1121-R1155 VanDerWaalsContact CB-NH1 3.29Å; A1121-V1198 HydrophobicContact CB-CB 4.18Å; A1121-V1198 HydrophobicContact CB-CG1 3.99Å
1122E96Very high96.5Very high8 Ų817.7 Ų17.74%0.0378%0.084CC..Hα-helixtrans-68.5-44.3174.8-168.861.6-131.500111.7Y956 E1118 A1119 H1125 E1126 R1129 L1146 Y1151 R1155Y956-E1122 HydrophobicContact CD1-CG 4.24Å; E1118-E1122 PolarHBondContact O-N 3.28Å; A1119-E1122 PolarHBondContact O-N 3.1Å; E1122-H1125 PolarHBondContact O-N 3.44Å; E1122-H1125 VanDerWaalsContact O-N 3.17Å; E1122-E1126 PolarHBondContact O-N 3.02Å; E1122-R1129 IonicContact OE1-NH1 2.62Å; E1122-L1146 HydrophobicContact CG-CB 4.22Å; E1122-L1146 HydrophobicContact CG-CD1 4.34Å; E1122-Y1151 WeakPolarHBondContact OE1-CE1 3.37Å; E1122-R1155 IonicContact OE2-CZ 3.84Å; E1122-R1155 IonicContact OE2-NE 2.78Å; E1122-R1155 IonicContact OE2-NH2 3.35Å; E1122-R1155 PolarHBondContact OE2-NH2 2.78Å
1123E95.9Very high96.4Very high11 Ų1117.8 Ų17.85%0.0518%0.084CC..Hα-helixtrans-65-42.9178-174.9-99.2144.200112Y948 L953 Y956 A1119 F1120 H1125 E1126 R1127Y948-E1123 WeakPolarHBondContact CE1-OE2 3.22Å; Y948-E1123 VanDerWaalsContact OH-CD 3.3Å; Y948-E1123 PolarHBondContact OH-OE1 2.88Å; Y948-E1123 PolarHBondContact OH-OE2 3.08Å; L953-E1123 HydrophobicContact CD2-CB 4.17Å; L953-E1123 HydrophobicContact CD2-CG 4.24Å; L953-E1123 WeakPolarHBondContact CD2-OE2 3.42Å; Y956-E1123 HydrophobicContact CD1-CB 4.46Å; Y956-E1123 HydrophobicContact CD2-CB 4.2Å; Y956-E1123 HydrophobicContact CD2-CG 4.33Å; Y956-E1123 HydrophobicContact CE1-CB 4.42Å; Y956-E1123 HydrophobicContact CE2-CB 4.19Å; Y956-E1123 HydrophobicContact CE2-CG 3.93Å; Y956-E1123 HydrophobicContact CG-CB 4.35Å; A1119-E1123 WeakPolarHBondContact O-CB 3.44Å; A1119-E1123 PolarHBondContact O-N 3.42Å; F1120-E1123 WeakPolarHBondContact CD2-OE2 3.39Å; F1120-E1123 PolarHBondContact O-N 2.93Å; E1123-H1125 VanDerWaalsContact C-N 3.32Å; E1123-H1125 PolarHBondContact O-N 2.94Å; E1123-E1126 PolarHBondContact O-N 3.14Å; E1123-R1127 WeakPolarHBondContact O-CG 3.49Å; E1123-R1127 PolarHBondContact O-N 3.11Å; E1123-R1127 WeakPolarHBondContact OE1-CD 3.46Å
1124M97.2Very high96.3Very high0 Ų018.2 Ų18.20%09%0.089CC..Hα-helixtrans-61.1-39.2170.6-72.9-59.995.600112.3F945 Y948 A1014 V1016 V1084 F1120 R1127 V1128F945-M1124 HydrophobicContact CD2-SD 3.84Å; F945-M1124 HydrophobicContact CE2-SD 3.78Å; F945-M1124 HydrophobicContact CG-SD 4.38Å; F945-M1124 HydrophobicContact CZ-SD 4.27Å; Y948-M1124 HydrophobicContact CE2-CE 4.29Å; A1014-M1124 HydrophobicContact CB-CG 4.14Å; A1014-M1124 HydrophobicContact CB-SD 4.11Å; V1016-M1124 HydrophobicContact CG2-SD 4.3Å; V1084-M1124 HydrophobicContact CG1-CG 3.96Å; F1120-M1124 HydrophobicContact CD2-CE 4.1Å; F1120-M1124 HydrophobicContact CD2-CG 3.9Å; F1120-M1124 HydrophobicContact CE2-CE 3.64Å; F1120-M1124 HydrophobicContact CE2-CG 3.93Å; F1120-M1124 HydrophobicContact CE2-SD 4.05Å; F1120-M1124 WeakPolarHBondContact O-CB 3.22Å; F1120-M1124 VanDerWaalsContact O-CG 3.28Å; F1120-M1124 WeakPolarHBondContact O-CG 3.3Å; F1120-M1124 PolarHBondContact O-N 3.33Å; M1124-R1127 PolarHBondContact O-N 2.77Å; M1124-V1128 VanDerWaalsContact O-CG2 3.31Å; M1124-V1128 WeakPolarHBondContact O-CG2 3.39Å; M1124-V1128 PolarHBondContact O-N 3Å
1125H96.6Very high96.3Very high0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-65.3-45.9176.9-169.6-163.7000110.9A1121 E1122 E1123 R1127 V1128 R1129 Y1135 Y1151 R1155 Y1202A1121-H1125 WeakPolarHBondContact O-CB 3.44Å; A1121-H1125 PolarHBondContact O-N 2.94Å; E1122-H1125 PolarHBondContact O-N 3.44Å; E1122-H1125 VanDerWaalsContact O-N 3.17Å; E1123-H1125 VanDerWaalsContact C-N 3.32Å; E1123-H1125 PolarHBondContact O-N 2.94Å; H1125-R1127 VanDerWaalsContact C-N 3.3Å; H1125-R1127 PolarHBondContact O-N 3.32Å; H1125-V1128 CarbonylContact O-C 3.3Å; H1125-V1128 WeakPolarHBondContact O-CA 3.4Å; H1125-V1128 WeakPolarHBondContact O-CB 3.36Å; H1125-V1128 PolarHBondContact O-N 3.23Å; H1125-R1129 PolarHBondContact CD2-NH1 3.01Å; H1125-R1129 PolarHBondContact CE1-NH1 3.04Å; H1125-R1129 VanDerWaalsContact CE1-NH1 3.3Å; H1125-R1129 PolarHBondContact ND1-NH1 2.79Å; H1125-R1129 VanDerWaalsContact O-CG 3.31Å; H1125-R1129 WeakPolarHBondContact O-CG 3.13Å; H1125-R1129 PolarHBondContact O-N 3.14Å; H1125-Y1135 PolarHBondContact NE2-OH 3.39Å; H1125-Y1151 AromaticContact CE1-CD2 3.79Å; H1125-Y1151 AromaticContact CE1-CE2 3.44Å; H1125-Y1151 VanDerWaalsContact CE1-CE2 3.44Å; H1125-Y1151 WeakPolarHBondContact CE1-CE2 3.22Å; H1125-Y1151 AromaticContact ND1-CE2 3.76Å; H1125-Y1151 AromaticContact ND1-CZ 3.85Å; H1125-R1155 WeakPolarHBondContact ND1-CD 3.43Å; H1125-Y1202 HydrophobicContact CB-CE1 3.7Å; H1125-Y1202 AromaticContact CD2-CD1 3.48Å; H1125-Y1202 VanDerWaalsContact CD2-CD1 3.48Å; H1125-Y1202 WeakPolarHBondContact CD2-CD1 3.33Å; H1125-Y1202 AromaticContact CD2-CE1 3.44Å; H1125-Y1202 VanDerWaalsContact CD2-CE1 3.44Å; H1125-Y1202 WeakPolarHBondContact CD2-CE1 3.44Å; H1125-Y1202 AromaticContact CG-CD1 3.99Å; H1125-Y1202 AromaticContact CG-CE1 3.54Å; H1125-Y1202 AromaticContact NE2-CD1 3.84Å
1126E96Very high96.2Very high39 Ų3916.8 Ų16.818%0.1828%0.084CC..Hα-helixtrans-55.2-45.4175.4-175.2178.9175.200111.8Y956 E1122 E1123 V1128 R1129 T1130Y956-E1126 WeakPolarHBondContact CE1-OE2 3.43Å; Y956-E1126 PolarHBondContact OH-OE2 3.19Å; E1122-E1126 PolarHBondContact O-N 3.02Å; E1123-E1126 PolarHBondContact O-N 3.14Å; E1126-V1128 VanDerWaalsContact C-N 3.32Å; E1126-V1128 PolarHBondContact O-N 3.5Å; E1126-R1129 PolarHBondContact O-N 3.45Å; E1126-T1130 HydrophobicContact CG-CG2 4.43Å; E1126-T1130 WeakPolarHBondContact O-CB 3.47Å; E1126-T1130 WeakPolarHBondContact O-CG2 3.26Å; E1126-T1130 PolarHBondContact O-N 3.31Å; E1126-T1130 PolarHBondContact O-OG1 3.33Å
1127R95.7Very high95.9Very high51 Ų5122.7 Ų22.719%0.19211%0.112CC..Hα-helixtrans-64.5-35.3175.1-69-172.166.3-173.20.4112.9Y948 E1123 M1124 H1125 E1131 I1132Y948-R1127 PolarHBondContact OH-NH1 3Å; E1123-R1127 WeakPolarHBondContact O-CG 3.49Å; E1123-R1127 PolarHBondContact O-N 3.11Å; E1123-R1127 WeakPolarHBondContact OE1-CD 3.46Å; M1124-R1127 PolarHBondContact O-N 2.77Å; H1125-R1127 VanDerWaalsContact C-N 3.3Å; H1125-R1127 PolarHBondContact O-N 3.32Å; R1127-E1131 IonicContact CZ-OE2 2.7Å; R1127-E1131 IonicContact NE-OE2 3.68Å; R1127-E1131 PolarHBondContact NE-OE2 3.45Å; R1127-E1131 IonicContact NH2-OE1 2.71Å; R1127-E1131 IonicContact NH2-OE2 3.61Å; R1127-E1131 PolarHBondContact NH2-OE2 3.31Å; R1127-E1131 CarbonylContact O-C 3.52Å; R1127-E1131 WeakPolarHBondContact O-CA 3.44Å; R1127-E1131 WeakPolarHBondContact O-CB 3.42Å; R1127-E1131 PolarHBondContact O-N 3.37Å; R1127-I1132 HydrophobicContact CB-CD1 4.32Å; R1127-I1132 PolarHBondContact O-N 3Å
1128V97.2Very high95.6Very high0 Ų030.6 Ų30.60%015%0.154CC..Iπ-helixtrans-63.4-45.6172.4169.10000110.7V1016 M1124 H1125 E1126 I1132 W1133 G1134 Y1202V1016-V1128 HydrophobicContact CG1-CG2 3.8Å; M1124-V1128 VanDerWaalsContact O-CG2 3.31Å; M1124-V1128 WeakPolarHBondContact O-CG2 3.39Å; M1124-V1128 PolarHBondContact O-N 3Å; H1125-V1128 CarbonylContact O-C 3.3Å; H1125-V1128 WeakPolarHBondContact O-CA 3.4Å; H1125-V1128 WeakPolarHBondContact O-CB 3.36Å; H1125-V1128 PolarHBondContact O-N 3.23Å; E1126-V1128 VanDerWaalsContact C-N 3.32Å; E1126-V1128 PolarHBondContact O-N 3.5Å; V1128-I1132 HydrophobicContact CG2-CB 4.42Å; V1128-I1132 HydrophobicContact CG2-CD1 4.13Å; V1128-W1133 HydrophobicContact CG1-CB 3.94Å; V1128-W1133 HydrophobicContact CG1-CE3 4.09Å; V1128-W1133 WeakPolarHBondContact O-CA 3.41Å; V1128-W1133 WeakPolarHBondContact O-CB 3.29Å; V1128-W1133 PolarHBondContact O-N 3.15Å; V1128-G1134 PolarHBondContact O-N 3.42Å; V1128-G1134 VanDerWaalsContact O-N 3.15Å; V1128-Y1202 HydrophobicContact CB-CD2 4.49Å; V1128-Y1202 HydrophobicContact CB-CE2 4.34Å; V1128-Y1202 HydrophobicContact CG1-CD2 4.02Å; V1128-Y1202 HydrophobicContact CG1-CE2 4.36Å; V1128-Y1202 HydrophobicContact CG1-CG 4.28Å; V1128-Y1202 HydrophobicContact CG2-CD2 4.18Å; V1128-Y1202 HydrophobicContact CG2-CE2 3.75Å
1129R96.2Very high95.5Very high0 Ų029.5 Ų29.50%015%0.149CC..Iπ-helixtrans-64-43.1180-61.7-161.4-64-81.9-5.2112.9E1122 H1125 E1126 G1134 Y1135 A1136 E1139 Y1151E1122-R1129 IonicContact OE1-NH1 2.62Å; H1125-R1129 PolarHBondContact CD2-NH1 3.01Å; H1125-R1129 PolarHBondContact CE1-NH1 3.04Å; H1125-R1129 VanDerWaalsContact CE1-NH1 3.3Å; H1125-R1129 PolarHBondContact ND1-NH1 2.79Å; H1125-R1129 VanDerWaalsContact O-CG 3.31Å; H1125-R1129 WeakPolarHBondContact O-CG 3.13Å; H1125-R1129 PolarHBondContact O-N 3.14Å; E1126-R1129 PolarHBondContact O-N 3.45Å; R1129-G1134 CarbonylContact O-C 3.6Å; R1129-G1134 VanDerWaalsContact O-C 3.3Å; R1129-G1134 WeakPolarHBondContact O-CA 3.47Å; R1129-G1134 PolarHBondContact O-N 3.45Å; R1129-Y1135 HydrophobicContact CB-CE2 4.26Å; R1129-Y1135 HydrophobicContact CG-CE1 4.18Å; R1129-Y1135 HydrophobicContact CG-CE2 3.9Å; R1129-Y1135 WeakPolarHBondContact CG-OH 3.31Å; R1129-Y1135 PolarHBondContact O-N 3.11Å; R1129-A1136 HydrophobicContact CB-CB 4.35Å; R1129-A1136 PolarHBondContact O-N 3.49Å; R1129-E1139 IonicContact CZ-OE1 3.72Å; R1129-E1139 IonicContact CZ-OE2 3.58Å; R1129-E1139 IonicContact NE-OE1 3.41Å; R1129-E1139 PolarHBondContact NE-OE1 2.93Å; R1129-E1139 VanDerWaalsContact NE-OE1 3.12Å; R1129-E1139 IonicContact NE-OE2 3.53Å; R1129-E1139 PolarHBondContact NE-OE2 3.41Å; R1129-E1139 IonicContact NH2-OE1 2.74Å; R1129-E1139 PolarHBondContact NH2-OE1 3.49Å; R1129-E1139 IonicContact NH2-OE2 2.74Å; R1129-Y1151 VanDerWaalsContact NE-CB 3.31Å
1130T96.1Very high95.2Very high41 Ų4134.2 Ų34.225%0.25219%0.188SC..Iπ-helixtrans-97-32.4-169570000114.3E1126 E1139E1126-T1130 HydrophobicContact CG-CG2 4.43Å; E1126-T1130 WeakPolarHBondContact O-CB 3.47Å; E1126-T1130 WeakPolarHBondContact O-CG2 3.26Å; E1126-T1130 PolarHBondContact O-N 3.31Å; E1126-T1130 PolarHBondContact O-OG1 3.33Å; T1130-E1139 HydrophobicContact CG2-CB 4.03Å
1131E95.5Very high95Very high88 Ų8836.9 Ų36.941%0.41120%0.202SC..Iπ-helixtrans-120.2-60.1-170.6-171.6-154.914700112.5N938 R943 R1127N938-E1131 WeakPolarHBondContact CB-O 3.46Å; N938-E1131 PolarHBondContact ND2-O 2.93Å; R943-E1131 IonicContact NH1-OE1 3.73Å; R943-E1131 PolarHBondContact NH1-OE1 3.23Å; R1127-E1131 IonicContact CZ-OE2 2.7Å; R1127-E1131 IonicContact NE-OE2 3.68Å; R1127-E1131 PolarHBondContact NE-OE2 3.45Å; R1127-E1131 IonicContact NH2-OE1 2.71Å; R1127-E1131 IonicContact NH2-OE2 3.61Å; R1127-E1131 PolarHBondContact NH2-OE2 3.31Å; R1127-E1131 CarbonylContact O-C 3.52Å; R1127-E1131 WeakPolarHBondContact O-CA 3.44Å; R1127-E1131 WeakPolarHBondContact O-CB 3.42Å; R1127-E1131 PolarHBondContact O-N 3.37Å
1132I96.1Very high94.8Very high2 Ų240.3 Ų40.31%0.0123%0.226CC..Iπ-helixtrans-76.1-47.3-165.9-52174.3000111.4N938 F939 F945 I1018 R1127 V1128N938-I1132 WeakPolarHBondContact CB-O 3.45Å; N938-I1132 PolarHBondContact N-O 2.84Å; F939-I1132 HydrophobicContact CB-CG2 3.96Å; F939-I1132 HydrophobicContact CD1-CG2 3.92Å; F939-I1132 HydrophobicContact CG-CG2 4.34Å; F939-I1132 PolarHBondContact N-O 2.92Å; F945-I1132 HydrophobicContact CZ-CD1 4.11Å; I1018-I1132 HydrophobicContact CD1-CG2 3.88Å; R1127-I1132 HydrophobicContact CB-CD1 4.32Å; R1127-I1132 PolarHBondContact O-N 3Å; V1128-I1132 HydrophobicContact CG2-CB 4.42Å; V1128-I1132 HydrophobicContact CG2-CD1 4.13Å
