A0A077Z6P9_TRITR Loading...

Glypican domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 625 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
1M82.8Confident90Very high60 Ų6064.4 Ų64.430%0.29630%0.302SS..  0-66.90-171.3-174.6-177.300111.7R3 K4 M5 F27 L31 L254 I260M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 2.76Å; M1-R3 VanDerWaalsContact O-N 3.15Å; M1-K4 WeakPolarHBondContact O-CA 3.34Å; M1-K4 PolarHBondContact O-N 3.09Å; M1-M5 HydrophobicContact CE-SD 3.85Å; M1-M5 HydrophobicContact CG-CG 4.4Å; M1-M5 HydrophobicContact CG-SD 4.07Å; M1-M5 PolarHBondContact O-N 3.03Å; M1-F27 HydrophobicContact CE-CE1 3.7Å; M1-F27 HydrophobicContact CE-CZ 4.38Å; M1-L31 HydrophobicContact CE-CD1 3.68Å; M1-L31 HydrophobicContact SD-CD1 3.69Å; M1-L254 HydrophobicContact CE-CD2 3.65Å; M1-L254 HydrophobicContact SD-CD1 4.23Å; M1-L254 HydrophobicContact SD-CD2 3.67Å; M1-L254 HydrophobicContact SD-CG 4.4Å; M1-I260 HydrophobicContact CE-CB 4.28Å; M1-I260 HydrophobicContact CE-CD1 4.03Å; M1-I260 HydrophobicContact CE-CG2 4Å
2A85.6Confident90.1Very high43 Ų4366.1 Ų66.136%0.35531%0.31SS..Hα-helixtrans-43.7-50.5-179.500000113.9K4 M5 H6 T28A2-K4 PolarHBondContact O-N 2.95Å; A2-M5 PolarHBondContact O-N 2Å; A2-H6 PolarHBondContact O-N 3.47Å; A2-T28 HydrophobicContact CB-CG2 3.67Å
3R86.9Confident90.2Very high132 Ų13262 Ų6250%0.49829%0.291SS..Hα-helixtrans-56.4-44.2176.7-167.3-171.4-63160-0.2113.4M1 H6 Q7 L315 L317M1-R3 VanDerWaalsContact C-N 3.29Å; M1-R3 PolarHBondContact O-N 2.76Å; M1-R3 VanDerWaalsContact O-N 3.15Å; R3-H6 PolarHBondContact O-N 2.94Å; R3-Q7 WeakPolarHBondContact O-CB 3.48Å; R3-Q7 PolarHBondContact O-N 2.96Å; R3-L315 PolarHBondContact NE-O 3.07Å; R3-L315 PolarHBondContact NH2-O 3.37Å; R3-L317 PolarHBondContact NH1-O 3.08Å; R3-L317 PolarHBondContact NH2-O 2.94Å
4K90Very high90Very high100 Ų10063.2 Ų63.244%0.43531%0.309SS..Hα-helixtrans-70.1-36178.6-72.6-168.2171.9-168.80112.1M1 A2 M8 I255 I261M1-K4 WeakPolarHBondContact O-CA 3.34Å; M1-K4 PolarHBondContact O-N 3.09Å; A2-K4 PolarHBondContact O-N 2.95Å; K4-M8 WeakPolarHBondContact O-CB 3.22Å; K4-M8 PolarHBondContact O-N 2.91Å; K4-I255 HydrophobicContact CD-CD1 4.16Å; K4-I255 HydrophobicContact CD-CG1 4.35Å; K4-I255 HydrophobicContact CD-CG2 4.11Å; K4-I255 VanDerWaalsContact NZ-CG2 3.32Å; K4-I261 HydrophobicContact CB-CD1 3.68Å; K4-I261 HydrophobicContact CD-CD1 4.39Å