1133W95.7Very high94.4Very high2 Ų242.1 Ų42.11%0.00824%0.238CC..SBendtrans-91.9-43.9168.9-159.8-35.7000109.9A935 P937 N938 I1018 Y1078 V1128 Y1135 A1204A935-W1133 PolarHBondContact O-NE1 2.98Å; P937-W1133 WeakPolarHBondContact CA-O 2.96Å; P937-W1133 HydrophobicContact CB-CG 4.09Å; P937-W1133 HydrophobicContact CG-CD2 4.27Å; P937-W1133 HydrophobicContact CG-CG 4.11Å; N938-W1133 PolarHBondContact N-O 3.3Å; I1018-W1133 HydrophobicContact CD1-CB 3.85Å; I1018-W1133 HydrophobicContact CD1-CD2 4.29Å; I1018-W1133 HydrophobicContact CD1-CE3 4.17Å; I1018-W1133 HydrophobicContact CD1-CG 4.19Å; Y1078-W1133 VanDerWaalsContact O-CH2 3.31Å; Y1078-W1133 WeakPolarHBondContact O-CH2 3.29Å; V1128-W1133 HydrophobicContact CG1-CB 3.94Å; V1128-W1133 HydrophobicContact CG1-CE3 4.09Å; V1128-W1133 WeakPolarHBondContact O-CA 3.41Å; V1128-W1133 WeakPolarHBondContact O-CB 3.29Å; V1128-W1133 PolarHBondContact O-N 3.15Å; W1133-Y1135 HydrophobicContact CB-CD1 3.84Å; W1133-Y1135 HydrophobicContact CB-CE1 4.31Å; W1133-Y1135 AromaticContact CD1-CD1 3.89Å; W1133-Y1135 AromaticContact CD2-CD1 3.83Å; W1133-Y1135 HydrophobicContact CD2-CD1 3.83Å; W1133-Y1135 HydrophobicContact CD2-CE1 4.13Å; W1133-Y1135 HydrophobicContact CE3-CD1 4.32Å; W1133-Y1135 HydrophobicContact CE3-CE1 4.14Å; W1133-Y1135 AromaticContact CG-CD1 3.61Å; W1133-Y1135 HydrophobicContact CG-CD1 3.61Å; W1133-Y1135 HydrophobicContact CG-CE1 4.23Å; W1133-A1204 HydrophobicContact CD2-CB 4.23Å; W1133-A1204 HydrophobicContact CE3-CB 4.45Å; W1133-A1204 HydrophobicContact CH2-CB 3.8Å; W1133-A1204 HydrophobicContact CZ2-CB 3.52Å; W1133-A1204 HydrophobicContact CZ3-CB 4.25Å
1134G94.8Very high93.9Very high10 Ų1046 Ų4610%0.10326%0.255CS..  trans73.930.8173.900000113.9V1128 R1129 A1136 E1137V1128-G1134 PolarHBondContact O-N 3.42Å; V1128-G1134 VanDerWaalsContact O-N 3.15Å; R1129-G1134 CarbonylContact O-C 3.6Å; R1129-G1134 VanDerWaalsContact O-C 3.3Å; R1129-G1134 WeakPolarHBondContact O-CA 3.47Å; R1129-G1134 PolarHBondContact O-N 3.45Å; G1134-A1136 VanDerWaalsContact C-N 3.31Å; G1134-E1137 WeakPolarHBondContact O-CG 3.36Å
1135Y93.7Very high93.5Very high23 Ų2346.8 Ų46.89%0.0926%0.262CS..THydrogen-bonded Turntrans-83.4-6.5177.265.2-105.6000113.9H1125 R1129 W1133 Q1152 A1204H1125-Y1135 PolarHBondContact NE2-OH 3.39Å; R1129-Y1135 HydrophobicContact CB-CE2 4.26Å; R1129-Y1135 HydrophobicContact CG-CE1 4.18Å; R1129-Y1135 HydrophobicContact CG-CE2 3.9Å; R1129-Y1135 WeakPolarHBondContact CG-OH 3.31Å; R1129-Y1135 PolarHBondContact O-N 3.11Å; W1133-Y1135 HydrophobicContact CB-CD1 3.84Å; W1133-Y1135 HydrophobicContact CB-CE1 4.31Å; W1133-Y1135 AromaticContact CD1-CD1 3.89Å; W1133-Y1135 AromaticContact CD2-CD1 3.83Å; W1133-Y1135 HydrophobicContact CD2-CD1 3.83Å; W1133-Y1135 HydrophobicContact CD2-CE1 4.13Å; W1133-Y1135 HydrophobicContact CE3-CD1 4.32Å; W1133-Y1135 HydrophobicContact CE3-CE1 4.14Å; W1133-Y1135 AromaticContact CG-CD1 3.61Å; W1133-Y1135 HydrophobicContact CG-CD1 3.61Å; W1133-Y1135 HydrophobicContact CG-CE1 4.23Å; Y1135-Q1152 HydrophobicContact CD2-CG 4.48Å; Y1135-Q1152 HydrophobicContact CE2-CB 4.2Å; Y1135-Q1152 HydrophobicContact CE2-CG 4.3Å; Y1135-Q1152 WeakPolarHBondContact CE2-O 3.28Å; Y1135-Q1152 PolarHBondContact OH-O 2.87Å; Y1135-A1204 HydrophobicContact CD1-CB 3.41Å; Y1135-A1204 VanDerWaalsContact CD1-CB 3.41Å; Y1135-A1204 HydrophobicContact CD2-CB 4.24Å; Y1135-A1204 HydrophobicContact CE1-CB 3.53Å; Y1135-A1204 HydrophobicContact CE2-CB 4.34Å; Y1135-A1204 HydrophobicContact CG-CB 3.77Å
1136A93.3Very high93.2Very high19 Ų1946.9 Ų46.916%0.15726%0.263CS..THydrogen-bonded Turntrans-143.257.2176.500000111R1129 G1134 D1138 E1139R1129-A1136 HydrophobicContact CB-CB 4.35Å; R1129-A1136 PolarHBondContact O-N 3.49Å; G1134-A1136 VanDerWaalsContact C-N 3.31Å; A1136-D1138 VanDerWaalsContact C-N 3.28Å; A1136-D1138 PolarHBondContact O-N 2.8Å; A1136-E1139 HydrophobicContact CB-CB 4.23Å; A1136-E1139 VanDerWaalsContact O-CB 3.24Å; A1136-E1139 WeakPolarHBondContact O-CB 3.38Å; A1136-E1139 PolarHBondContact O-N 3.18Å; A1136-E1139 VanDerWaalsContact O-N 3.12Å
1137E91.7Very high92.7Very high125 Ų12548.3 Ų48.358%0.58427%0.269SS*.THydrogen-bonded Turntrans-60.1-31.8-174.3-56.9-172.9162.100114.1G1134 E1139G1134-E1137 WeakPolarHBondContact O-CG 3.36Å; E1137-E1139 VanDerWaalsContact C-N 3.3Å; E1137-E1139 PolarHBondContact O-N 3.43Å
1138D92.1Very high92.2Very high165 Ų16551.2 Ų51.288%0.88228%0.283SS*.THydrogen-bonded Turntrans-86.88.3179.4-64.3-44.9000113.5A1136 A1140A1136-D1138 VanDerWaalsContact C-N 3.28Å; A1136-D1138 PolarHBondContact O-N 2.8Å; D1138-A1140 PolarHBondContact O-N 3.11Å
1139E93.6Very high91.9Very high34 Ų3455.1 Ų55.116%0.15930%0.303CS..  trans-64.3121.2-179.5-170.2-177.9110.700111.1R1129 T1130 A1136 E1137 L1141 Y1151R1129-E1139 IonicContact CZ-OE1 3.72Å; R1129-E1139 IonicContact CZ-OE2 3.58Å; R1129-E1139 IonicContact NE-OE1 3.41Å; R1129-E1139 PolarHBondContact NE-OE1 2.93Å; R1129-E1139 VanDerWaalsContact NE-OE1 3.12Å; R1129-E1139 IonicContact NE-OE2 3.53Å; R1129-E1139 PolarHBondContact NE-OE2 3.41Å; R1129-E1139 IonicContact NH2-OE1 2.74Å; R1129-E1139 PolarHBondContact NH2-OE1 3.49Å; R1129-E1139 IonicContact NH2-OE2 2.74Å; T1130-E1139 HydrophobicContact CG2-CB 4.03Å; A1136-E1139 HydrophobicContact CB-CB 4.23Å; A1136-E1139 VanDerWaalsContact O-CB 3.24Å; A1136-E1139 WeakPolarHBondContact O-CB 3.38Å; A1136-E1139 PolarHBondContact O-N 3.18Å; A1136-E1139 VanDerWaalsContact O-N 3.12Å; E1137-E1139 VanDerWaalsContact C-N 3.3Å; E1137-E1139 PolarHBondContact O-N 3.43Å; E1139-L1141 HydrophobicContact CG-CB 4.29Å; E1139-L1141 HydrophobicContact CG-CD1 3.8Å; E1139-L1141 HydrophobicContact CG-CG 3.66Å; E1139-Y1151 WeakPolarHBondContact OE2-CB 3.35Å
1140A91.8Very high91.6Very high101 Ų10164 Ų6484%0.83534%0.337SS*.  trans-129.854.5176.300000110.4D1138D1138-A1140 PolarHBondContact O-N 3.11Å
1141L93Very high91.4Very high56 Ų5663 Ų6329%0.29333%0.328SS..  trans-78.8145.1-178.6-68.6177.9000111.4E1139 A1145 L1146E1139-L1141 HydrophobicContact CG-CB 4.29Å; E1139-L1141 HydrophobicContact CG-CD1 3.8Å; E1139-L1141 HydrophobicContact CG-CG 3.66Å; L1141-A1145 HydrophobicContact CB-CB 4.18Å; L1141-A1145 HydrophobicContact CD2-CB 4.03Å; L1141-L1146 HydrophobicContact CB-CD2 3.83Å; L1141-L1146 HydrophobicContact CB-CG 4.29Å; L1141-L1146 HydrophobicContact CD1-CD2 3.92Å
1142S92Very high91.3Very high71 Ų7162.2 Ų62.250%0.49733%0.325SS..  trans-74.2155.7167.666.50000110.5E1144 A1145 L1146S1142-E1144 PolarHBondContact O-N 2.55Å; S1142-E1144 VanDerWaalsContact O-N 3.14Å; S1142-A1145 WeakPolarHBondContact O-CA 3.24Å; S1142-A1145 WeakPolarHBondContact O-CB 3.45Å; S1142-A1145 PolarHBondContact O-N 2.86Å; S1142-A1145 PolarHBondContact OG-N 3.39Å; S1142-L1146 PolarHBondContact O-N 3.34Å
1143V87.9Confident91.1Very high47 Ų4762.5 Ų62.529%0.28533%0.328SS..Hα-helixtrans-51.8-38.1173.6177.40000111.8A1145 L1146 H1147V1143-A1145 VanDerWaalsContact C-N 3.33Å; V1143-A1145 PolarHBondContact O-N 3.21Å; V1143-L1146 WeakPolarHBondContact O-CB 3.34Å; V1143-L1146 PolarHBondContact O-N 3.37Å; V1143-H1147 VanDerWaalsContact CG1-CE1 3.41Å; V1143-H1147 WeakPolarHBondContact CG1-CE1 3.27Å; V1143-H1147 PolarHBondContact O-N 3.43Å
1144E85.7Confident91.1Very high91 Ų9162.6 Ų62.643%0.42533%0.329SS..Hα-helixtrans-64.1-36.7175.8-171.6-175.3172.800112.6S1142 K1148S1142-E1144 PolarHBondContact O-N 2.55Å; S1142-E1144 VanDerWaalsContact O-N 3.14Å; E1144-K1148 WeakPolarHBondContact O-CG 3.42Å; E1144-K1148 PolarHBondContact O-N 3.39Å; E1144-K1148 WeakPolarHBondContact OE1-CE 3.49Å; E1144-K1148 IonicContact OE1-NZ 3.18Å; E1144-K1148 PolarHBondContact OE1-NZ 3.43Å
1145A88.9Confident91.2Very high17 Ų1763.6 Ų63.614%0.1433%0.329CS..Hα-helixtrans-71.3-34.4175.700000111.7L1141 S1142 V1143 K1148 I1149 R1150L1141-A1145 HydrophobicContact CB-CB 4.18Å; L1141-A1145 HydrophobicContact CD2-CB 4.03Å; S1142-A1145 WeakPolarHBondContact O-CA 3.24Å; S1142-A1145 WeakPolarHBondContact O-CB 3.45Å; S1142-A1145 PolarHBondContact O-N 2.86Å; S1142-A1145 PolarHBondContact OG-N 3.39Å; V1143-A1145 VanDerWaalsContact C-N 3.33Å; V1143-A1145 PolarHBondContact O-N 3.21Å; A1145-K1148 CarbonylContact O-C 3.52Å; A1145-K1148 PolarHBondContact O-N 2.97Å; A1145-I1149 PolarHBondContact O-N 3.43Å; A1145-R1150 HydrophobicContact CB-CB 4.24Å; A1145-R1150 WeakPolarHBondContact O-CB 3.45Å; A1145-R1150 PolarHBondContact O-N 3.01Å; A1145-R1150 VanDerWaalsContact O-N 3.07Å
1146L90.3Very high91.2Very high2 Ų262.6 Ų62.61%0.0133%0.326CS..Hα-helixtrans-61.7-50.3172.6-62.1-178.3000111.4Y956 E1122 L1141 S1142 V1143 K1148 I1149 Y1151Y956-L1146 HydrophobicContact CD1-CD1 4.19Å; Y956-L1146 HydrophobicContact CE1-CD1 3.74Å; E1122-L1146 HydrophobicContact CG-CB 4.22Å; E1122-L1146 HydrophobicContact CG-CD1 4.34Å; L1141-L1146 HydrophobicContact CB-CD2 3.83Å; L1141-L1146 HydrophobicContact CB-CG 4.29Å; L1141-L1146 HydrophobicContact CD1-CD2 3.92Å; S1142-L1146 PolarHBondContact O-N 3.34Å; V1143-L1146 WeakPolarHBondContact O-CB 3.34Å; V1143-L1146 PolarHBondContact O-N 3.37Å; L1146-K1148 PolarHBondContact O-N 3.36Å; L1146-K1148 VanDerWaalsContact O-N 3.13Å; L1146-I1149 WeakPolarHBondContact O-CA 3.31Å; L1146-I1149 PolarHBondContact O-N 3.49Å; L1146-Y1151 HydrophobicContact CD2-CD1 3.85Å; L1146-Y1151 WeakPolarHBondContact O-CE1 3.46Å
1147H86.2Confident91.3Very high70 Ų7062.2 Ų62.232%0.32432%0.323SS..Hα-helixtrans-61-24.6176.8-63.3163.8000113.2Y956 V1143 I1149Y956-H1147 PolarHBondContact O-NE2 3.29Å; V1143-H1147 VanDerWaalsContact CG1-CE1 3.41Å; V1143-H1147 WeakPolarHBondContact CG1-CE1 3.27Å; V1143-H1147 PolarHBondContact O-N 3.43Å; H1147-I1149 VanDerWaalsContact C-N 3.31Å
1148K85.1Confident91.4Very high112 Ų11256.6 Ų56.649%0.48730%0.297SS..THydrogen-bonded Turntrans-87.46173.7-70.9175.6-170.6165.50113.9E1144 A1145 L1146 R1150E1144-K1148 WeakPolarHBondContact O-CG 3.42Å; E1144-K1148 PolarHBondContact O-N 3.39Å; E1144-K1148 WeakPolarHBondContact OE1-CE 3.49Å; E1144-K1148 IonicContact OE1-NZ 3.18Å; E1144-K1148 PolarHBondContact OE1-NZ 3.43Å; A1145-K1148 CarbonylContact O-C 3.52Å; A1145-K1148 PolarHBondContact O-N 2.97Å; L1146-K1148 PolarHBondContact O-N 3.36Å; L1146-K1148 VanDerWaalsContact O-N 3.13Å; K1148-R1150 VanDerWaalsContact C-N 3.3Å; K1148-R1150 HydrophobicContact CB-CG 3.97Å; K1148-R1150 PolarHBondContact O-N 3.39Å
1149I89.9Confident91.2Very high82 Ų8250.2 Ų50.242%0.42127%0.271SS..THydrogen-bonded Turntrans56.345.8179-43.8176.8000110.4A1145 L1146 H1147 Y1151 Y1210A1145-I1149 PolarHBondContact O-N 3.43Å; L1146-I1149 WeakPolarHBondContact O-CA 3.31Å; L1146-I1149 PolarHBondContact O-N 3.49Å; H1147-I1149 VanDerWaalsContact C-N 3.31Å; I1149-Y1151 VanDerWaalsContact C-N 3.32Å; I1149-Y1151 HydrophobicContact CG2-CD2 4.38Å; I1149-Y1151 HydrophobicContact CG2-CE1 4.45Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.68Å; I1149-Y1210 HydrophobicContact CD1-CD2 4.45Å; I1149-Y1210 HydrophobicContact CD1-CE2 4.1Å; I1149-Y1210 HydrophobicContact CG2-CE2 4.04Å
1150R89.4Confident91.1Very high187 Ų18753 Ų5371%0.70628%0.28SS*.  trans-89.44.6178.4-65-65-173.8173.4-1.3113.8A1145 K1148A1145-R1150 HydrophobicContact CB-CB 4.24Å; A1145-R1150 WeakPolarHBondContact O-CB 3.45Å; A1145-R1150 PolarHBondContact O-N 3.01Å; A1145-R1150 VanDerWaalsContact O-N 3.07Å; K1148-R1150 VanDerWaalsContact C-N 3.3Å; K1148-R1150 HydrophobicContact CB-CG 3.97Å; K1148-R1150 PolarHBondContact O-N 3.39Å
1151Y93.1Very high91Very high18 Ų1852 Ų527%0.07127%0.266CS..SBendtrans-82.4162.7173.346.2-106.1000112.1E1122 H1125 R1129 E1139 L1146 I1149E1122-Y1151 WeakPolarHBondContact OE1-CE1 3.37Å; H1125-Y1151 AromaticContact CE1-CD2 3.79Å; H1125-Y1151 AromaticContact CE1-CE2 3.44Å; H1125-Y1151 VanDerWaalsContact CE1-CE2 3.44Å; H1125-Y1151 WeakPolarHBondContact CE1-CE2 3.22Å; H1125-Y1151 AromaticContact ND1-CE2 3.76Å; H1125-Y1151 AromaticContact ND1-CZ 3.85Å; R1129-Y1151 VanDerWaalsContact NE-CB 3.31Å; E1139-Y1151 WeakPolarHBondContact OE2-CB 3.35Å; L1146-Y1151 HydrophobicContact CD2-CD1 3.85Å; L1146-Y1151 WeakPolarHBondContact O-CE1 3.46Å; I1149-Y1151 VanDerWaalsContact C-N 3.32Å; I1149-Y1151 HydrophobicContact CG2-CD2 4.38Å; I1149-Y1151 HydrophobicContact CG2-CE1 4.45Å; I1149-Y1151 HydrophobicContact CG2-CE2 3.68Å
1152Q92.6Very high91Very high73 Ų7349.5 Ų49.534%0.34125%0.253SS..SBendtrans-75.1139.1173.2-176.1-178-57.600111.5Y1135 A1204 P1206Y1135-Q1152 HydrophobicContact CD2-CG 4.48Å; Y1135-Q1152 HydrophobicContact CE2-CB 4.2Å; Y1135-Q1152 HydrophobicContact CE2-CG 4.3Å; Y1135-Q1152 WeakPolarHBondContact CE2-O 3.28Å; Y1135-Q1152 PolarHBondContact OH-O 2.87Å; Q1152-A1204 PolarHBondContact NE2-O 3.44Å; Q1152-P1206 HydrophobicContact CG-CB 4.29Å; Q1152-P1206 HydrophobicContact CG-CG 4.38Å
1153G93Very high91.1Very high7 Ų746.5 Ų46.57%0.07223%0.231CC..SBendtrans82.2-177.3177.700000113.2F1203G1153-F1203 WeakPolarHBondContact CA-O 3.44Å
1154I95.4Very high91.2Very high5 Ų544.4 Ų44.43%0.02622%0.218CC..BIsolated β-bridgetrans-138.3160.1-175.459172.5000111.5L1064 F1067 P1156 F1203 A1208 Y1210L1064-I1154 HydrophobicContact CD2-CD1 4.25Å; F1067-I1154 HydrophobicContact CD2-CD1 4.27Å; F1067-I1154 HydrophobicContact CE2-CD1 4.08Å; I1154-P1156 HydrophobicContact CD1-CG 4.24Å; I1154-P1156 HydrophobicContact CG1-CG 4.47Å; I1154-F1203 HydrophobicContact CD1-CD2 4.46Å; I1154-F1203 HydrophobicContact CG1-CB 3.91Å; I1154-F1203 HydrophobicContact CG1-CD2 4.16Å; I1154-F1203 HydrophobicContact CG1-CG 4.35Å; I1154-F1203 PolarHBondContact N-O 3.29Å; I1154-F1203 VanDerWaalsContact N-O 3.13Å; I1154-F1203 PolarHBondContact O-N 2.87Å; I1154-A1208 HydrophobicContact CD1-CB 4.02Å; I1154-A1208 HydrophobicContact CG1-CB 3.81Å; I1154-Y1210 HydrophobicContact CB-CD2 4.3Å; I1154-Y1210 HydrophobicContact CB-CE1 4.29Å; I1154-Y1210 HydrophobicContact CB-CE2 3.85Å; I1154-Y1210 HydrophobicContact CG2-CD2 3.73Å; I1154-Y1210 HydrophobicContact CG2-CE2 3.64Å; I1154-Y1210 HydrophobicContact CG2-CG 4.34Å
1155R95.8Very high91.5Very high30 Ų3040.1 Ų40.111%0.11320%0.198CC..  trans-126.657.5178.462168.9175.7119.4-3.8114.9F1082 E1118 A1121 E1122 H1125 L1201 Y1202 Y1210F1082-R1155 HydrophobicContact CE1-CB 4.38Å; E1118-R1155 IonicContact OE2-NH1 3.97Å; A1121-R1155 VanDerWaalsContact CB-NH1 3.29Å; E1122-R1155 IonicContact OE2-CZ 3.84Å; E1122-R1155 IonicContact OE2-NE 2.78Å; E1122-R1155 IonicContact OE2-NH2 3.35Å; E1122-R1155 PolarHBondContact OE2-NH2 2.78Å; H1125-R1155 WeakPolarHBondContact ND1-CD 3.43Å; R1155-L1201 CarbonylContact C-O 3.55Å; R1155-L1201 VanDerWaalsContact C-O 3.31Å; R1155-L1201 WeakPolarHBondContact CA-O 3.33Å; R1155-Y1202 HydrophobicContact CB-CD1 3.71Å; R1155-Y1202 HydrophobicContact CB-CE1 3.81Å; R1155-Y1210 WeakPolarHBondContact CG-OH 3.43Å; R1155-Y1210 PolarHBondContact N-OH 2.95Å
1156P95.6Very high91.6Very high2 Ų239.9 Ų39.91%0.01319%0.194CC..  trans-67.4147-174.231.3-37000112.6L1064 I1154 C1162 G1200 L1201 F1203 Y1210L1064-P1156 HydrophobicContact CD1-CG 4.35Å; L1064-P1156 HydrophobicContact CD2-CG 4.06Å; I1154-P1156 HydrophobicContact CD1-CG 4.24Å; I1154-P1156 HydrophobicContact CG1-CG 4.47Å; P1156-C1162 WeakPolarHBondContact CB-SG 3.48Å; P1156-G1200 WeakPolarHBondContact O-CA 3.44Å; P1156-L1201 PolarHBondContact O-N 3.32Å; P1156-F1203 HydrophobicContact CG-CD2 3.8Å; P1156-F1203 HydrophobicContact CG-CE2 3.59Å; P1156-Y1210 HydrophobicContact CB-CE1 4.12Å
1157A94.8Very high91.8Very high11 Ų1140.3 Ų40.39%0.09120%0.197CC..  trans-113.8150.6177.300000111.8G1159 Y1160 C1199A1157-G1159 PolarHBondContact O-N 3.47Å; A1157-Y1160 HydrophobicContact CB-CD1 3.85Å; A1157-Y1160 HydrophobicContact CB-CE1 3.76Å; A1157-Y1160 HydrophobicContact CB-CG 4.38Å; A1157-Y1160 VanDerWaalsContact O-CB 3.24Å; A1157-Y1160 WeakPolarHBondContact O-CB 3.46Å; A1157-Y1160 PolarHBondContact O-N 3.23Å; A1157-C1199 WeakPolarHBondContact CB-O 3.39Å
1158P93.7Very high92.2Very high7 Ų737 Ų375%0.04518%0.182CC..THydrogen-bonded Turntrans-53.1132.5166.3-25.735.9000111.5D1165 E1168 M1169 I1172P1158-D1165 WeakPolarHBondContact CB-O 3.31Å; P1158-E1168 HydrophobicContact CB-CB 4.19Å; P1158-E1168 HydrophobicContact CG-CB 3.96Å; P1158-M1169 HydrophobicContact CB-CE 4.14Å; P1158-M1169 HydrophobicContact CB-CG 3.73Å; P1158-M1169 HydrophobicContact CG-CG 3.79Å; P1158-I1172 HydrophobicContact CG-CD1 4Å
1159G88.4Confident92.7Very high32 Ų3232.2 Ų32.233%0.3316%0.161SC..THydrogen-bonded Turntrans96.8-11.6-171.500000114.8A1157 Q1163A1157-G1159 PolarHBondContact O-N 3.47Å; G1159-Q1163 CarbonylContact C-O 3.48Å; G1159-Q1163 WeakPolarHBondContact CA-O 3.28Å; G1159-Q1163 PolarHBondContact N-O 3.14Å
1160Y90.1Very high93Very high92 Ų9231.5 Ų31.536%0.36116%0.16SC..BIsolated β-bridgetrans-72.4161.6175.6-8329.3000111.8A1157 C1162 Q1163 P1164 Y1210A1157-Y1160 HydrophobicContact CB-CD1 3.85Å; A1157-Y1160 HydrophobicContact CB-CE1 3.76Å; A1157-Y1160 HydrophobicContact CB-CG 4.38Å; A1157-Y1160 VanDerWaalsContact O-CB 3.24Å; A1157-Y1160 WeakPolarHBondContact O-CB 3.46Å; A1157-Y1160 PolarHBondContact O-N 3.23Å; Y1160-C1162 PolarHBondContact O-N 2.94Å; Y1160-C1162 VanDerWaalsContact O-N 3.11Å; Y1160-Q1163 PolarHBondContact N-O 3.09Å; Y1160-Q1163 CarbonylContact O-C 3.5Å; Y1160-Q1163 PolarHBondContact O-N 3.4Å; Y1160-P1164 WeakPolarHBondContact O-CA 3.4Å; Y1160-P1164 VanDerWaalsContact O-N 3.08Å; Y1160-Y1210 HydrophobicContact CD2-CE1 4.23Å; Y1160-Y1210 HydrophobicContact CE2-CE1 4.29Å
1161P90.3Very high93.3Very high81 Ų8123.5 Ų23.553%0.52613%0.133SC..THydrogen-bonded Turntrans-55.9-28.8176.1-27.635.9000115.2F1211 V1213P1161-F1211 CarbonylContact C-O 3.54Å; P1161-V1213 WeakPolarHBondContact O-CG2 3.34Å; P1161-V1213 PolarHBondContact O-N 3.16Å
1162C93.4Very high93.6Very high3 Ų322.7 Ų22.72%0.0213%0.129CC..THydrogen-bonded Turntrans-82.7-19.2175.6540000113.9L1064 P1156 Y1160 F1211L1064-C1162 HydrophobicContact CD2-CB 4.31Å; L1064-C1162 HydrophobicContact CG-CB 4.45Å; P1156-C1162 WeakPolarHBondContact CB-SG 3.48Å; Y1160-C1162 PolarHBondContact O-N 2.94Å; Y1160-C1162 VanDerWaalsContact O-N 3.11Å; C1162-F1211 WeakPolarHBondContact CA-O 3.24Å; C1162-F1211 HydrophobicContact CB-CD1 4.2Å; C1162-F1211 HydrophobicContact CB-CE1 4.01Å; C1162-F1211 HydrophobicContact CB-CE2 4.33Å; C1162-F1211 HydrophobicContact CB-CG 4.44Å; C1162-F1211 HydrophobicContact CB-CZ 4.06Å; C1162-F1211 VanDerWaalsContact CB-O 3.27Å; C1162-F1211 WeakPolarHBondContact CB-O 3.48Å; C1162-F1211 PolarHBondContact N-O 2.96Å
1163Q93.4Very high93.8Very high8 Ų820.5 Ų20.54%0.03712%0.118CC..BIsolated β-bridgetrans-144.278.2175.1-178.956.7-59.700110.1H1046 L1064 G1159 Y1160 D1165 E1168H1046-Q1163 PolarHBondContact O-NE2 2.83Å; L1064-Q1163 HydrophobicContact CD1-CB 3.87Å; G1159-Q1163 CarbonylContact C-O 3.48Å; G1159-Q1163 WeakPolarHBondContact CA-O 3.28Å; G1159-Q1163 PolarHBondContact N-O 3.14Å; Y1160-Q1163 PolarHBondContact N-O 3.09Å; Y1160-Q1163 CarbonylContact O-C 3.5Å; Y1160-Q1163 PolarHBondContact O-N 3.4Å; Q1163-D1165 PolarHBondContact O-N 3.49Å; Q1163-E1168 HydrophobicContact CG-CG 4.45Å
1164P90.5Very high94Very high3 Ų324.9 Ų24.92%0.01915%0.148CC..  trans-71.9-15.2-17328.7-36.1000113.7L1048 Y1160 L1166 V1262L1048-P1164 HydrophobicContact CD1-CG 3.58Å; Y1160-P1164 WeakPolarHBondContact O-CA 3.4Å; Y1160-P1164 VanDerWaalsContact O-N 3.08Å; P1164-L1166 PolarHBondContact O-N 2.87Å; P1164-V1262 HydrophobicContact CB-CG1 4.05Å; P1164-V1262 HydrophobicContact CG-CG1 4.01Å; P1164-V1262 HydrophobicContact CG-CG2 4.22Å
1165D92.4Very high94Very high0 Ų025.9 Ų25.90%015%0.153CC..  trans-74.3104.9176.9-176.22.4000111.5P1158 Q1163 T1167 E1168 Y1244 K1248 W1250 L1259P1158-D1165 WeakPolarHBondContact CB-O 3.31Å; Q1163-D1165 PolarHBondContact O-N 3.49Å; D1165-T1167 PolarHBondContact O-N 3.15Å; D1165-T1167 VanDerWaalsContact OD1-CB 3.3Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.4Å; D1165-T1167 WeakPolarHBondContact OD1-CG2 3.3Å; D1165-T1167 PolarHBondContact OD1-N 2.82Å; D1165-T1167 PolarHBondContact OD1-OG1 3.29Å; D1165-T1167 PolarHBondContact OD2-OG1 3.02Å; D1165-E1168 HydrophobicContact CB-CG 4.24Å; D1165-Y1244 WeakPolarHBondContact CB-OH 3.2Å; D1165-Y1244 PolarHBondContact OD2-OH 2.98Å; D1165-K1248 WeakPolarHBondContact OD2-CE 3.46Å; D1165-K1248 IonicContact OD2-NZ 2.88Å; D1165-K1248 PolarHBondContact OD2-NZ 3.18Å; D1165-K1248 VanDerWaalsContact OD2-NZ 3.17Å; D1165-W1250 WeakPolarHBondContact OD1-CH2 3.34Å; D1165-W1250 WeakPolarHBondContact OD2-CH2 3.44Å; D1165-L1259 HydrophobicContact CB-CD2 4.03Å
1166L91Very high94.1Very high13 Ų1324.4 Ų24.47%0.06815%0.147CC..G310 helixtrans-63.6-25.2175.2-76.6167.5000113.6I818 P820 P1164 E1168 M1169 M1190 W1258I818-L1166 HydrophobicContact CB-CD1 4.38Å; P820-L1166 HydrophobicContact CG-CD1 4.21Å; P1164-L1166 PolarHBondContact O-N 2.87Å; L1166-E1168 PolarHBondContact O-N 3.3Å; L1166-M1169 HydrophobicContact CD2-CE 3.79Å; L1166-M1169 WeakPolarHBondContact O-CB 3.24Å; L1166-M1169 VanDerWaalsContact O-CG 3.28Å; L1166-M1169 WeakPolarHBondContact O-CG 3.33Å; L1166-M1169 PolarHBondContact O-N 3.12Å; L1166-M1169 VanDerWaalsContact O-N 3.17Å; L1166-M1190 HydrophobicContact CB-CB 4.2Å; L1166-M1190 HydrophobicContact CB-CG 4.43Å; L1166-W1258 HydrophobicContact CB-CE3 4.27Å; L1166-W1258 HydrophobicContact CB-CZ3 4.25Å
1167T93.7Very high94.2Very high10 Ų1027.7 Ų27.76%0.06117%0.165CC..G310 helixtrans-70.8-14.6-174.472.20000113.3D1165 M1169 T1170 K1248 W1250 W1258D1165-T1167 PolarHBondContact O-N 3.15Å; D1165-T1167 VanDerWaalsContact OD1-CB 3.3Å; D1165-T1167 WeakPolarHBondContact OD1-CB 3.4Å; D1165-T1167 WeakPolarHBondContact OD1-CG2 3.3Å; D1165-T1167 PolarHBondContact OD1-N 2.82Å; D1165-T1167 PolarHBondContact OD1-OG1 3.29Å; D1165-T1167 PolarHBondContact OD2-OG1 3.02Å; T1167-M1169 PolarHBondContact O-N 3.41Å; T1167-M1169 VanDerWaalsContact O-N 3.12Å; T1167-T1170 WeakPolarHBondContact O-CB 3.44Å; T1167-T1170 WeakPolarHBondContact O-CG2 3.19Å; T1167-T1170 PolarHBondContact O-N 2.87Å; T1167-T1170 PolarHBondContact O-OG1 2.85Å; T1167-K1248 WeakPolarHBondContact OG1-CE 3.35Å; T1167-K1248 PolarHBondContact OG1-NZ 3.31Å; T1167-W1250 HydrophobicContact CG2-CH2 4.03Å; T1167-W1250 HydrophobicContact CG2-CZ2 3.62Å; T1167-W1250 WeakPolarHBondContact OG1-CZ2 3.45Å; T1167-W1258 HydrophobicContact CG2-CD2 3.44Å; T1167-W1258 VanDerWaalsContact CG2-CD2 3.44Å; T1167-W1258 VanDerWaalsContact CG2-CE2 3.45Å; T1167-W1258 HydrophobicContact CG2-CE3 3.83Å; T1167-W1258 HydrophobicContact CG2-CG 3.74Å; T1167-W1258 HydrophobicContact CG2-CH2 4.25Å; T1167-W1258 HydrophobicContact CG2-CZ2 3.9Å; T1167-W1258 HydrophobicContact CG2-CZ3 4.2Å
1168E95.2Very high94.3Very high2 Ų227.2 Ų27.21%0.00916%0.161CC..G310 helixtrans-61.1-17.1172.4-66.6-67.5115.200112.3L1045 H1046 P1158 Q1163 D1165 L1166 T1170 T1171 I1172 K1248L1045-E1168 VanDerWaalsContact CA-OE2 3.25Å; L1045-E1168 WeakPolarHBondContact CA-OE2 3.37Å; H1046-E1168 IonicContact CD2-OE1 3.19Å; H1046-E1168 PolarHBondContact N-OE2 3Å; P1158-E1168 HydrophobicContact CB-CB 4.19Å; P1158-E1168 HydrophobicContact CG-CB 3.96Å; Q1163-E1168 HydrophobicContact CG-CG 4.45Å; D1165-E1168 HydrophobicContact CB-CG 4.24Å; L1166-E1168 PolarHBondContact O-N 3.3Å; E1168-T1170 PolarHBondContact O-N 2.79Å; E1168-T1171 WeakPolarHBondContact O-CB 3.48Å; E1168-T1171 PolarHBondContact O-N 2.96Å; E1168-I1172 PolarHBondContact O-N 2.8Å; E1168-K1248 IonicContact OE1-NZ 3.91Å; E1168-K1248 PolarHBondContact OE1-NZ 3.35Å