5M90.5Very high89.8Confident0 Ų065.5 Ų65.50%032%0.319CS..Hα-helixtrans-64.1-47.3173.6-66.4175.185.200110.5M1 A2 Q7 M8 F9 L24 F27 T28 F77 I261 I264M1-M5 HydrophobicContact CE-SD 3.85Å; M1-M5 HydrophobicContact CG-CG 4.4Å; M1-M5 HydrophobicContact CG-SD 4.07Å; M1-M5 PolarHBondContact O-N 3.03Å; A2-M5 PolarHBondContact O-N 2Å; M5-Q7 PolarHBondContact O-N 3.27Å; M5-M8 PolarHBondContact O-N 2.93Å; M5-F9 VanDerWaalsContact O-CD2 3.22Å; M5-F9 WeakPolarHBondContact O-CD2 3.35Å; M5-F9 PolarHBondContact O-N 3.31Å; M5-L24 HydrophobicContact CB-CD1 4.42Å; M5-L24 HydrophobicContact CB-CD2 3.67Å; M5-L24 HydrophobicContact CE-CD2 3.34Å; M5-L24 HydrophobicContact CG-CD2 4.3Å; M5-L24 HydrophobicContact SD-CD2 3.79Å; M5-F27 HydrophobicContact CE-CD1 3.81Å; M5-F27 HydrophobicContact CE-CE1 3.85Å; M5-F27 HydrophobicContact SD-CD1 4.2Å; M5-F27 HydrophobicContact SD-CE1 4.3Å; M5-T28 HydrophobicContact SD-CG2 4.39Å; M5-F77 HydrophobicContact CE-CE1 4.01Å; M5-F77 HydrophobicContact CE-CE2 4.28Å; M5-F77 HydrophobicContact CE-CZ 3.71Å; M5-I261 HydrophobicContact CG-CD1 4.25Å; M5-I261 HydrophobicContact CG-CG1 3.78Å; M5-I264 HydrophobicContact CE-CD1 3.38Å
6H90.7Very high89.7Confident62 Ų6261.4 Ų61.429%0.28730%0.299SS..Hα-helixtrans-60.4-45.4177.7-175.457.4000111.7A2 R3 M8 F9 E10 L24A2-H6 PolarHBondContact O-N 3.47Å; R3-H6 PolarHBondContact O-N 2.94Å; H6-M8 PolarHBondContact O-N 3.36Å; H6-F9 PolarHBondContact O-N 3.37Å; H6-E10 IonicContact CE1-OE1 3.92Å; H6-E10 PolarHBondContact CE1-OE1 3.46Å; H6-E10 IonicContact NE2-OE1 2.89Å; H6-E10 WeakPolarHBondContact O-CG 3.22Å; H6-E10 PolarHBondContact O-N 3.32Å; H6-L24 HydrophobicContact CB-CD1 4.36Å
7Q93.2Very high89.6Confident100 Ų10057.9 Ų57.947%0.46728%0.283SS..Hα-helixtrans-57.3-46.6174.2-177.9178.83.300112.2R3 M5 F9 E10 E11R3-Q7 WeakPolarHBondContact O-CB 3.48Å; R3-Q7 PolarHBondContact O-N 2.96Å; M5-Q7 PolarHBondContact O-N 3.27Å; Q7-F9 VanDerWaalsContact C-N 3.31Å; Q7-F9 PolarHBondContact O-N 3.29Å; Q7-E10 PolarHBondContact O-N 3.28Å; Q7-E11 HydrophobicContact CG-CG 4.35Å; Q7-E11 WeakPolarHBondContact CG-OE1 3.01Å; Q7-E11 PolarHBondContact NE2-OE1 3.1Å; Q7-E11 WeakPolarHBondContact O-CB 3.05Å; Q7-E11 WeakPolarHBondContact O-CG 3.44Å; Q7-E11 PolarHBondContact O-N 3.3Å
8M93.2Very high89.4Confident12 Ų1265.8 Ų65.86%0.05931%0.309CS..Hα-helixtrans-58.6-42.8176.6175.1-79.4-67.200111.8K4 M5 H6 E11 H12 F13 I261 I264 K265K4-M8 WeakPolarHBondContact O-CB 3.22Å; K4-M8 PolarHBondContact O-N 2.91Å; M5-M8 PolarHBondContact O-N 2.93Å; H6-M8 PolarHBondContact O-N 3.36Å; M8-E11 PolarHBondContact O-N 3.16Å; M8-H12 WeakPolarHBondContact O-CB 3.29Å; M8-H12 PolarHBondContact O-CD2 3.14Å; M8-H12 PolarHBondContact O-N 3.44Å; M8-F13 HydrophobicContact SD-CD2 3.96Å; M8-F13 HydrophobicContact SD-CE2 3.75Å; M8-I261 HydrophobicContact CB-CG2 4.19Å; M8-I261 HydrophobicContact CG-CG2 4.22Å; M8-I264 HydrophobicContact CE-CB 4.02Å; M8-I264 HydrophobicContact CE-CG2 3.6Å; M8-K265 HydrophobicContact CG-CB 4.45Å; M8-K265 HydrophobicContact SD-CB 4.22Å