1169M95.9Very high94.4Very high11 Ų1132.9 Ų32.95%0.05419%0.187CC..Hα-helixtrans-55.8-36.2166.5-67.4-177.2-176.800111.9P1158 L1166 T1167 T1171 I1172 W1173 L1186 M1190P1158-M1169 HydrophobicContact CB-CE 4.14Å; P1158-M1169 HydrophobicContact CB-CG 3.73Å; P1158-M1169 HydrophobicContact CG-CG 3.79Å; L1166-M1169 HydrophobicContact CD2-CE 3.79Å; L1166-M1169 WeakPolarHBondContact O-CB 3.24Å; L1166-M1169 VanDerWaalsContact O-CG 3.28Å; L1166-M1169 WeakPolarHBondContact O-CG 3.33Å; L1166-M1169 PolarHBondContact O-N 3.12Å; L1166-M1169 VanDerWaalsContact O-N 3.17Å; T1167-M1169 PolarHBondContact O-N 3.41Å; T1167-M1169 VanDerWaalsContact O-N 3.12Å; M1169-T1171 VanDerWaalsContact C-N 3.25Å; M1169-T1171 PolarHBondContact O-N 3.15Å; M1169-I1172 WeakPolarHBondContact O-CB 3.46Å; M1169-I1172 PolarHBondContact O-N 2.72Å; M1169-I1172 VanDerWaalsContact O-N 3.09Å; M1169-W1173 HydrophobicContact CB-CE3 4.1Å; M1169-W1173 HydrophobicContact CB-CZ3 4Å; M1169-W1173 HydrophobicContact CG-CZ3 4.32Å; M1169-W1173 PolarHBondContact O-N 2.98Å; M1169-L1186 HydrophobicContact CB-CD1 4.11Å; M1169-L1186 HydrophobicContact SD-CD2 4.14Å; M1169-M1190 HydrophobicContact SD-CB 4.35Å
1170T95.6Very high94.8Very high66 Ų6638.7 Ų38.741%0.40520%0.203SC..Hα-helixtrans-61.2-35.2179.661.40000112.6T1167 E1168 W1173 S1174 M1190T1167-T1170 WeakPolarHBondContact O-CB 3.44Å; T1167-T1170 WeakPolarHBondContact O-CG2 3.19Å; T1167-T1170 PolarHBondContact O-N 2.87Å; T1167-T1170 PolarHBondContact O-OG1 2.85Å; E1168-T1170 PolarHBondContact O-N 2.79Å; T1170-W1173 PolarHBondContact O-N 3.47Å; T1170-S1174 WeakPolarHBondContact O-CB 3.45Å; T1170-S1174 PolarHBondContact O-N 3.04Å; T1170-M1190 HydrophobicContact CG2-CE 4.01Å; T1170-M1190 HydrophobicContact CG2-SD 3.74Å
1171T96.5Very high95.2Very high20 Ų2035.9 Ų35.912%0.12319%0.194CC..Hα-helixtrans-66-44.3174.4-52.80000111.1A1043 L1045 E1168 M1169 S1174 L1175A1043-T1171 HydrophobicContact CB-CG2 3.87Å; L1045-T1171 HydrophobicContact CD2-CG2 3.75Å; L1045-T1171 HydrophobicContact CG-CG2 4.38Å; E1168-T1171 WeakPolarHBondContact O-CB 3.48Å; E1168-T1171 PolarHBondContact O-N 2.96Å; M1169-T1171 VanDerWaalsContact C-N 3.25Å; M1169-T1171 PolarHBondContact O-N 3.15Å; T1171-S1174 PolarHBondContact O-N 3.24Å; T1171-L1175 HydrophobicContact CG2-CD1 4.12Å; T1171-L1175 WeakPolarHBondContact O-CG 3.35Å; T1171-L1175 PolarHBondContact O-N 3.5Å
1172I97.6Very high95.4Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-61.8-44.9175.5-61.5173.2000110.6M1081 P1158 E1168 M1169 S1174 L1175 L1176 L1201M1081-I1172 HydrophobicContact CB-CG2 4.47Å; M1081-I1172 HydrophobicContact SD-CG1 4.21Å; P1158-I1172 HydrophobicContact CG-CD1 4Å; E1168-I1172 PolarHBondContact O-N 2.8Å; M1169-I1172 WeakPolarHBondContact O-CB 3.46Å; M1169-I1172 PolarHBondContact O-N 2.72Å; M1169-I1172 VanDerWaalsContact O-N 3.09Å; I1172-S1174 VanDerWaalsContact C-N 3.35Å; I1172-S1174 PolarHBondContact O-N 3.03Å; I1172-L1175 PolarHBondContact O-N 3.38Å; I1172-L1176 HydrophobicContact CG2-CD1 3.86Å; I1172-L1176 HydrophobicContact CG2-CG 4.39Å; I1172-L1176 WeakPolarHBondContact O-CB 3.32Å; I1172-L1176 PolarHBondContact O-N 3.43Å; I1172-L1201 HydrophobicContact CD1-CD2 3.98Å; I1172-L1201 HydrophobicContact CG1-CD2 4.13Å
1173W97.7Very high95.5Very high27 Ų2733.5 Ų33.510%0.10219%0.185CC..Hα-helixtrans-61.1-43.1179.3-101.2-112.2000112.3M1169 T1170 D1177 V1178 I1184 L1186 M1192 C1199M1169-W1173 HydrophobicContact CB-CE3 4.1Å; M1169-W1173 HydrophobicContact CB-CZ3 4Å; M1169-W1173 HydrophobicContact CG-CZ3 4.32Å; M1169-W1173 PolarHBondContact O-N 2.98Å; T1170-W1173 PolarHBondContact O-N 3.47Å; W1173-D1177 WeakPolarHBondContact O-CA 3.42Å; W1173-D1177 PolarHBondContact O-N 2.84Å; W1173-V1178 HydrophobicContact CD2-CB 3.89Å; W1173-V1178 HydrophobicContact CD2-CG1 4.1Å; W1173-V1178 HydrophobicContact CD2-CG2 3.98Å; W1173-V1178 HydrophobicContact CE3-CG2 4.19Å; W1173-V1178 HydrophobicContact CG-CB 3.9Å; W1173-V1178 HydrophobicContact CG-CG2 4.15Å; W1173-V1178 HydrophobicContact CH2-CG1 4.42Å; W1173-V1178 HydrophobicContact CZ2-CG1 3.82Å; W1173-V1178 PolarHBondContact O-N 2.81Å; W1173-I1184 HydrophobicContact CZ2-CB 4.24Å; W1173-I1184 HydrophobicContact CZ2-CG2 3.81Å; W1173-I1184 PolarHBondContact NE1-O 3.3Å; W1173-L1186 HydrophobicContact CB-CD1 4.49Å; W1173-L1186 HydrophobicContact CD2-CD1 3.6Å; W1173-L1186 HydrophobicContact CD2-CD2 4.44Å; W1173-L1186 HydrophobicContact CD2-CG 3.94Å; W1173-L1186 HydrophobicContact CE3-CD1 4.03Å; W1173-L1186 HydrophobicContact CG-CD1 3.82Å; W1173-L1186 HydrophobicContact CG-CG 4.33Å; W1173-L1186 HydrophobicContact CH2-CD2 3.81Å; W1173-L1186 HydrophobicContact CH2-CG 4.31Å; W1173-L1186 HydrophobicContact CZ2-CD1 4.27Å; W1173-L1186 HydrophobicContact CZ2-CD2 3.58Å; W1173-L1186 HydrophobicContact CZ2-CG 3.72Å; W1173-L1186 HydrophobicContact CZ3-CD1 4.49Å; W1173-L1186 HydrophobicContact CZ3-CD2 4.34Å; W1173-M1192 HydrophobicContact CH2-CG 3.73Å; W1173-M1192 HydrophobicContact CH2-SD 3.72Å; W1173-M1192 HydrophobicContact CZ2-CG 4.07Å; W1173-M1192 HydrophobicContact CZ2-SD 4.47Å; W1173-C1199 HydrophobicContact CH2-CB 4.23Å; W1173-C1199 HydrophobicContact CZ3-CB 4.03Å
1174S96.4Very high95.6Very high100 Ų10033.1 Ų33.170%0.69918%0.183SC*.Hα-helixtrans-67.3-41.4178.9-173.70000112.5T1170 T1171 I1172T1170-S1174 WeakPolarHBondContact O-CB 3.45Å; T1170-S1174 PolarHBondContact O-N 3.04Å; T1171-S1174 PolarHBondContact O-N 3.24Å; I1172-S1174 VanDerWaalsContact C-N 3.35Å; I1172-S1174 PolarHBondContact O-N 3.03Å
1175L96.7Very high95.8Very high25 Ų2534.7 Ų34.713%0.13119%0.194CC..Hα-helixtrans-76-35.8-176.8-73.7173000112.9I942 F1019 V1030 V1042 A1043 M1081 T1171 I1172I942-L1175 VanDerWaalsContact CD1-O 3.25Å; I942-L1175 WeakPolarHBondContact CD1-O 3.37Å; F1019-L1175 HydrophobicContact CE2-CB 4.39Å; F1019-L1175 HydrophobicContact CZ-CB 4.39Å; V1030-L1175 HydrophobicContact CG1-CD1 4.16Å; V1042-L1175 HydrophobicContact CG2-CD2 3.9Å; A1043-L1175 HydrophobicContact CB-CD1 3.79Å; A1043-L1175 HydrophobicContact CB-CD2 3.88Å; A1043-L1175 HydrophobicContact CB-CG 4.02Å; M1081-L1175 HydrophobicContact CE-CD1 3.4Å; M1081-L1175 HydrophobicContact SD-CB 4.31Å; M1081-L1175 HydrophobicContact SD-CD1 3.61Å; T1171-L1175 HydrophobicContact CG2-CD1 4.12Å; T1171-L1175 WeakPolarHBondContact O-CG 3.35Å; T1171-L1175 PolarHBondContact O-N 3.5Å; I1172-L1175 PolarHBondContact O-N 3.38Å
1176L97.6Very high95.9Very high0 Ų037 Ų370%021%0.206CC..Hα-helixtrans-96.3-6.4-177.8-60.6-175.1000113.8I942 V1015 F1019 M1081 I1172 V1178 N1181I942-L1176 HydrophobicContact CG1-CD2 4.33Å; V1015-L1176 HydrophobicContact CG1-CB 4.13Å; V1015-L1176 HydrophobicContact CG1-CD1 4.14Å; V1015-L1176 HydrophobicContact CG2-CB 4.06Å; F1019-L1176 HydrophobicContact CE2-CD2 3.87Å; F1019-L1176 HydrophobicContact CZ-CD2 4.18Å; M1081-L1176 HydrophobicContact CB-CD1 3.84Å; M1081-L1176 HydrophobicContact CB-CD2 4.33Å; M1081-L1176 HydrophobicContact CB-CG 4.25Å; I1172-L1176 HydrophobicContact CG2-CD1 3.86Å; I1172-L1176 HydrophobicContact CG2-CG 4.39Å; I1172-L1176 WeakPolarHBondContact O-CB 3.32Å; I1172-L1176 PolarHBondContact O-N 3.43Å; L1176-V1178 VanDerWaalsContact C-N 3.27Å; L1176-V1178 HydrophobicContact CB-CG2 3.67Å; L1176-V1178 HydrophobicContact CD1-CG2 4.39Å; L1176-V1178 PolarHBondContact O-N 3.03Å; L1176-N1181 PolarHBondContact O-ND2 3.16Å
1177D96.7Very high95.7Very high71 Ų7137.3 Ų37.338%0.3821%0.209SC..THydrogen-bonded Turntrans48.551-171.9-165.93.4000110.9W1173 E1179 K1180 N1181W1173-D1177 WeakPolarHBondContact O-CA 3.42Å; W1173-D1177 PolarHBondContact O-N 2.84Å; D1177-E1179 VanDerWaalsContact C-N 3.34Å; D1177-E1179 PolarHBondContact O-N 3.14Å; D1177-K1180 PolarHBondContact O-N 2.96Å; D1177-K1180 WeakPolarHBondContact OD1-CB 3.27Å; D1177-K1180 WeakPolarHBondContact OD2-CD 3.31Å; D1177-K1180 IonicContact OD2-NZ 3.24Å; D1177-N1181 WeakPolarHBondContact O-CB 3.26Å; D1177-N1181 PolarHBondContact O-N 3.09Å; D1177-N1181 PolarHBondContact O-ND2 3.23Å
1178V97.9Very high95.1Very high0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-59.9-40.1-165.1174.50000112.5V1015 A1083 W1173 L1176 K1180 N1181 A1182 G1183 I1184V1015-V1178 HydrophobicContact CG1-CG2 4.15Å; A1083-V1178 HydrophobicContact CB-CB 4.48Å; A1083-V1178 HydrophobicContact CB-CG1 3.64Å; A1083-V1178 HydrophobicContact CB-CG2 3.94Å; W1173-V1178 HydrophobicContact CD2-CB 3.89Å; W1173-V1178 HydrophobicContact CD2-CG1 4.1Å; W1173-V1178 HydrophobicContact CD2-CG2 3.98Å; W1173-V1178 HydrophobicContact CE3-CG2 4.19Å; W1173-V1178 HydrophobicContact CG-CB 3.9Å; W1173-V1178 HydrophobicContact CG-CG2 4.15Å; W1173-V1178 HydrophobicContact CH2-CG1 4.42Å; W1173-V1178 HydrophobicContact CZ2-CG1 3.82Å; W1173-V1178 PolarHBondContact O-N 2.81Å; L1176-V1178 VanDerWaalsContact C-N 3.27Å; L1176-V1178 HydrophobicContact CB-CG2 3.67Å; L1176-V1178 HydrophobicContact CD1-CG2 4.39Å; L1176-V1178 PolarHBondContact O-N 3.03Å; V1178-K1180 VanDerWaalsContact C-N 3.32Å; V1178-K1180 PolarHBondContact O-N 2.82Å; V1178-N1181 PolarHBondContact O-N 3.04Å; V1178-A1182 HydrophobicContact CG1-CB 4.3Å; V1178-A1182 WeakPolarHBondContact O-CA 3.28Å; V1178-A1182 PolarHBondContact O-N 3.41Å; V1178-G1183 PolarHBondContact O-N 3.31Å; V1178-I1184 HydrophobicContact CG1-CB 3.89Å; V1178-I1184 HydrophobicContact CG1-CD1 4.23Å; V1178-I1184 HydrophobicContact CG1-CG1 4.42Å
1179E96.5Very high94.5Very high127 Ų12744.5 Ų44.559%0.59324%0.243SC*.Hα-helixtrans-62.4-42.1-179-172175.3174.100111.1D1177 G1183 I1184D1177-E1179 VanDerWaalsContact C-N 3.34Å; D1177-E1179 PolarHBondContact O-N 3.14Å; E1179-G1183 WeakPolarHBondContact O-CA 3.25Å; E1179-G1183 PolarHBondContact O-N 3.42Å; E1179-G1183 VanDerWaalsContact O-N 3.09Å; E1179-I1184 WeakPolarHBondContact CA-O 3.46Å
1180K96.1Very high94.2Very high154 Ų15445.5 Ų45.567%0.6725%0.247SC*.Hα-helixtrans-73.1-44.3177.1-176.2-167.1178.5-173.20112.4D1177 V1178D1177-K1180 PolarHBondContact O-N 2.96Å; D1177-K1180 WeakPolarHBondContact OD1-CB 3.27Å; D1177-K1180 WeakPolarHBondContact OD2-CD 3.31Å; D1177-K1180 IonicContact OD2-NZ 3.24Å; V1178-K1180 VanDerWaalsContact C-N 3.32Å; V1178-K1180 PolarHBondContact O-N 2.82Å
1181N97.2Very high93.9Very high32 Ų3242.4 Ų42.417%0.17123%0.229CC..Hα-helixtrans-85-32.4-169.3-71.6-28.9000113.7C944 V1015 L1176 D1177 V1178C944-N1181 VanDerWaalsContact SG-CG 3.57Å; V1015-N1181 HydrophobicContact CB-CB 4.12Å; V1015-N1181 HydrophobicContact CG2-CB 4.07Å; L1176-N1181 PolarHBondContact O-ND2 3.16Å; D1177-N1181 WeakPolarHBondContact O-CB 3.26Å; D1177-N1181 PolarHBondContact O-N 3.09Å; D1177-N1181 PolarHBondContact O-ND2 3.23Å; V1178-N1181 PolarHBondContact O-N 3.04Å
1182A95.7Very high93.8Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-118-12.5-179.500000113.7V1015 V1178 I1184V1015-A1182 HydrophobicContact CG1-CB 4.06Å; V1178-A1182 HydrophobicContact CG1-CB 4.3Å; V1178-A1182 WeakPolarHBondContact O-CA 3.28Å; V1178-A1182 PolarHBondContact O-N 3.41Å; A1182-I1184 HydrophobicContact CB-CD1 3.84Å; A1182-I1184 HydrophobicContact CB-CG1 4Å
1183G94.3Very high93.3Very high35 Ų3548.1 Ų48.136%0.36125%0.251SS..  trans76.125.3-178.500000113.8V1178 E1179V1178-G1183 PolarHBondContact O-N 3.31Å; E1179-G1183 WeakPolarHBondContact O-CA 3.25Å; E1179-G1183 PolarHBondContact O-N 3.42Å; E1179-G1183 VanDerWaalsContact O-N 3.09Å