9F93.1Very high89.2Confident0 Ų065.7 Ų65.70%032%0.315CS..Hα-helixtrans-67.5-39.6176.5-82.9-71.3000113M5 H6 Q7 F13 S14 I16 I20 L24 I264 I268M5-F9 VanDerWaalsContact O-CD2 3.22Å; M5-F9 WeakPolarHBondContact O-CD2 3.35Å; M5-F9 PolarHBondContact O-N 3.31Å; H6-F9 PolarHBondContact O-N 3.37Å; Q7-F9 VanDerWaalsContact C-N 3.31Å; Q7-F9 PolarHBondContact O-N 3.29Å; F9-F13 HydrophobicContact CD1-CB 4.17Å; F9-F13 AromaticContact CD1-CD2 3.82Å; F9-F13 HydrophobicContact CD1-CD2 3.82Å; F9-F13 HydrophobicContact CD1-CG 4.44Å; F9-F13 HydrophobicContact CE1-CD2 4.13Å; F9-F13 CarbonylContact O-C 3.59Å; F9-F13 VanDerWaalsContact O-CA 3.24Å; F9-F13 WeakPolarHBondContact O-CA 3.5Å; F9-F13 PolarHBondContact O-N 3.15Å; F9-S14 PolarHBondContact O-N 3.47Å; F9-I16 HydrophobicContact CD1-CD1 4.01Å; F9-I16 HydrophobicContact CD1-CG1 4.17Å; F9-I16 HydrophobicContact CE1-CD1 3.88Å; F9-I20 HydrophobicContact CD1-CD1 3.83Å; F9-I20 HydrophobicContact CD2-CG2 4.05Å; F9-I20 HydrophobicContact CE1-CD1 3.38Å; F9-I20 HydrophobicContact CE1-CG2 4.29Å; F9-I20 HydrophobicContact CE2-CG2 3.8Å; F9-I20 HydrophobicContact CG-CG2 4.42Å; F9-I20 HydrophobicContact CZ-CD1 3.87Å; F9-I20 HydrophobicContact CZ-CG2 3.92Å; F9-L24 HydrophobicContact CD2-CD1 4.08Å; F9-L24 HydrophobicContact CD2-CD2 4.36Å; F9-L24 HydrophobicContact CE2-CD1 4.47Å; F9-L24 HydrophobicContact CE2-CD2 4Å; F9-I264 HydrophobicContact CE1-CG2 4.3Å; F9-I264 HydrophobicContact CE2-CG2 4.11Å; F9-I264 HydrophobicContact CZ-CG2 3.55Å; F9-I268 HydrophobicContact CE1-CD1 3.79Å; F9-I268 HydrophobicContact CZ-CD1 4.29Å
10E91.7Very high89.2Confident78 Ų7862.5 Ų62.536%0.36430%0.299SS..Hα-helixtrans-64.2-40.9175.5-72.9-67.9150.900111.9H6 Q7 S17H6-E10 IonicContact CE1-OE1 3.92Å; H6-E10 PolarHBondContact CE1-OE1 3.46Å; H6-E10 IonicContact NE2-OE1 2.89Å; H6-E10 WeakPolarHBondContact O-CG 3.22Å; H6-E10 PolarHBondContact O-N 3.32Å; Q7-E10 PolarHBondContact O-N 3.28Å; E10-S17 VanDerWaalsContact CD-CB 3.47Å; E10-S17 WeakPolarHBondContact OE1-CB 3.42Å; E10-S17 PolarHBondContact OE1-OG 3.19Å; E10-S17 PolarHBondContact OE2-OG 3.27Å
11E92.5Very high89.2Confident121 Ų12161.1 Ų61.157%0.56529%0.293SS*.Hα-helixtrans-74.9-41.2-177.1-72.6172.4-177.500113Q7 M8Q7-E11 HydrophobicContact CG-CG 4.35Å; Q7-E11 WeakPolarHBondContact CG-OE1 3.01Å; Q7-E11 PolarHBondContact NE2-OE1 3.1Å; Q7-E11 WeakPolarHBondContact O-CB 3.05Å; Q7-E11 WeakPolarHBondContact O-CG 3.44Å; Q7-E11 PolarHBondContact O-N 3.3Å; M8-E11 PolarHBondContact O-N 3.16Å
12H91Very high89.5Confident85 Ų8561.5 Ų61.539%0.39430%0.3SS..Hα-helixtrans-104.7-25.3-172.4-66.4-73.7000114.1M8 K265 E269M8-H12 WeakPolarHBondContact O-CB 3.29Å; M8-H12 PolarHBondContact O-CD2 3.14Å; M8-H12 PolarHBondContact O-N 3.44Å; H12-K265 WeakPolarHBondContact CE1-CE 3.43Å; H12-K265 WeakPolarHBondContact ND1-CE 3.5Å; H12-K265 WeakPolarHBondContact NE2-CE 3.06Å; H12-E269 IonicContact ND1-OE1 3.61Å
13F91Very high89.8Confident13 Ų1362 Ų626%0.05730%0.295CS..  trans-141.950-171.4-46.6-68.9000112.3M8 F9 Q15 I16 S17 I89 K265 I268 E269M8-F13 HydrophobicContact SD-CD2 3.96Å; M8-F13 HydrophobicContact SD-CE2 3.75Å; F9-F13 HydrophobicContact CD1-CB 4.17Å; F9-F13 AromaticContact CD1-CD2 3.82Å; F9-F13 HydrophobicContact CD1-CD2 3.82Å; F9-F13 HydrophobicContact CD1-CG 4.44Å; F9-F13 HydrophobicContact CE1-CD2 4.13Å; F9-F13 CarbonylContact O-C 3.59Å; F9-F13 VanDerWaalsContact O-CA 3.24Å; F9-F13 WeakPolarHBondContact O-CA 3.5Å; F9-F13 PolarHBondContact O-N 3.15Å; F13-Q15 PolarHBondContact O-N 3.42Å; F13-I16 HydrophobicContact CB-CD1 3.67Å; F13-I16 HydrophobicContact CB-CG1 3.48Å; F13-I16 VanDerWaalsContact CB-CG1 3.48Å; F13-I16 HydrophobicContact CG-CD1 4.16Å; F13-I16 HydrophobicContact CG-CG1 4.48Å; F13-I16 WeakPolarHBondContact O-CG1 3.48Å; F13-I16 PolarHBondContact O-N 3.47Å; F13-S17 PolarHBondContact O-N 2.95Å; F13-S17 VanDerWaalsContact O-N 3.17Å; F13-I89 HydrophobicContact CB-CD1 4.32Å; F13-I89 HydrophobicContact CD1-CD1 3.72Å; F13-I89 HydrophobicContact CE1-CD1 4.37Å; F13-I89 HydrophobicContact CG-CD1 4.22Å; F13-K265 HydrophobicContact CE2-CG 4.41Å; F13-K265 HydrophobicContact CZ-CG 4.32Å; F13-I268 HydrophobicContact CD1-CG2 3.85Å; F13-I268 HydrophobicContact CD2-CD1 4.19Å; F13-I268 HydrophobicContact CE1-CB 3.92Å; F13-I268 HydrophobicContact CE1-CG2 3.33Å; F13-I268 HydrophobicContact CE2-CB 4.21Å; F13-I268 HydrophobicContact CE2-CD1 3.91Å; F13-I268 HydrophobicContact CE2-CG2 4.31Å; F13-I268 HydrophobicContact CZ-CB 3.61Å; F13-I268 HydrophobicContact CZ-CD1 4.2Å; F13-I268 HydrophobicContact CZ-CG2 3.59Å; F13-E269 HydrophobicContact CE1-CG 3.82Å; F13-E269 HydrophobicContact CZ-CG 3.78Å
14S88.5Confident90Very high79 Ų7956 Ų5655%0.55227%0.273SS*.Hα-helixtrans-52.6-28.8-175.261.30000114.1F9 I16 S17F9-S14 PolarHBondContact O-N 3.47Å; S14-I16 VanDerWaalsContact C-N 3.28Å; S14-I16 PolarHBondContact O-N 3.37Å; S14-S17 PolarHBondContact O-OG 3.48Å