1184I97Very high93Very high0 Ų047.4 Ų47.40%025%0.249CC..  trans-109.5119.6-177.1-45.9165.8000109.4A1083 T1085 W1173 V1178 E1179 A1182 M1192 Y1193A1083-I1184 HydrophobicContact CB-CD1 4.16Å; T1085-I1184 HydrophobicContact CG2-CD1 4.11Å; T1085-I1184 HydrophobicContact CG2-CG1 3.87Å; W1173-I1184 HydrophobicContact CZ2-CB 4.24Å; W1173-I1184 HydrophobicContact CZ2-CG2 3.81Å; W1173-I1184 PolarHBondContact NE1-O 3.3Å; V1178-I1184 HydrophobicContact CG1-CB 3.89Å; V1178-I1184 HydrophobicContact CG1-CD1 4.23Å; V1178-I1184 HydrophobicContact CG1-CG1 4.42Å; E1179-I1184 WeakPolarHBondContact CA-O 3.46Å; A1182-I1184 HydrophobicContact CB-CD1 3.84Å; A1182-I1184 HydrophobicContact CB-CG1 4Å; I1184-M1192 HydrophobicContact CG2-CB 3.96Å; I1184-M1192 HydrophobicContact CG2-CG 4.29Å; I1184-Y1193 CarbonylContact C-O 3.3Å; I1184-Y1193 WeakPolarHBondContact CA-O 3.4Å
1185S95Very high92.6Very high36 Ų3644.8 Ų44.825%0.25223%0.229SC..EExtended strand (participates in β ladder)trans-101.3158.9177.859.60000111.4M1192 Y1193S1185-M1192 CarbonylContact O-C 3.56Å; S1185-M1192 WeakPolarHBondContact O-CA 3.4Å; S1185-Y1193 PolarHBondContact N-O 3.11Å; S1185-Y1193 PolarHBondContact O-N 3.24Å; S1185-Y1193 PolarHBondContact OG-O 3.42Å
1186L93.6Very high92.5Very high48 Ų4843.7 Ų43.725%0.25122%0.224SC..EExtended strand (participates in β ladder)trans-111.1139.7174.6-69174.1000111M1169 W1173 M1190 A1191 M1192M1169-L1186 HydrophobicContact CB-CD1 4.11Å; M1169-L1186 HydrophobicContact SD-CD2 4.14Å; W1173-L1186 HydrophobicContact CB-CD1 4.49Å; W1173-L1186 HydrophobicContact CD2-CD1 3.6Å; W1173-L1186 HydrophobicContact CD2-CD2 4.44Å; W1173-L1186 HydrophobicContact CD2-CG 3.94Å; W1173-L1186 HydrophobicContact CE3-CD1 4.03Å; W1173-L1186 HydrophobicContact CG-CD1 3.82Å; W1173-L1186 HydrophobicContact CG-CG 4.33Å; W1173-L1186 HydrophobicContact CH2-CD2 3.81Å; W1173-L1186 HydrophobicContact CH2-CG 4.31Å; W1173-L1186 HydrophobicContact CZ2-CD1 4.27Å; W1173-L1186 HydrophobicContact CZ2-CD2 3.58Å; W1173-L1186 HydrophobicContact CZ2-CG 3.72Å; W1173-L1186 HydrophobicContact CZ3-CD1 4.49Å; W1173-L1186 HydrophobicContact CZ3-CD2 4.34Å; L1186-M1190 HydrophobicContact CD1-SD 4.22Å; L1186-A1191 CarbonylContact C-O 3.55Å; L1186-A1191 WeakPolarHBondContact CA-O 3.28Å; L1186-M1192 HydrophobicContact CD2-CG 3.88Å
1187T87.4Confident92.5Very high20 Ų2044.1 Ų44.112%0.12323%0.227CC..  trans-77.6169.816973.60000111.5G767 V769 M794 S1189 M1190 A1191G767-T1187 PolarHBondContact O-OG1 3.23Å; V769-T1187 HydrophobicContact CG1-CG2 3.96Å; M794-T1187 HydrophobicContact CE-CG2 3.44Å; M794-T1187 VanDerWaalsContact CE-CG2 3.44Å; T1187-S1189 PolarHBondContact O-N 3.41Å; T1187-S1189 PolarHBondContact OG1-N 3.48Å; T1187-S1189 PolarHBondContact OG1-OG 3.17Å; T1187-M1190 PolarHBondContact O-N 2.72Å; T1187-A1191 HydrophobicContact CG2-CB 3.97Å; T1187-A1191 WeakPolarHBondContact CG2-O 3.47Å; T1187-A1191 PolarHBondContact N-O 2.9Å; T1187-A1191 WeakPolarHBondContact OG1-CB 3.31Å; T1187-A1191 PolarHBondContact OG1-N 2.88Å
1188E80.8Confident92.5Very high155 Ų15541.5 Ų41.572%0.72421%0.213SC*.THydrogen-bonded Turntrans-57.6-19.9175.1-60.8-180174.200113.9
1189S81.9Confident92.5Very high8 Ų841.7 Ų41.76%0.05622%0.215CC..THydrogen-bonded Turntrans-106.615.3176.859.10000113.6G767 I818 T1187G767-S1189 WeakPolarHBondContact CA-OG 3.5Å; G767-S1189 PolarHBondContact O-OG 2.91Å; I818-S1189 WeakPolarHBondContact CD1-O 3.23Å; I818-S1189 WeakPolarHBondContact CD1-OG 3.45Å; T1187-S1189 PolarHBondContact O-N 3.41Å; T1187-S1189 PolarHBondContact OG1-N 3.48Å; T1187-S1189 PolarHBondContact OG1-OG 3.17Å
1190M91.1Very high92.5Very high31 Ų3135.7 Ų35.715%0.15319%0.186CC..  trans69.624.2179.1-50-64.5139.300115.3L1166 M1169 T1170 L1186 T1187 W1258L1166-M1190 HydrophobicContact CB-CB 4.2Å; L1166-M1190 HydrophobicContact CB-CG 4.43Å; M1169-M1190 HydrophobicContact SD-CB 4.35Å; T1170-M1190 HydrophobicContact CG2-CE 4.01Å; T1170-M1190 HydrophobicContact CG2-SD 3.74Å; L1186-M1190 HydrophobicContact CD1-SD 4.22Å; T1187-M1190 PolarHBondContact O-N 2.72Å; M1190-W1258 HydrophobicContact CB-CH2 4.49Å; M1190-W1258 HydrophobicContact CB-CZ3 4.37Å; M1190-W1258 HydrophobicContact CE-CH2 4.28Å; M1190-W1258 HydrophobicContact CE-CZ2 4.48Å; M1190-W1258 HydrophobicContact CG-CH2 3.6Å; M1190-W1258 HydrophobicContact CG-CZ3 3.76Å
1191A87.8Confident92.6Very high2 Ų228.8 Ų28.82%0.01716%0.157CC..  trans-79.5140.216900000110.6V769 I818 L1186 T1187V769-A1191 HydrophobicContact CG2-CB 3.81Å; I818-A1191 HydrophobicContact CD1-CB 4.27Å; L1186-A1191 CarbonylContact C-O 3.55Å; L1186-A1191 WeakPolarHBondContact CA-O 3.28Å; T1187-A1191 HydrophobicContact CG2-CB 3.97Å; T1187-A1191 WeakPolarHBondContact CG2-O 3.47Å; T1187-A1191 PolarHBondContact N-O 2.9Å; T1187-A1191 WeakPolarHBondContact OG1-CB 3.31Å; T1187-A1191 PolarHBondContact OG1-N 2.88Å
1192M93.9Very high92.6Very high32 Ų3227.2 Ų27.216%0.15815%0.149CC..EExtended strand (participates in β ladder)trans-82.7140.3178.5-66.8178.1-78.700111.6W1173 I1184 S1185 L1186 S1197 C1199W1173-M1192 HydrophobicContact CH2-CG 3.73Å; W1173-M1192 HydrophobicContact CH2-SD 3.72Å; W1173-M1192 HydrophobicContact CZ2-CG 4.07Å; W1173-M1192 HydrophobicContact CZ2-SD 4.47Å; I1184-M1192 HydrophobicContact CG2-CB 3.96Å; I1184-M1192 HydrophobicContact CG2-CG 4.29Å; S1185-M1192 CarbonylContact O-C 3.56Å; S1185-M1192 WeakPolarHBondContact O-CA 3.4Å; L1186-M1192 HydrophobicContact CD2-CG 3.88Å; M1192-S1197 VanDerWaalsContact CE-O 3.22Å; M1192-S1197 WeakPolarHBondContact CE-O 3.4Å; M1192-C1199 HydrophobicContact SD-CB 4.21Å
1193Y88.3Confident92.7Very high108 Ų10827.2 Ų27.242%0.42415%0.149SC..EExtended strand (participates in β ladder)trans-133.7124.2171.8-174.3-97.4000111.2P1091 I1184 S1185P1091-Y1193 WeakPolarHBondContact CG-OH 3.45Å; I1184-Y1193 CarbonylContact C-O 3.3Å; I1184-Y1193 WeakPolarHBondContact CA-O 3.4Å; S1185-Y1193 PolarHBondContact N-O 3.11Å; S1185-Y1193 PolarHBondContact O-N 3.24Å; S1185-Y1193 PolarHBondContact OG-O 3.42Å
1194P92.2Very high92.6Very high11 Ų1126.2 Ų26.27%0.07114%0.137CC..SBendcis-62.1153.76.7-21.732.5000114.6L1088 A1196 S1197L1088-P1194 HydrophobicContact CD2-CG 3.89Å; P1194-A1196 VanDerWaalsContact C-N 3.29Å; P1194-A1196 PolarHBondContact O-N 3.28Å; P1194-S1197 WeakPolarHBondContact O-CB 3.21Å; P1194-S1197 PolarHBondContact O-OG 3.13Å
1195T88Confident92.4Very high46 Ų4626.5 Ų26.528%0.28214%0.138SC..SBendtrans-64-31.6-174.551.40000113.2V769 S1197V769-T1195 HydrophobicContact CB-CG2 4.07Å; V769-T1195 HydrophobicContact CG2-CG2 3.76Å; T1195-S1197 PolarHBondContact O-N 2.7Å
1196A94.4Very high92.1Very high2 Ų228.8 Ų28.82%0.01715%0.152CC..SBendtrans-82.667.9176.800000111T1085 A1086 A1113 S1117 P1194T1085-A1196 WeakPolarHBondContact CA-O 3.46Å; T1085-A1196 PolarHBondContact OG1-O 3.41Å; A1086-A1196 PolarHBondContact N-O 3.34Å; A1113-A1196 HydrophobicContact CB-CB 3.69Å; S1117-A1196 WeakPolarHBondContact CB-O 3.36Å; P1194-A1196 VanDerWaalsContact C-N 3.29Å; P1194-A1196 PolarHBondContact O-N 3.28Å
1197S96.6Very high92Very high9 Ų931.2 Ų31.26%0.06316%0.162CC..EExtended strand (participates in β ladder)trans-140.3146-177.1-56.30000111.4V1084 T1085 M1192 P1194 T1195V1084-S1197 CarbonylContact O-C 3.48Å; V1084-S1197 VanDerWaalsContact O-CA 3.22Å; V1084-S1197 WeakPolarHBondContact O-CA 3.43Å; V1084-S1197 WeakPolarHBondContact O-CB 3.46Å; T1085-S1197 VanDerWaalsContact CB-OG 3.3Å; T1085-S1197 WeakPolarHBondContact CB-OG 3.38Å; T1085-S1197 PolarHBondContact OG1-OG 3.01Å; M1192-S1197 VanDerWaalsContact CE-O 3.22Å; M1192-S1197 WeakPolarHBondContact CE-O 3.4Å; P1194-S1197 WeakPolarHBondContact O-CB 3.21Å; P1194-S1197 PolarHBondContact O-OG 3.13Å; T1195-S1197 PolarHBondContact O-N 2.7Å
1198V96.6Very high92.3Very high16 Ų1630.7 Ų30.710%0.09716%0.16CC..EExtended strand (participates in β ladder)trans-133.7141.5-179.3-175.60000109.1F1082 A1083 V1084 E1118 A1121F1082-V1198 HydrophobicContact CE2-CG1 4.02Å; F1082-V1198 HydrophobicContact CZ-CG1 4.26Å; A1083-V1198 CarbonylContact C-O 3.4Å; A1083-V1198 WeakPolarHBondContact CA-O 3.41Å; V1084-V1198 HydrophobicContact CG2-CB 4Å; V1084-V1198 PolarHBondContact N-O 3.36Å; V1084-V1198 PolarHBondContact O-N 2.92Å; E1118-V1198 HydrophobicContact CG-CG2 4.24Å; A1121-V1198 HydrophobicContact CB-CB 4.18Å; A1121-V1198 HydrophobicContact CB-CG1 3.99Å
1199C97.8Very high92.9Very high4 Ų426.8 Ų26.83%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-138.5165.9173.972.80000111.2F1082 A1083 A1157 W1173 M1192F1082-C1199 VanDerWaalsContact O-CA 3.24Å; F1082-C1199 WeakPolarHBondContact O-CA 3.18Å; F1082-C1199 WeakPolarHBondContact O-CB 3.49Å; A1083-C1199 HydrophobicContact CB-CB 4.12Å; A1157-C1199 WeakPolarHBondContact CB-O 3.39Å; W1173-C1199 HydrophobicContact CH2-CB 4.23Å; W1173-C1199 HydrophobicContact CZ3-CB 4.03Å; M1192-C1199 HydrophobicContact SD-CB 4.21Å
1200G97.5Very high93.5Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans172.7-170.6174.800000113.8M1081 F1082 P1156M1081-G1200 WeakPolarHBondContact CA-O 3.46Å; F1082-G1200 WeakPolarHBondContact CD1-O 3.28Å; F1082-G1200 PolarHBondContact N-O 3.32Å; F1082-G1200 PolarHBondContact O-N 3.47Å; P1156-G1200 WeakPolarHBondContact O-CA 3.44Å
1201L98.1Very high93.6Very high9 Ų929.9 Ų29.95%0.04716%0.157CC..EExtended strand (participates in β ladder)trans-110158.7177.3-57.2177.4000110L1045 G1080 M1081 R1155 P1156 I1172 F1203L1045-L1201 HydrophobicContact CD1-CD1 3.91Å; L1045-L1201 HydrophobicContact CD1-CD2 3.96Å; L1045-L1201 HydrophobicContact CD2-CD2 4.43Å; G1080-L1201 CarbonylContact O-C 3.48Å; G1080-L1201 VanDerWaalsContact O-CA 3.23Å; G1080-L1201 WeakPolarHBondContact O-CA 3.38Å; M1081-L1201 HydrophobicContact CB-CD2 4.4Å; M1081-L1201 HydrophobicContact CE-CD2 4.28Å; M1081-L1201 HydrophobicContact CG-CD2 3.73Å; M1081-L1201 HydrophobicContact SD-CD2 4.27Å; R1155-L1201 CarbonylContact C-O 3.55Å; R1155-L1201 VanDerWaalsContact C-O 3.31Å; R1155-L1201 WeakPolarHBondContact CA-O 3.33Å; P1156-L1201 PolarHBondContact O-N 3.32Å; I1172-L1201 HydrophobicContact CD1-CD2 3.98Å; I1172-L1201 HydrophobicContact CG1-CD2 4.13Å; L1201-F1203 HydrophobicContact CB-CD2 4.43Å; L1201-F1203 HydrophobicContact CB-CE2 3.82Å; L1201-F1203 HydrophobicContact CD1-CE2 4.13Å; L1201-F1203 HydrophobicContact CD1-CZ 4.3Å
1202Y97.6Very high93.8Very high0 Ų032.9 Ų32.90%018%0.177CC..EExtended strand (participates in β ladder)trans-118.5130.6170.7-61.9-58.5000110.7V1016 G1080 F1082 H1125 V1128 R1155V1016-Y1202 HydrophobicContact CG1-CE2 4.36Å; G1080-Y1202 PolarHBondContact N-O 3.07Å; G1080-Y1202 VanDerWaalsContact N-O 3.11Å; G1080-Y1202 PolarHBondContact O-N 3.46Å; F1082-Y1202 HydrophobicContact CB-CE2 3.76Å; F1082-Y1202 HydrophobicContact CD1-CD1 4.29Å; F1082-Y1202 HydrophobicContact CD1-CD2 4.22Å; F1082-Y1202 AromaticContact CD1-CE1 3.62Å; F1082-Y1202 HydrophobicContact CD1-CE1 3.62Å; F1082-Y1202 AromaticContact CD1-CE2 3.55Å; F1082-Y1202 HydrophobicContact CD1-CE2 3.55Å; F1082-Y1202 AromaticContact CD1-CZ 3.2Å; F1082-Y1202 VanDerWaalsContact CD1-OH 3.32Å; F1082-Y1202 WeakPolarHBondContact CD1-OH 3.29Å; F1082-Y1202 HydrophobicContact CE1-CD1 4.44Å; F1082-Y1202 AromaticContact CE1-CE1 3.75Å; F1082-Y1202 HydrophobicContact CE1-CE1 3.75Å; F1082-Y1202 HydrophobicContact CE1-CE2 4.5Å; F1082-Y1202 AromaticContact CE1-CZ 3.8Å; F1082-Y1202 HydrophobicContact CG-CE1 4.47Å; F1082-Y1202 AromaticContact CG-CE2 3.94Å; F1082-Y1202 HydrophobicContact CG-CE2 3.94Å; F1082-Y1202 AromaticContact CG-CZ 3.68Å; F1082-Y1202 WeakPolarHBondContact CG-OH 3.46Å; H1125-Y1202 HydrophobicContact CB-CE1 3.7Å; H1125-Y1202 AromaticContact CD2-CD1 3.48Å; H1125-Y1202 VanDerWaalsContact CD2-CD1 3.48Å; H1125-Y1202 WeakPolarHBondContact CD2-CD1 3.33Å; H1125-Y1202 AromaticContact CD2-CE1 3.44Å; H1125-Y1202 VanDerWaalsContact CD2-CE1 3.44Å; H1125-Y1202 WeakPolarHBondContact CD2-CE1 3.44Å; H1125-Y1202 AromaticContact CG-CD1 3.99Å; H1125-Y1202 AromaticContact CG-CE1 3.54Å; H1125-Y1202 AromaticContact NE2-CD1 3.84Å; V1128-Y1202 HydrophobicContact CB-CD2 4.49Å; V1128-Y1202 HydrophobicContact CB-CE2 4.34Å; V1128-Y1202 HydrophobicContact CG1-CD2 4.02Å; V1128-Y1202 HydrophobicContact CG1-CE2 4.36Å; V1128-Y1202 HydrophobicContact CG1-CG 4.28Å; V1128-Y1202 HydrophobicContact CG2-CD2 4.18Å; V1128-Y1202 HydrophobicContact CG2-CE2 3.75Å; R1155-Y1202 HydrophobicContact CB-CD1 3.71Å; R1155-Y1202 HydrophobicContact CB-CE1 3.81Å
1203F96.2Very high93.7Very high0 Ų031.4 Ų31.40%017%0.17CC..BIsolated β-bridgetrans-119.6120.1172.8-66.3-97.5000109.5I1028 L1064 F1067 I1068 G1153 I1154 P1156 L1201 A1208I1028-F1203 HydrophobicContact CD1-CE1 3.72Å; I1028-F1203 HydrophobicContact CD1-CZ 3.75Å; L1064-F1203 HydrophobicContact CB-CZ 4.09Å; L1064-F1203 HydrophobicContact CD2-CE2 4.21Å; L1064-F1203 HydrophobicContact CD2-CZ 4.28Å; L1064-F1203 WeakPolarHBondContact O-CE1 3.3Å; F1067-F1203 HydrophobicContact CB-CD1 3.93Å; I1068-F1203 HydrophobicContact CD1-CD1 3.82Å; I1068-F1203 HydrophobicContact CD1-CE1 3.97Å; I1068-F1203 HydrophobicContact CG1-CD1 4.03Å; I1068-F1203 HydrophobicContact CG1-CE1 3.76Å; G1153-F1203 WeakPolarHBondContact CA-O 3.44Å; I1154-F1203 HydrophobicContact CD1-CD2 4.46Å; I1154-F1203 HydrophobicContact CG1-CB 3.91Å; I1154-F1203 HydrophobicContact CG1-CD2 4.16Å; I1154-F1203 HydrophobicContact CG1-CG 4.35Å; I1154-F1203 PolarHBondContact N-O 3.29Å; I1154-F1203 VanDerWaalsContact N-O 3.13Å; I1154-F1203 PolarHBondContact O-N 2.87Å; P1156-F1203 HydrophobicContact CG-CD2 3.8Å; P1156-F1203 HydrophobicContact CG-CE2 3.59Å; L1201-F1203 HydrophobicContact CB-CD2 4.43Å; L1201-F1203 HydrophobicContact CB-CE2 3.82Å; L1201-F1203 HydrophobicContact CD1-CE2 4.13Å; L1201-F1203 HydrophobicContact CD1-CZ 4.3Å; F1203-A1208 HydrophobicContact CB-CB 4.13Å
1204A93.8Very high93.8Very high13 Ų1327.4 Ų27.411%0.10716%0.161CC..  trans-84.9-14.6-177.300000114.2W1133 Y1135 Q1152W1133-A1204 HydrophobicContact CD2-CB 4.23Å; W1133-A1204 HydrophobicContact CE3-CB 4.45Å; W1133-A1204 HydrophobicContact CH2-CB 3.8Å; W1133-A1204 HydrophobicContact CZ2-CB 3.52Å; W1133-A1204 HydrophobicContact CZ3-CB 4.25Å; Y1135-A1204 HydrophobicContact CD1-CB 3.41Å; Y1135-A1204 VanDerWaalsContact CD1-CB 3.41Å; Y1135-A1204 HydrophobicContact CD2-CB 4.24Å; Y1135-A1204 HydrophobicContact CE1-CB 3.53Å; Y1135-A1204 HydrophobicContact CE2-CB 4.34Å; Y1135-A1204 HydrophobicContact CG-CB 3.77Å; Q1152-A1204 PolarHBondContact NE2-O 3.44Å
1205N91.7Very high93.5Very high7 Ų728.2 Ų28.24%0.03716%0.164CC..  trans-59.7126.8-174-173.9-32.1000111.2W929 F1067 Q1207 A1208W929-N1205 WeakPolarHBondContact CH2-ND2 3.47Å; F1067-N1205 HydrophobicContact CB-CB 4.29Å; F1067-N1205 WeakPolarHBondContact O-CB 3.16Å; F1067-N1205 PolarHBondContact O-ND2 3.24Å; F1067-N1205 VanDerWaalsContact O-ND2 3.08Å; N1205-Q1207 PolarHBondContact O-N 2.92Å; N1205-Q1207 VanDerWaalsContact O-N 3.16Å; N1205-Q1207 WeakPolarHBondContact OD1-CB 3.46Å; N1205-Q1207 PolarHBondContact OD1-N 3.15Å; N1205-A1208 HydrophobicContact CB-CB 4.24Å; N1205-A1208 WeakPolarHBondContact O-CB 3.31Å; N1205-A1208 PolarHBondContact O-N 3.43Å
1206P89.9Confident93.6Very high84 Ų8426 Ų2655%0.54515%0.151SC..THydrogen-bonded Turntrans-60.4-23.1179.1-21.730.1000114.9Q1152 A1208Q1152-P1206 HydrophobicContact CG-CB 4.29Å; Q1152-P1206 HydrophobicContact CG-CG 4.38Å; P1206-A1208 VanDerWaalsContact C-N 3.34Å
1207Q91.2Very high93.2Very high99 Ų9928.7 Ų28.746%0.46316%0.164SC..THydrogen-bonded Turntrans-87.8-4.4176.1-62.2-174.1-39.200112.9V927 F1067 N1205 T1209V927-Q1207 VanDerWaalsContact CG2-OE1 3.3Å; F1067-Q1207 WeakPolarHBondContact CE1-O 3.42Å; N1205-Q1207 PolarHBondContact O-N 2.92Å; N1205-Q1207 VanDerWaalsContact O-N 3.16Å; N1205-Q1207 WeakPolarHBondContact OD1-CB 3.46Å; N1205-Q1207 PolarHBondContact OD1-N 3.15Å; Q1207-T1209 PolarHBondContact O-N 3.02Å
1208A93.1Very high92.6Very high8 Ų830.7 Ų30.77%0.06618%0.175CC..  trans-66.1127.2177.900000110.3F1067 I1154 F1203 N1205 P1206F1067-A1208 HydrophobicContact CB-CB 4.16Å; F1067-A1208 HydrophobicContact CD1-CB 4.12Å; F1067-A1208 HydrophobicContact CD2-CB 3.82Å; F1067-A1208 HydrophobicContact CE1-CB 4.5Å; F1067-A1208 HydrophobicContact CE2-CB 4.21Å; F1067-A1208 HydrophobicContact CG-CB 3.77Å; I1154-A1208 HydrophobicContact CD1-CB 4.02Å; I1154-A1208 HydrophobicContact CG1-CB 3.81Å; F1203-A1208 HydrophobicContact CB-CB 4.13Å; N1205-A1208 HydrophobicContact CB-CB 4.24Å; N1205-A1208 WeakPolarHBondContact O-CB 3.31Å; N1205-A1208 PolarHBondContact O-N 3.43Å; P1206-A1208 VanDerWaalsContact C-N 3.34Å
1209T93.1Very high92.1Very high73 Ų7332.6 Ų32.645%0.44818%0.184SC..  trans-137.6149.9-177.651.20000110Q1207Q1207-T1209 PolarHBondContact O-N 3.02Å
1210Y93.8Very high91.7Very high82 Ų8232.4 Ų32.432%0.32218%0.183SC..  trans-71.6132.8169-69.4-79.1000109.6I1149 I1154 R1155 P1156 Y1160I1149-Y1210 HydrophobicContact CD1-CD2 4.45Å; I1149-Y1210 HydrophobicContact CD1-CE2 4.1Å; I1149-Y1210 HydrophobicContact CG2-CE2 4.04Å; I1154-Y1210 HydrophobicContact CB-CD2 4.3Å; I1154-Y1210 HydrophobicContact CB-CE1 4.29Å; I1154-Y1210 HydrophobicContact CB-CE2 3.85Å; I1154-Y1210 HydrophobicContact CG2-CD2 3.73Å; I1154-Y1210 HydrophobicContact CG2-CE2 3.64Å; I1154-Y1210 HydrophobicContact CG2-CG 4.34Å; R1155-Y1210 WeakPolarHBondContact CG-OH 3.43Å; R1155-Y1210 PolarHBondContact N-OH 2.95Å; P1156-Y1210 HydrophobicContact CB-CE1 4.12Å; Y1160-Y1210 HydrophobicContact CD2-CE1 4.23Å; Y1160-Y1210 HydrophobicContact CE2-CE1 4.29Å
1211F94Very high91.1Very high23 Ų2332.4 Ų32.410%0.10118%0.183CC..  trans-139.7170.3176.566.6-86.8000110.3Q1050 L1062 L1064 F1067 P1161 C1162 V1213Q1050-F1211 HydrophobicContact CG-CD2 4.33Å; L1062-F1211 HydrophobicContact CB-CD1 4.13Å; L1062-F1211 HydrophobicContact CB-CD2 3.97Å; L1062-F1211 HydrophobicContact CB-CE1 4.18Å; L1062-F1211 HydrophobicContact CB-CE2 4.03Å; L1062-F1211 HydrophobicContact CB-CG 4.05Å; L1062-F1211 HydrophobicContact CB-CZ 4.15Å; L1062-F1211 HydrophobicContact CD1-CB 3.97Å; L1062-F1211 HydrophobicContact CD1-CD1 4.16Å; L1062-F1211 HydrophobicContact CD1-CG 4.01Å; L1064-F1211 HydrophobicContact CD2-CE1 4.03Å; L1064-F1211 HydrophobicContact CG-CE1 4.28Å; L1064-F1211 HydrophobicContact CG-CZ 4.3Å; F1067-F1211 HydrophobicContact CE2-CD1 4.4Å; F1067-F1211 HydrophobicContact CE2-CE1 4.06Å; F1067-F1211 HydrophobicContact CZ-CD1 4.48Å; F1067-F1211 HydrophobicContact CZ-CE1 4.42Å; P1161-F1211 CarbonylContact C-O 3.54Å; C1162-F1211 WeakPolarHBondContact CA-O 3.24Å; C1162-F1211 HydrophobicContact CB-CD1 4.2Å; C1162-F1211 HydrophobicContact CB-CE1 4.01Å; C1162-F1211 HydrophobicContact CB-CE2 4.33Å; C1162-F1211 HydrophobicContact CB-CG 4.44Å; C1162-F1211 HydrophobicContact CB-CZ 4.06Å; C1162-F1211 VanDerWaalsContact CB-O 3.27Å; C1162-F1211 WeakPolarHBondContact CB-O 3.48Å; C1162-F1211 PolarHBondContact N-O 2.96Å; F1211-V1213 HydrophobicContact CE2-CG2 4.07Å
1212S92.7Very high90.1Very high64 Ų6433.3 Ų33.345%0.44819%0.19SC..  trans-107.3131.1170.3-178.30000109.9Q1050 G1214Q1050-S1212 PolarHBondContact NE2-O 2.85Å; S1212-G1214 PolarHBondContact O-N 3.26Å; S1212-G1214 PolarHBondContact OG-N 3.48Å
1213V92.1Very high88Confident2 Ų236.5 Ų36.51%0.01221%0.209CC..  trans-60.3-30.6172.3170.70000110.8L1048 P1161 F1211 I1216L1048-V1213 HydrophobicContact CB-CG1 3.82Å; L1048-V1213 HydrophobicContact CB-CG2 4.06Å; P1161-V1213 WeakPolarHBondContact O-CG2 3.34Å; P1161-V1213 PolarHBondContact O-N 3.16Å; F1211-V1213 HydrophobicContact CE2-CG2 4.07Å; V1213-I1216 HydrophobicContact CG1-CG2 3.62Å
1214G88.7Confident85.4Confident23 Ų2339 Ų3924%0.23723%0.227CC..  trans70.2-154.1-177.200000112.5S1212 V1262S1212-G1214 PolarHBondContact O-N 3.26Å; S1212-G1214 PolarHBondContact OG-N 3.48Å; G1214-V1262 WeakPolarHBondContact O-CB 3.5Å
1215K87.6Confident82.4Confident29 Ų2942.1 Ų42.113%0.12625%0.252CS..  trans-79.9142.7173-67.2-58.6-167.3172.10110.9Y912 F914 M1052 N1261 V1262 L1263Y912-K1215 HydrophobicContact CD2-CG 4.26Å; Y912-K1215 HydrophobicContact CE2-CG 4.04Å; F914-K1215 HydrophobicContact CE1-CB 3.82Å; F914-K1215 WeakPolarHBondContact CE1-O 3.48Å; F914-K1215 HydrophobicContact CZ-CB 3.98Å; M1052-K1215 HydrophobicContact CG-CB 4.41Å; M1052-K1215 HydrophobicContact SD-CB 4.05Å; K1215-N1261 PolarHBondContact NZ-O 3.23Å; K1215-V1262 CarbonylContact C-O 3.43Å; K1215-V1262 VanDerWaalsContact CA-O 3.3Å; K1215-V1262 WeakPolarHBondContact CA-O 3.45Å; K1215-V1262 WeakPolarHBondContact CD-O 3.5Å; K1215-L1263 PolarHBondContact NZ-O 3.21Å
1216I88.2Confident79.5Confident0 Ų046.4 Ų46.40%028%0.279CS..BIsolated β-bridgetrans-120146.2178.363.4177.9000111L1048 V1213 Q1220 V1221 V1262 L1263 S1264L1048-I1216 HydrophobicContact CD1-CD1 4.47Å; L1048-I1216 HydrophobicContact CD2-CD1 3.87Å; V1213-I1216 HydrophobicContact CG1-CG2 3.62Å; I1216-Q1220 VanDerWaalsContact CG2-NE2 3.26Å; I1216-V1221 HydrophobicContact CD1-CG2 3.48Å; I1216-V1221 VanDerWaalsContact CD1-CG2 3.48Å; I1216-V1221 HydrophobicContact CG1-CG2 3.9Å; I1216-V1262 HydrophobicContact CD1-CG2 4.03Å; I1216-V1262 HydrophobicContact CG1-CG2 4.31Å; I1216-V1262 PolarHBondContact N-O 3.45Å; I1216-L1263 HydrophobicContact CD1-CD2 4.37Å; I1216-L1263 HydrophobicContact CG1-CD2 4.35Å; I1216-S1264 WeakPolarHBondContact O-CB 3.32Å; I1216-S1264 PolarHBondContact O-N 2.94Å; I1216-S1264 PolarHBondContact O-OG 3.49Å
1217D86.7Confident76.7Confident57 Ų5744.5 Ų44.531%0.30527%0.274SS..  trans-89.1167.1-179.3-162.313000111.5F914 D1219 Q1220F914-D1217 HydrophobicContact CB-CB 3.87Å; F914-D1217 HydrophobicContact CD1-CB 4.16Å; F914-D1217 HydrophobicContact CD2-CB 4.1Å; F914-D1217 HydrophobicContact CG-CB 3.77Å; D1217-D1219 VanDerWaalsContact C-N 3.26Å; D1217-D1219 PolarHBondContact O-N 3.49Å; D1217-Q1220 PolarHBondContact O-N 3.48Å
1218N83.6Confident73.7Confident52 Ų5250.3 Ų50.328%0.27829%0.292SS..Hα-helixtrans-61-33.5-175.2-164.37.1000112.4Q1220 V1221 S1222 Y1265N1218-Q1220 PolarHBondContact O-N 3.06Å; N1218-V1221 PolarHBondContact O-N 3.06Å; N1218-S1222 CarbonylContact O-C 3.5Å; N1218-S1222 PolarHBondContact O-N 3.25Å; N1218-S1222 PolarHBondContact OD1-O 3.1Å; N1218-S1222 PolarHBondContact OD1-OG 2.96Å; N1218-Y1265 HydrophobicContact CB-CD1 4.01Å; N1218-Y1265 HydrophobicContact CB-CE1 3.93Å
1219D86.2Confident70.6Confident55 Ų5557.3 Ų57.329%0.29433%0.327SS..Hα-helixtrans-63.3-25-178.972.3-26000114.4P916 L917 Q1051 D1217P916-D1219 WeakPolarHBondContact CA-OD2 3.5Å; L917-D1219 WeakPolarHBondContact CB-OD2 3.45Å; L917-D1219 PolarHBondContact N-OD2 3.09Å; Q1051-D1219 PolarHBondContact NE2-OD1 3.43Å; D1217-D1219 VanDerWaalsContact C-N 3.26Å; D1217-D1219 PolarHBondContact O-N 3.49Å
1220Q90.9Very high67.6Low1 Ų163.4 Ų63.41%0.00534%0.342CS..Hα-helixtrans-81.6-30171.6-179.7165.5-146.100112.9L917 L1048 R1049 I1216 D1217 N1218 Y1244L917-Q1220 HydrophobicContact CD1-CB 4.16Å; L917-Q1220 HydrophobicContact CD1-CG 4.07Å; L917-Q1220 HydrophobicContact CD2-CB 4.28Å; L917-Q1220 HydrophobicContact CD2-CG 4.47Å; L1048-Q1220 HydrophobicContact CD2-CG 4.25Å; R1049-Q1220 PolarHBondContact O-NE2 3.49Å; R1049-Q1220 PolarHBondContact O-OE1 3.46Å; I1216-Q1220 VanDerWaalsContact CG2-NE2 3.26Å; D1217-Q1220 PolarHBondContact O-N 3.48Å; N1218-Q1220 PolarHBondContact O-N 3.06Å; Q1220-Y1244 WeakPolarHBondContact O-CB 3.36Å; Q1220-Y1244 PolarHBondContact O-N 3.39Å