15Q85.8Confident90Very high97 Ų9755.1 Ų55.145%0.45327%0.27SS..Hα-helixtrans-64.2-24.3174.662.8-135.549.200115.1F13 C88 I89F13-Q15 PolarHBondContact O-N 3.42Å; Q15-C88 HydrophobicContact CB-CB 4.47Å; Q15-C88 HydrophobicContact CG-CB 4.08Å; Q15-C88 PolarHBondContact NE2-O 3.03Å; Q15-I89 HydrophobicContact CG-CG1 4.31Å
16I88.4Confident90.1Very high0 Ų059.3 Ų59.30%029%0.292CS..Hα-helixtrans-116-3.2-179.956.6173.2000113.5F9 F13 S14 R18 P19 I20 P84 V85 C88 I89 I268F9-I16 HydrophobicContact CD1-CD1 4.01Å; F9-I16 HydrophobicContact CD1-CG1 4.17Å; F9-I16 HydrophobicContact CE1-CD1 3.88Å; F13-I16 HydrophobicContact CB-CD1 3.67Å; F13-I16 HydrophobicContact CB-CG1 3.48Å; F13-I16 VanDerWaalsContact CB-CG1 3.48Å; F13-I16 HydrophobicContact CG-CD1 4.16Å; F13-I16 HydrophobicContact CG-CG1 4.48Å; F13-I16 WeakPolarHBondContact O-CG1 3.48Å; F13-I16 PolarHBondContact O-N 3.47Å; S14-I16 VanDerWaalsContact C-N 3.28Å; S14-I16 PolarHBondContact O-N 3.37Å; I16-R18 VanDerWaalsContact C-N 3.31Å; I16-R18 PolarHBondContact O-N 3.29Å; I16-P19 VanDerWaalsContact O-CD 3.32Å; I16-P19 WeakPolarHBondContact O-CD 3.39Å; I16-I20 HydrophobicContact CB-CD1 3.76Å; I16-I20 HydrophobicContact CB-CG1 4.31Å; I16-I20 HydrophobicContact CD1-CD1 3.45Å; I16-I20 VanDerWaalsContact CD1-CD1 3.45Å; I16-I20 HydrophobicContact CG1-CD1 3.74Å; I16-I20 WeakPolarHBondContact O-CB 3.21Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.14Å; I16-I20 VanDerWaalsContact O-N 3.1Å; I16-P84 HydrophobicContact CG2-CB 4.15Å; I16-P84 WeakPolarHBondContact CG2-O 3.44Å; I16-V85 HydrophobicContact CD1-CG2 3.96Å; I16-C88 HydrophobicContact CG2-CB 3.3Å; I16-C88 VanDerWaalsContact CG2-SG 3.57Å; I16-I89 HydrophobicContact CD1-CD1 3.33Å; I16-I89 HydrophobicContact CD1-CG1 4.19Å; I16-I89 HydrophobicContact CG1-CD1 4.13Å; I16-I89 HydrophobicContact CG2-CG1 4.27Å; I16-I268 HydrophobicContact CD1-CD1 4.37Å
17S88.3Confident90.3Very high3 Ų356.5 Ų56.52%0.02128%0.279CS..Hα-helixtrans-57.8-42-174.370.80000113E10 F13 S14 I21E10-S17 VanDerWaalsContact CD-CB 3.47Å; E10-S17 WeakPolarHBondContact OE1-CB 3.42Å; E10-S17 PolarHBondContact OE1-OG 3.19Å; E10-S17 PolarHBondContact OE2-OG 3.27Å; F13-S17 PolarHBondContact O-N 2.95Å; F13-S17 VanDerWaalsContact O-N 3.17Å; S14-S17 PolarHBondContact O-OG 3.48Å; S17-I21 WeakPolarHBondContact O-CG1 3.25Å
18R86.5Confident90.2Very high199 Ų19952.7 Ų52.775%0.75126%0.262SS*.Hα-helixtrans-71.9-52.8175.8-70.2-179.1-176.9-179.41.3113.3I16 I20 I21I16-R18 VanDerWaalsContact C-N 3.31Å; I16-R18 PolarHBondContact O-N 3.29Å; R18-I20 PolarHBondContact O-N 3.45Å; R18-I20 VanDerWaalsContact O-N 3.1Å; R18-I21 PolarHBondContact O-N 3.47Å