1221V84.9Confident64.7Low0 Ų065.5 Ų65.50%036%0.357CS..Hα-helixtrans-89.6-48.8-176.3-1750000111.8I1216 N1218 I1245 A1255 L1263 Y1265I1216-V1221 HydrophobicContact CD1-CG2 3.48Å; I1216-V1221 VanDerWaalsContact CD1-CG2 3.48Å; I1216-V1221 HydrophobicContact CG1-CG2 3.9Å; N1218-V1221 PolarHBondContact O-N 3.06Å; V1221-I1245 HydrophobicContact CG1-CD1 4.03Å; V1221-I1245 HydrophobicContact CG1-CG1 4.25Å; V1221-I1245 WeakPolarHBondContact O-CB 3.24Å; V1221-I1245 WeakPolarHBondContact O-CD1 3.42Å; V1221-I1245 WeakPolarHBondContact O-CG1 3.39Å; V1221-I1245 PolarHBondContact O-N 3.45Å; V1221-A1255 HydrophobicContact CG1-CB 3.96Å; V1221-L1263 HydrophobicContact CB-CD2 4.46Å; V1221-L1263 HydrophobicContact CG1-CD2 4.2Å; V1221-L1263 HydrophobicContact CG2-CD2 3.62Å; V1221-Y1265 HydrophobicContact CB-CE1 4.49Å; V1221-Y1265 WeakPolarHBondContact CB-OH 3.46Å; V1221-Y1265 WeakPolarHBondContact CG1-OH 3.02Å; V1221-Y1265 HydrophobicContact CG2-CE1 4.34Å
1222S76.1Confident61.6Low27 Ų2771.8 Ų71.819%0.18940%0.397CS..  trans-144.1128.5179.885.40000112.4N1218 S1224 D1243N1218-S1222 CarbonylContact O-C 3.5Å; N1218-S1222 PolarHBondContact O-N 3.25Å; N1218-S1222 PolarHBondContact OD1-O 3.1Å; N1218-S1222 PolarHBondContact OD1-OG 2.96Å; S1222-S1224 VanDerWaalsContact C-N 3.34Å; S1222-S1224 PolarHBondContact O-N 3.44Å; S1222-D1243 WeakPolarHBondContact CA-OD2 3.26Å
1223V53.7Low59.1Low68 Ų6872.4 Ų72.441%0.41241%0.406SS..  trans-71.296.1165.9-1790000106.3A1225 D1243V1223-A1225 PolarHBondContact O-N 3.07Å; V1223-D1243 HydrophobicContact CG2-CB 4.03Å; V1223-D1243 WeakPolarHBondContact CG2-OD2 3.47Å; V1223-D1243 PolarHBondContact N-OD2 2.89Å
1224S40.4Very low56.5Low53 Ų5378 Ų7837%0.37144%0.436SS..  trans-47133.6171.668.90000109.9S1222 V1226 G1227S1222-S1224 VanDerWaalsContact C-N 3.34Å; S1222-S1224 PolarHBondContact O-N 3.44Å; S1224-V1226 PolarHBondContact O-N 2.88Å; S1224-G1227 PolarHBondContact O-N 3.29Å; S1224-G1227 PolarHBondContact OG-N 2.87Å
1225A32.3Very low53.6Low77 Ų7781.1 Ų81.164%0.63647%0.468SS*.THydrogen-bonded Turntrans-56-18.7174.800000112.5V1223 G1227 R1228V1223-A1225 PolarHBondContact O-N 3.07Å; A1225-G1227 VanDerWaalsContact C-N 3.34Å; A1225-R1228 PolarHBondContact O-N 3.44Å
1226V31.2Very low50.9Low98 Ų9887.7 Ų87.759%0.59450%0.497SS*.THydrogen-bonded Turntrans-70.1-28.7175.1-171.80000111.9S1224 R1228 L1229 R1230S1224-V1226 PolarHBondContact O-N 2.88Å; V1226-R1228 VanDerWaalsContact C-N 3.33Å; V1226-L1229 PolarHBondContact O-N 3.39Å; V1226-R1230 PolarHBondContact O-N 3.19Å
1227G30.5Very low48Very low43 Ų4392.4 Ų92.444%0.44353%0.528SS..THydrogen-bonded Turntrans-70.8-23.3171.400000113.9S1224 A1225 L1229S1224-G1227 PolarHBondContact O-N 3.29Å; S1224-G1227 PolarHBondContact OG-N 2.87Å; A1225-G1227 VanDerWaalsContact C-N 3.34Å; G1227-L1229 PolarHBondContact O-N 3.18Å
1228R28Very low45.3Very low222 Ų22297.8 Ų97.884%0.83856%0.555SS**THydrogen-bonded Turntrans-70-15.3172-70.4-171.2-172.6-178.24.3113.2A1225 V1226A1225-R1228 PolarHBondContact O-N 3.44Å; V1226-R1228 VanDerWaalsContact C-N 3.33Å
1229L28.5Very low42.7Very low155 Ų155104.3 Ų104.381%0.81258%0.582SS**THydrogen-bonded Turntrans-115.1-15.4-177.9-87.9159.2000114.5V1226 G1227V1226-L1229 PolarHBondContact O-N 3.39Å; G1227-L1229 PolarHBondContact O-N 3.18Å
1230R30Very low40.3Very low200 Ų200110.6 Ų110.676%0.75561%0.606SS**SBendtrans-106.692.9173.7-80.7-173.7173.1-178.3-0.8110.6V1226V1226-R1230 PolarHBondContact O-N 3.19Å
1231I32.5Very low37.9Very low127 Ų127113 Ų11365%0.65163%0.627SS**  trans143.383.4146.5-67.1154.7000107.9A1233I1231-A1233 HydrophobicContact CG2-CB 4.34Å
1232V29.4Very low36.6Very low154 Ų154118.2 Ų118.293%0.93365%0.651SS**SBendtrans-96.422.7147.4-173.30000108.3
1233A38.8Very low36.7Very low77 Ų77117.4 Ų117.464%0.63665%0.645SS**SBendtrans-91.2-33.8-174.900000113.4I1231I1231-A1233 HydrophobicContact CG2-CB 4.34Å
1234D37.8Very low38.4Very low120 Ų120114.1 Ų114.164%0.64263%0.625SS**SBendtrans-123.7102.2-177.4-63.5-41.1000109.1F1236D1234-F1236 PolarHBondContact O-N 3.4Å
1235G29.3Very low40.6Very low88 Ų88112.5 Ų112.591%0.90761%0.612SS**  trans-67.264.1-165.700000116.2
1236F30.3Very low43.1Very low167 Ų167111.9 Ų111.973%0.73260%0.603SS**  trans-101.4141.4168.6-74.6-82.7000110.9D1234 L1238D1234-F1236 PolarHBondContact O-N 3.4Å; F1236-L1238 PolarHBondContact O-N 2.73Å
1237P27.7Very low45.9Very low100 Ų100108.3 Ų108.365%0.64958%0.578SS**  trans-63133.5-177.724.9-31.7000111.1F1239P1237-F1239 VanDerWaalsContact C-N 3.35Å; P1237-F1239 PolarHBondContact O-N 2.73Å
1238L29.1Very low48.7Very low169 Ų169107.6 Ų107.689%0.88556%0.563SS**  trans-58.889.9171.8-89.8140.7000110.2F1236 K1240F1236-L1238 PolarHBondContact O-N 2.73Å; L1238-K1240 PolarHBondContact O-N 3.25Å
1239F30.1Very low51.5Low190 Ų190105.7 Ų105.783%0.83356%0.564SS**  trans-67.3112148.6-75.1-84.7000105.6P1237 A1241P1237-F1239 VanDerWaalsContact C-N 3.35Å; P1237-F1239 PolarHBondContact O-N 2.73Å; F1239-A1241 PolarHBondContact O-N 2.86Å
1240K34.3Very low54.2Low186 Ų186100.5 Ų100.581%0.80953%0.534SS*.  trans-61.192.8167-80.9-178.8176.2179.10106.6L1238 E1242L1238-K1240 PolarHBondContact O-N 3.25Å; K1240-E1242 PolarHBondContact O-N 2.59Å; K1240-E1242 VanDerWaalsContact O-N 3.07Å
1241A41.4Very low56.7Low53 Ų5394.9 Ų94.944%0.43852%0.522SS..  trans-64.5109.1163.800000106.1F1239 D1243F1239-A1241 PolarHBondContact O-N 2.86Å; A1241-D1243 PolarHBondContact O-N 3.44Å
1242E56.9Low58.8Low108 Ų10892.1 Ų92.151%0.50551%0.514SS..  trans-73.4117170.4-66.5-176.9170.100107.6K1240 R1247K1240-E1242 PolarHBondContact O-N 2.59Å; K1240-E1242 VanDerWaalsContact O-N 3.07Å; E1242-R1247 HydrophobicContact CB-CG 3.87Å
1243D79.5Confident61Low10 Ų1092.6 Ų92.65%0.05350%0.503CS..  trans-66.7168.7169.759.342.6000110.9S1222 V1223 A1241 I1245 S1246 R1247S1222-D1243 WeakPolarHBondContact CA-OD2 3.26Å; V1223-D1243 HydrophobicContact CG2-CB 4.03Å; V1223-D1243 WeakPolarHBondContact CG2-OD2 3.47Å; V1223-D1243 PolarHBondContact N-OD2 2.89Å; A1241-D1243 PolarHBondContact O-N 3.44Å; D1243-I1245 VanDerWaalsContact C-N 3.31Å; D1243-I1245 PolarHBondContact O-N 2.98Å; D1243-I1245 PolarHBondContact OD1-N 3.12Å; D1243-S1246 PolarHBondContact O-N 3.24Å; D1243-S1246 WeakPolarHBondContact OD1-CA 3.37Å; D1243-S1246 WeakPolarHBondContact OD1-CB 3.5Å; D1243-S1246 PolarHBondContact OD1-N 2.7Å; D1243-S1246 PolarHBondContact OD1-OG 2.86Å; D1243-S1246 PolarHBondContact OD2-OG 3.45Å; D1243-R1247 WeakPolarHBondContact O-CG 3.4Å; D1243-R1247 PolarHBondContact O-N 2.91Å
1244Y88.6Confident63Low0 Ų090.6 Ų90.60%048%0.484CS..Hα-helixtrans-60-40.4-178.8-159.6-96000112.3H1046 G1047 L1048 D1165 Q1220 S1246 R1247 K1248 W1250 L1259H1046-Y1244 HydrophobicContact CB-CE2 3.99Å; H1046-Y1244 PolarHBondContact O-OH 3.14Å; H1046-Y1244 VanDerWaalsContact O-OH 3.12Å; G1047-Y1244 WeakPolarHBondContact O-CE2 3.46Å; L1048-Y1244 HydrophobicContact CD2-CD2 3.36Å; L1048-Y1244 HydrophobicContact CD2-CE2 3.65Å; L1048-Y1244 HydrophobicContact CD2-CG 3.87Å; L1048-Y1244 HydrophobicContact CG-CD2 3.95Å; L1048-Y1244 HydrophobicContact CG-CE2 3.67Å; D1165-Y1244 WeakPolarHBondContact CB-OH 3.2Å; D1165-Y1244 PolarHBondContact OD2-OH 2.98Å; Q1220-Y1244 WeakPolarHBondContact O-CB 3.36Å; Q1220-Y1244 PolarHBondContact O-N 3.39Å; Y1244-S1246 VanDerWaalsContact C-N 3.33Å; Y1244-S1246 PolarHBondContact O-N 3.36Å; Y1244-R1247 VanDerWaalsContact CD2-NH2 3.35Å; Y1244-R1247 PolarHBondContact O-N 2.85Å; Y1244-K1248 HydrophobicContact CD1-CG 3.82Å; Y1244-K1248 HydrophobicContact CE1-CD 4.18Å; Y1244-K1248 HydrophobicContact CE1-CG 3.54Å; Y1244-K1248 WeakPolarHBondContact O-CB 3.4Å; Y1244-K1248 WeakPolarHBondContact O-CG 3.42Å; Y1244-K1248 PolarHBondContact O-N 2.93Å; Y1244-W1250 HydrophobicContact CD1-CE3 4.49Å; Y1244-W1250 HydrophobicContact CD1-CZ3 4.33Å; Y1244-W1250 HydrophobicContact CE1-CE3 4.48Å; Y1244-W1250 HydrophobicContact CE1-CH2 4.45Å; Y1244-W1250 AromaticContact CE1-CZ3 3.96Å; Y1244-W1250 HydrophobicContact CE1-CZ3 3.96Å; Y1244-L1259 HydrophobicContact CD1-CD1 3.77Å; Y1244-L1259 HydrophobicContact CE1-CD1 3.92Å
1245I86.3Confident65.2Low19 Ų1984.9 Ų84.910%0.09745%0.454CS..Hα-helixtrans-60.1-42.9178.1-77.1174.4000111.6V1221 D1243 K1248 Q1249 W1250 A1255V1221-I1245 HydrophobicContact CG1-CD1 4.03Å; V1221-I1245 HydrophobicContact CG1-CG1 4.25Å; V1221-I1245 WeakPolarHBondContact O-CB 3.24Å; V1221-I1245 WeakPolarHBondContact O-CD1 3.42Å; V1221-I1245 WeakPolarHBondContact O-CG1 3.39Å; V1221-I1245 PolarHBondContact O-N 3.45Å; D1243-I1245 VanDerWaalsContact C-N 3.31Å; D1243-I1245 PolarHBondContact O-N 2.98Å; D1243-I1245 PolarHBondContact OD1-N 3.12Å; I1245-K1248 PolarHBondContact O-N 3.5Å; I1245-Q1249 CarbonylContact O-C 3.58Å; I1245-Q1249 WeakPolarHBondContact O-CA 3.31Å; I1245-Q1249 PolarHBondContact O-N 3.04Å; I1245-W1250 HydrophobicContact CG2-CB 4.34Å; I1245-W1250 WeakPolarHBondContact CG2-O 3.49Å; I1245-W1250 PolarHBondContact O-N 2.9Å; I1245-A1255 HydrophobicContact CD1-CB 3.81Å; I1245-A1255 HydrophobicContact CG1-CB 3.73Å
1246S85.5Confident67.6Low63 Ų6383.1 Ų83.144%0.44142%0.422SS..Hα-helixtrans-68.5-43.9-179.6-59.50000110.6D1243 Y1244 K1248 Q1249D1243-S1246 PolarHBondContact O-N 3.24Å; D1243-S1246 WeakPolarHBondContact OD1-CA 3.37Å; D1243-S1246 WeakPolarHBondContact OD1-CB 3.5Å; D1243-S1246 PolarHBondContact OD1-N 2.7Å; D1243-S1246 PolarHBondContact OD1-OG 2.86Å; D1243-S1246 PolarHBondContact OD2-OG 3.45Å; Y1244-S1246 VanDerWaalsContact C-N 3.33Å; Y1244-S1246 PolarHBondContact O-N 3.36Å; S1246-K1248 VanDerWaalsContact C-N 3.35Å; S1246-K1248 PolarHBondContact O-N 2.87Å; S1246-Q1249 PolarHBondContact O-N 3.31Å
1247R89.9Confident69.8Low23 Ų2378.1 Ų78.19%0.08740%0.4CS..Hα-helixtrans-60.2-42.6175.4-72.4-169.4-74.8144.3-8.3112.1D1027 G1047 E1242 D1243 Y1244D1027-R1247 IonicContact OD1-CZ 3.19Å; D1027-R1247 IonicContact OD1-NH1 2.79Å; D1027-R1247 PolarHBondContact OD1-NH1 2.74Å; D1027-R1247 VanDerWaalsContact OD2-CD 3.26Å; D1027-R1247 WeakPolarHBondContact OD2-CD 3.38Å; G1047-R1247 PolarHBondContact O-NH1 2.83Å; G1047-R1247 VanDerWaalsContact O-NH1 3.1Å; G1047-R1247 PolarHBondContact O-NH2 2.91Å; G1047-R1247 VanDerWaalsContact O-NH2 3.1Å; E1242-R1247 HydrophobicContact CB-CG 3.87Å; D1243-R1247 WeakPolarHBondContact O-CG 3.4Å; D1243-R1247 PolarHBondContact O-N 2.91Å; Y1244-R1247 VanDerWaalsContact CD2-NH2 3.35Å; Y1244-R1247 PolarHBondContact O-N 2.85Å
1248K88.4Confident72.6Confident29 Ų2974.5 Ų74.513%0.12637%0.373CS..Hα-helixtrans-84.1-5.1179-67.7-72.4-70.8-1700114.9H1046 D1165 T1167 E1168 Y1244 I1245 S1246 W1250H1046-K1248 HydrophobicContact CB-CD 3.85Å; H1046-K1248 HydrophobicContact CB-CG 4.48Å; H1046-K1248 WeakPolarHBondContact CD2-CD 3.38Å; D1165-K1248 WeakPolarHBondContact OD2-CE 3.46Å; D1165-K1248 IonicContact OD2-NZ 2.88Å; D1165-K1248 PolarHBondContact OD2-NZ 3.18Å; D1165-K1248 VanDerWaalsContact OD2-NZ 3.17Å; T1167-K1248 WeakPolarHBondContact OG1-CE 3.35Å; T1167-K1248 PolarHBondContact OG1-NZ 3.31Å; E1168-K1248 IonicContact OE1-NZ 3.91Å; E1168-K1248 PolarHBondContact OE1-NZ 3.35Å; Y1244-K1248 HydrophobicContact CD1-CG 3.82Å; Y1244-K1248 HydrophobicContact CE1-CD 4.18Å; Y1244-K1248 HydrophobicContact CE1-CG 3.54Å; Y1244-K1248 WeakPolarHBondContact O-CB 3.4Å; Y1244-K1248 WeakPolarHBondContact O-CG 3.42Å; Y1244-K1248 PolarHBondContact O-N 2.93Å; I1245-K1248 PolarHBondContact O-N 3.5Å; S1246-K1248 VanDerWaalsContact C-N 3.35Å; S1246-K1248 PolarHBondContact O-N 2.87Å; K1248-W1250 HydrophobicContact CB-CB 4.24Å; K1248-W1250 HydrophobicContact CB-CD2 3.65Å; K1248-W1250 HydrophobicContact CB-CE3 4.18Å; K1248-W1250 HydrophobicContact CB-CG 3.64Å; K1248-W1250 HydrophobicContact CG-CD2 4.26Å; K1248-W1250 HydrophobicContact CG-CE3 4.42Å; K1248-W1250 PolarHBondContact O-N 3.31Å