19P85.5Confident90.1Very high65 Ų6559.8 Ų59.842%0.42229%0.288SS..Hα-helixtrans-53.4-28.1176.3-29.332.9000115.2I16 P22 P84I16-P19 VanDerWaalsContact O-CD 3.32Å; I16-P19 WeakPolarHBondContact O-CD 3.39Å; P19-P22 WeakPolarHBondContact O-CD 3.48Å; P19-P84 HydrophobicContact CB-CB 4.08Å
20I89.3Confident89.9Confident0 Ų063.1 Ų63.10%030%0.304CS..Hα-helixtrans-85.9-15.9-175-74177.5000113.7F9 I16 R18 P22 H23 L24 I81 P84F9-I20 HydrophobicContact CD1-CD1 3.83Å; F9-I20 HydrophobicContact CD2-CG2 4.05Å; F9-I20 HydrophobicContact CE1-CD1 3.38Å; F9-I20 HydrophobicContact CE1-CG2 4.29Å; F9-I20 HydrophobicContact CE2-CG2 3.8Å; F9-I20 HydrophobicContact CG-CG2 4.42Å; F9-I20 HydrophobicContact CZ-CD1 3.87Å; F9-I20 HydrophobicContact CZ-CG2 3.92Å; I16-I20 HydrophobicContact CB-CD1 3.76Å; I16-I20 HydrophobicContact CB-CG1 4.31Å; I16-I20 HydrophobicContact CD1-CD1 3.45Å; I16-I20 VanDerWaalsContact CD1-CD1 3.45Å; I16-I20 HydrophobicContact CG1-CD1 3.74Å; I16-I20 WeakPolarHBondContact O-CB 3.21Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.14Å; I16-I20 VanDerWaalsContact O-N 3.1Å; R18-I20 PolarHBondContact O-N 3.45Å; R18-I20 VanDerWaalsContact O-N 3.1Å; I20-P22 VanDerWaalsContact C-CD 3.48Å; I20-H23 WeakPolarHBondContact O-CA 3.39Å; I20-H23 WeakPolarHBondContact O-CB 3.19Å; I20-H23 PolarHBondContact O-N 3.17Å; I20-L24 HydrophobicContact CG2-CD1 3.92Å; I20-L24 HydrophobicContact CG2-CD2 4.28Å; I20-L24 HydrophobicContact CG2-CG 3.7Å; I20-L24 PolarHBondContact O-N 2.77Å; I20-I81 HydrophobicContact CD1-CB 4.28Å; I20-I81 HydrophobicContact CD1-CG2 4.27Å; I20-I81 HydrophobicContact CG1-CG2 4.26Å; I20-I81 HydrophobicContact CG2-CG2 4.14Å; I20-P84 HydrophobicContact CD1-CG 4.4Å; I20-P84 HydrophobicContact CG1-CB 4.44Å; I20-P84 HydrophobicContact CG1-CG 3.94Å
21I89Confident89.8Confident35 Ų3559.6 Ų59.618%0.17929%0.288CS..Hα-helixtrans-48.8-49.2-178.6-66172.3000112.9S17 R18 H23 L24 E25S17-I21 WeakPolarHBondContact O-CG1 3.25Å; R18-I21 PolarHBondContact O-N 3.47Å; I21-H23 VanDerWaalsContact C-N 3.27Å; I21-H23 PolarHBondContact O-N 3.08Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.48Å; I21-L24 VanDerWaalsContact O-N 3.16Å; I21-E25 HydrophobicContact CG2-CG 4.42Å; I21-E25 WeakPolarHBondContact O-CG 3.16Å; I21-E25 PolarHBondContact O-N 2.97Å
22P89.1Confident89.6Confident68 Ų6860.2 Ų60.244%0.44229%0.29SS..Hα-helixtrans-61.1-35.9179.8-22.434.5000113P19 I20 E25 I26P19-P22 WeakPolarHBondContact O-CD 3.48Å; I20-P22 VanDerWaalsContact C-CD 3.48Å; P22-E25 PolarHBondContact O-N 3.47Å; P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 VanDerWaalsContact O-CG1 3.25Å; P22-I26 WeakPolarHBondContact O-CG1 3.2Å; P22-I26 PolarHBondContact O-N 2.93Å