1249Q86.8Confident75.2Confident181 Ų18166.5 Ų66.585%0.84633%0.331SS*.THydrogen-bonded Turntrans53.138-171-54.3-179.43.300113.3I1245 S1246I1245-Q1249 CarbonylContact O-C 3.58Å; I1245-Q1249 WeakPolarHBondContact O-CA 3.31Å; I1245-Q1249 PolarHBondContact O-N 3.04Å; S1246-Q1249 PolarHBondContact O-N 3.31Å
1250W86Confident77.4Confident47 Ų4758.9 Ų58.918%0.17831%0.306CS..  trans-89.5170.3-175.7-81.93.7000113.4D1165 T1167 Y1244 I1245 K1248 A1255 W1258 L1259D1165-W1250 WeakPolarHBondContact OD1-CH2 3.34Å; D1165-W1250 WeakPolarHBondContact OD2-CH2 3.44Å; T1167-W1250 HydrophobicContact CG2-CH2 4.03Å; T1167-W1250 HydrophobicContact CG2-CZ2 3.62Å; T1167-W1250 WeakPolarHBondContact OG1-CZ2 3.45Å; Y1244-W1250 HydrophobicContact CD1-CE3 4.49Å; Y1244-W1250 HydrophobicContact CD1-CZ3 4.33Å; Y1244-W1250 HydrophobicContact CE1-CE3 4.48Å; Y1244-W1250 HydrophobicContact CE1-CH2 4.45Å; Y1244-W1250 AromaticContact CE1-CZ3 3.96Å; Y1244-W1250 HydrophobicContact CE1-CZ3 3.96Å; I1245-W1250 HydrophobicContact CG2-CB 4.34Å; I1245-W1250 WeakPolarHBondContact CG2-O 3.49Å; I1245-W1250 PolarHBondContact O-N 2.9Å; K1248-W1250 HydrophobicContact CB-CB 4.24Å; K1248-W1250 HydrophobicContact CB-CD2 3.65Å; K1248-W1250 HydrophobicContact CB-CE3 4.18Å; K1248-W1250 HydrophobicContact CB-CG 3.64Å; K1248-W1250 HydrophobicContact CG-CD2 4.26Å; K1248-W1250 HydrophobicContact CG-CE3 4.42Å; K1248-W1250 PolarHBondContact O-N 3.31Å; W1250-A1255 HydrophobicContact CE3-CB 4.28Å; W1250-W1258 HydrophobicContact CH2-CB 3.69Å; W1250-W1258 AromaticContact CH2-CD1 3.68Å; W1250-W1258 AromaticContact CH2-CG 3.88Å; W1250-W1258 HydrophobicContact CH2-CG 3.88Å; W1250-W1258 AromaticContact CZ2-CD1 3.79Å; W1250-W1258 HydrophobicContact CZ2-CG 4.32Å; W1250-W1258 HydrophobicContact CZ3-CB 3.98Å; W1250-W1258 HydrophobicContact CZ3-CG 4.43Å; W1250-L1259 HydrophobicContact CZ3-CD1 4.43Å; W1250-L1259 HydrophobicContact CZ3-CG 4.37Å
1251T81.6Confident79.3Confident82 Ų8253.2 Ų53.250%0.50329%0.285SS..  trans-97.6160161.369.70000109.4K1253 S1254 A1255T1251-K1253 PolarHBondContact O-N 3.44Å; T1251-S1254 WeakPolarHBondContact O-CA 3.49Å; T1251-S1254 WeakPolarHBondContact O-CB 3.48Å; T1251-S1254 PolarHBondContact O-N 2.88Å; T1251-S1254 PolarHBondContact OG1-N 3.18Å; T1251-S1254 VanDerWaalsContact OG1-N 3.17Å; T1251-S1254 PolarHBondContact OG1-OG 2.69Å; T1251-A1255 PolarHBondContact O-N 3.46Å
1252S76.9Confident81.3Confident69 Ų6951.4 Ų51.448%0.48327%0.268SS..Hα-helixtrans-55.3-36.7172.4-52.70000112.3S1254 A1255 E1256S1252-S1254 VanDerWaalsContact C-N 3.31Å; S1252-S1254 PolarHBondContact O-N 3.26Å; S1252-A1255 PolarHBondContact O-N 3.46Å; S1252-E1256 WeakPolarHBondContact O-CG 3.14Å; S1252-E1256 PolarHBondContact O-N 3Å
1253K75.2Confident82.5Confident163 Ų16346.9 Ų46.971%0.70925%0.248SC*.Hα-helixtrans-63-36.7175.3-170.2180-179.5-176.40112.4T1251 K1257T1251-K1253 PolarHBondContact O-N 3.44Å; K1253-K1257 PolarHBondContact O-N 3.4Å; K1253-K1257 VanDerWaalsContact O-N 3.1Å
1254S81.4Confident82.2Confident35 Ų3547.2 Ų47.225%0.24525%0.251CS..Hα-helixtrans-68.4-42.6175.5-54.20000111.4T1251 S1252 K1257 W1258T1251-S1254 WeakPolarHBondContact O-CA 3.49Å; T1251-S1254 WeakPolarHBondContact O-CB 3.48Å; T1251-S1254 PolarHBondContact O-N 2.88Å; T1251-S1254 PolarHBondContact OG1-N 3.18Å; T1251-S1254 VanDerWaalsContact OG1-N 3.17Å; T1251-S1254 PolarHBondContact OG1-OG 2.69Å; S1252-S1254 VanDerWaalsContact C-N 3.31Å; S1252-S1254 PolarHBondContact O-N 3.26Å; S1254-K1257 PolarHBondContact O-N 3.14Å; S1254-W1258 PolarHBondContact O-N 3.46Å
1255A83.7Confident80.9Confident1 Ų150.6 Ų50.61%0.00826%0.264CS..Hα-helixtrans-63.4-41.6176.300000111.9V1221 I1245 W1250 T1251 S1252 K1257 W1258 L1259V1221-A1255 HydrophobicContact CG1-CB 3.96Å; I1245-A1255 HydrophobicContact CD1-CB 3.81Å; I1245-A1255 HydrophobicContact CG1-CB 3.73Å; W1250-A1255 HydrophobicContact CE3-CB 4.28Å; T1251-A1255 PolarHBondContact O-N 3.46Å; S1252-A1255 PolarHBondContact O-N 3.46Å; A1255-K1257 VanDerWaalsContact C-N 3.33Å; A1255-K1257 PolarHBondContact O-N 3.17Å; A1255-W1258 PolarHBondContact O-N 3.01Å; A1255-L1259 WeakPolarHBondContact O-CA 3.45Å; A1255-L1259 VanDerWaalsContact O-CB 3.25Å; A1255-L1259 WeakPolarHBondContact O-CB 3.33Å; A1255-L1259 PolarHBondContact O-N 3.45Å
1256E79.2Confident79.1Confident50 Ų5056.8 Ų56.823%0.23429%0.29CS..Hα-helixtrans-57.8-45.1172.7-73.9172.9-167.200111.9S1252 G1260 L1263 K1267S1252-E1256 WeakPolarHBondContact O-CG 3.14Å; S1252-E1256 PolarHBondContact O-N 3Å; E1256-G1260 WeakPolarHBondContact O-CA 3.49Å; E1256-G1260 PolarHBondContact O-N 3.13Å; E1256-L1263 HydrophobicContact CG-CD1 4.23Å; E1256-K1267 VanDerWaalsContact OE2-CE 3.24Å; E1256-K1267 WeakPolarHBondContact OE2-CE 3.37Å; E1256-K1267 IonicContact OE2-NZ 3.17Å
1257K78.2Confident76.7Confident63 Ų6364.4 Ų64.427%0.27432%0.316SS..Hα-helixtrans-60-48.5179172.5171.2-177.8-178.90113.5E823 K1253 S1254 A1255E823-K1257 VanDerWaalsContact OE1-CA 3.31Å; E823-K1257 WeakPolarHBondContact OE1-CA 3.17Å; E823-K1257 WeakPolarHBondContact OE2-CA 3.4Å; E823-K1257 VanDerWaalsContact OE2-CB 3.31Å; E823-K1257 WeakPolarHBondContact OE2-CB 3.5Å; E823-K1257 VanDerWaalsContact OE2-CG 3.25Å; E823-K1257 WeakPolarHBondContact OE2-CG 3.38Å; K1253-K1257 PolarHBondContact O-N 3.4Å; K1253-K1257 VanDerWaalsContact O-N 3.1Å; S1254-K1257 PolarHBondContact O-N 3.14Å; A1255-K1257 VanDerWaalsContact C-N 3.33Å; A1255-K1257 PolarHBondContact O-N 3.17Å
1258W84.9Confident76Confident24 Ų2466.5 Ų66.59%0.09133%0.327CS..Hα-helixtrans-90.8-27.7-171.4-62.3116.1000113.6P820 L1166 T1167 M1190 W1250 S1254 A1255P820-W1258 HydrophobicContact CB-CZ3 4.44Å; P820-W1258 HydrophobicContact CG-CE3 3.73Å; P820-W1258 HydrophobicContact CG-CH2 4.17Å; P820-W1258 HydrophobicContact CG-CZ3 3.36Å; L1166-W1258 HydrophobicContact CB-CE3 4.27Å; L1166-W1258 HydrophobicContact CB-CZ3 4.25Å; T1167-W1258 HydrophobicContact CG2-CD2 3.44Å; T1167-W1258 VanDerWaalsContact CG2-CD2 3.44Å; T1167-W1258 VanDerWaalsContact CG2-CE2 3.45Å; T1167-W1258 HydrophobicContact CG2-CE3 3.83Å; T1167-W1258 HydrophobicContact CG2-CG 3.74Å; T1167-W1258 HydrophobicContact CG2-CH2 4.25Å; T1167-W1258 HydrophobicContact CG2-CZ2 3.9Å; T1167-W1258 HydrophobicContact CG2-CZ3 4.2Å; M1190-W1258 HydrophobicContact CB-CH2 4.49Å; M1190-W1258 HydrophobicContact CB-CZ3 4.37Å; M1190-W1258 HydrophobicContact CE-CH2 4.28Å; M1190-W1258 HydrophobicContact CE-CZ2 4.48Å; M1190-W1258 HydrophobicContact CG-CH2 3.6Å; M1190-W1258 HydrophobicContact CG-CZ3 3.76Å; W1250-W1258 HydrophobicContact CH2-CB 3.69Å; W1250-W1258 AromaticContact CH2-CD1 3.68Å; W1250-W1258 AromaticContact CH2-CG 3.88Å; W1250-W1258 HydrophobicContact CH2-CG 3.88Å; W1250-W1258 AromaticContact CZ2-CD1 3.79Å; W1250-W1258 HydrophobicContact CZ2-CG 4.32Å; W1250-W1258 HydrophobicContact CZ3-CB 3.98Å; W1250-W1258 HydrophobicContact CZ3-CG 4.43Å; S1254-W1258 PolarHBondContact O-N 3.46Å; A1255-W1258 PolarHBondContact O-N 3.01Å
1259L85.5Confident75.3Confident0 Ų068.5 Ų68.50%034%0.338CS..Hα-helixtrans-113.76.5-175.2-55.7179.4000113.6L1048 D1165 Y1244 W1250 A1255 N1261 V1262 L1263L1048-L1259 HydrophobicContact CD1-CD1 4.42Å; L1048-L1259 HydrophobicContact CD1-CD2 3.92Å; D1165-L1259 HydrophobicContact CB-CD2 4.03Å; Y1244-L1259 HydrophobicContact CD1-CD1 3.77Å; Y1244-L1259 HydrophobicContact CE1-CD1 3.92Å; W1250-L1259 HydrophobicContact CZ3-CD1 4.43Å; W1250-L1259 HydrophobicContact CZ3-CG 4.37Å; A1255-L1259 WeakPolarHBondContact O-CA 3.45Å; A1255-L1259 VanDerWaalsContact O-CB 3.25Å; A1255-L1259 WeakPolarHBondContact O-CB 3.33Å; A1255-L1259 PolarHBondContact O-N 3.45Å; L1259-N1261 PolarHBondContact O-N 3.26Å; L1259-N1261 PolarHBondContact O-OD1 2.86Å; L1259-V1262 HydrophobicContact CB-CG2 3.88Å; L1259-V1262 HydrophobicContact CD2-CG2 4.36Å; L1259-V1262 WeakPolarHBondContact O-CG2 3.3Å; L1259-V1262 PolarHBondContact O-N 3.01Å; L1259-L1263 HydrophobicContact CB-CD2 4.27Å; L1259-L1263 HydrophobicContact CB-CG 4.49Å; L1259-L1263 WeakPolarHBondContact O-CG 3.11Å; L1259-L1263 PolarHBondContact O-N 2.95Å
1260G76.4Confident74.7Confident30 Ų3062.2 Ų62.231%0.30931%0.309SS..THydrogen-bonded Turntrans-54.5-23.8-172.700000115.2E1256E1256-G1260 WeakPolarHBondContact O-CA 3.49Å; E1256-G1260 PolarHBondContact O-N 3.13Å
1261N73.8Confident74.1Confident67 Ų6763.1 Ų63.136%0.35832%0.317SS..THydrogen-bonded Turntrans-72.8-27.3174.261.6-18.8000113.9T819 K1215 L1259T819-N1261 HydrophobicContact CG2-CB 4.3Å; K1215-N1261 PolarHBondContact NZ-O 3.23Å; L1259-N1261 PolarHBondContact O-N 3.26Å; L1259-N1261 PolarHBondContact O-OD1 2.86Å
1262V83.7Confident73.6Confident15 Ų1561.9 Ų61.99%0.09131%0.306CS..THydrogen-bonded Turntrans-105.1-9.7-177.9-63.80000114.4P1164 G1214 K1215 I1216 L1259P1164-V1262 HydrophobicContact CB-CG1 4.05Å; P1164-V1262 HydrophobicContact CG-CG1 4.01Å; P1164-V1262 HydrophobicContact CG-CG2 4.22Å; G1214-V1262 WeakPolarHBondContact O-CB 3.5Å; K1215-V1262 CarbonylContact C-O 3.43Å; K1215-V1262 VanDerWaalsContact CA-O 3.3Å; K1215-V1262 WeakPolarHBondContact CA-O 3.45Å; K1215-V1262 WeakPolarHBondContact CD-O 3.5Å; I1216-V1262 HydrophobicContact CD1-CG2 4.03Å; I1216-V1262 HydrophobicContact CG1-CG2 4.31Å; I1216-V1262 PolarHBondContact N-O 3.45Å; L1259-V1262 HydrophobicContact CB-CG2 3.88Å; L1259-V1262 HydrophobicContact CD2-CG2 4.36Å; L1259-V1262 WeakPolarHBondContact O-CG2 3.3Å; L1259-V1262 PolarHBondContact O-N 3.01Å
1263L80.7Confident73.4Confident14 Ų1461.5 Ų61.57%0.07329%0.294CS..BIsolated β-bridgetrans-65.6141.4174.7-57.1-176.7000112K1215 I1216 V1221 E1256 L1259 Y1265K1215-L1263 PolarHBondContact NZ-O 3.21Å; I1216-L1263 HydrophobicContact CD1-CD2 4.37Å; I1216-L1263 HydrophobicContact CG1-CD2 4.35Å; V1221-L1263 HydrophobicContact CB-CD2 4.46Å; V1221-L1263 HydrophobicContact CG1-CD2 4.2Å; V1221-L1263 HydrophobicContact CG2-CD2 3.62Å; E1256-L1263 HydrophobicContact CG-CD1 4.23Å; L1259-L1263 HydrophobicContact CB-CD2 4.27Å; L1259-L1263 HydrophobicContact CB-CG 4.49Å; L1259-L1263 WeakPolarHBondContact O-CG 3.11Å; L1259-L1263 PolarHBondContact O-N 2.95Å; L1263-Y1265 HydrophobicContact CB-CE1 4.43Å; L1263-Y1265 HydrophobicContact CD1-CE2 4.32Å; L1263-Y1265 HydrophobicContact CD2-CE1 4.06Å
1264S73.8Confident73.2Confident17 Ų1754.2 Ų54.212%0.11926%0.264CS..  trans-95.4-12.8175.567.80000114.5I1216I1216-S1264 WeakPolarHBondContact O-CB 3.32Å; I1216-S1264 PolarHBondContact O-N 2.94Å; I1216-S1264 PolarHBondContact O-OG 3.49Å
1265Y61.6Low72.6Confident71 Ų7155.7 Ų55.728%0.27827%0.266SS..SBendtrans-110.6159.1-173.553.9-90.4000113N1218 V1221 L1263N1218-Y1265 HydrophobicContact CB-CD1 4.01Å; N1218-Y1265 HydrophobicContact CB-CE1 3.93Å; V1221-Y1265 HydrophobicContact CB-CE1 4.49Å; V1221-Y1265 WeakPolarHBondContact CB-OH 3.46Å; V1221-Y1265 WeakPolarHBondContact CG1-OH 3.02Å; V1221-Y1265 HydrophobicContact CG2-CE1 4.34Å; L1263-Y1265 HydrophobicContact CB-CE1 4.43Å; L1263-Y1265 HydrophobicContact CD1-CE2 4.32Å; L1263-Y1265 HydrophobicContact CD2-CE1 4.06Å
1266K47.7Very low71.7Confident149 Ų14960.3 Ų60.365%0.64829%0.287SS*.  trans-92.6157.6176.3-153.8174.6-176.4173.40110.6Y906Y906-K1266 PolarHBondContact OH-NZ 3.06Å
1267K34.7Very low71Confident223 Ų22361.2 Ų61.297%0.9729%0.292SS*.  trans-57.80166.9-138.2178.8-164.91630112E1256E1256-K1267 VanDerWaalsContact OE2-CE 3.24Å; E1256-K1267 WeakPolarHBondContact OE2-CE 3.37Å; E1256-K1267 IonicContact OE2-NZ 3.17Å

Retrieved 1,267 of 1,267 residues in 990.6 ms (Link to these results)

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