23H91.1Very high89.3Confident52 Ų5259.3 Ų59.324%0.24129%0.294CS..Hα-helixtrans-69.5-39.4178.1-63.2-80.3000111.5I20 I21 F27 F77 G80 I81I20-H23 WeakPolarHBondContact O-CA 3.39Å; I20-H23 WeakPolarHBondContact O-CB 3.19Å; I20-H23 PolarHBondContact O-N 3.17Å; I21-H23 VanDerWaalsContact C-N 3.27Å; I21-H23 PolarHBondContact O-N 3.08Å; H23-F27 WeakPolarHBondContact O-CB 2.98Å; H23-F27 PolarHBondContact O-N 2.87Å; H23-F77 HydrophobicContact CB-CD2 4.39Å; H23-F77 HydrophobicContact CB-CE2 4.17Å; H23-G80 PolarHBondContact CE1-O 2.73Å; H23-G80 PolarHBondContact ND1-O 2.98Å; H23-G80 PolarHBondContact NE2-O 3.26Å; H23-I81 HydrophobicContact CB-CG2 4.12Å
24L91.8Very high89Confident8 Ų860.2 Ų60.24%0.04230%0.299CS..Hα-helixtrans-62.9-42.9173.6-67.8173.9000111.8M5 H6 F9 I20 I21 T28 F77M5-L24 HydrophobicContact CB-CD1 4.42Å; M5-L24 HydrophobicContact CB-CD2 3.67Å; M5-L24 HydrophobicContact CE-CD2 3.34Å; M5-L24 HydrophobicContact CG-CD2 4.3Å; M5-L24 HydrophobicContact SD-CD2 3.79Å; H6-L24 HydrophobicContact CB-CD1 4.36Å; F9-L24 HydrophobicContact CD2-CD1 4.08Å; F9-L24 HydrophobicContact CD2-CD2 4.36Å; F9-L24 HydrophobicContact CE2-CD1 4.47Å; F9-L24 HydrophobicContact CE2-CD2 4Å; I20-L24 HydrophobicContact CG2-CD1 3.92Å; I20-L24 HydrophobicContact CG2-CD2 4.28Å; I20-L24 HydrophobicContact CG2-CG 3.7Å; I20-L24 PolarHBondContact O-N 2.77Å; I21-L24 WeakPolarHBondContact O-CB 3.35Å; I21-L24 PolarHBondContact O-N 3.48Å; I21-L24 VanDerWaalsContact O-N 3.16Å; L24-T28 VanDerWaalsContact O-CB 3.32Å; L24-T28 WeakPolarHBondContact O-CB 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.42Å; L24-T28 PolarHBondContact O-N 2.88Å; L24-T28 PolarHBondContact O-OG1 3Å; L24-F77 HydrophobicContact CD2-CE2 3.8Å; L24-F77 HydrophobicContact CD2-CZ 3.79Å; L24-F77 HydrophobicContact CG-CE2 4.47Å
25E90.6Very high88.7Confident81 Ų8158.5 Ų58.538%0.37928%0.282SS..Hα-helixtrans-63.9-47.8178.2-72.6-174.6-172.700111.9I21 P22 F27 T28 R29I21-E25 HydrophobicContact CG2-CG 4.42Å; I21-E25 WeakPolarHBondContact O-CG 3.16Å; I21-E25 PolarHBondContact O-N 2.97Å; P22-E25 PolarHBondContact O-N 3.47Å; E25-F27 PolarHBondContact O-N 2.93Å; E25-T28 PolarHBondContact O-N 2.84Å; E25-T28 PolarHBondContact O-OG1 3.41Å; E25-T28 VanDerWaalsContact O-OG1 3.09Å; E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.21Å; E25-R29 PolarHBondContact O-N 3.22Å; E25-R29 IonicContact OE2-NH2 2.83Å
26I91.9Very high88.1Confident88 Ų8856.1 Ų56.145%0.45128%0.279SS..Hα-helixtrans-60-49.1177.5-68.5165.2000110P22 T28 R29 Q30P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 VanDerWaalsContact O-CG1 3.25Å; P22-I26 WeakPolarHBondContact O-CG1 3.2Å; P22-I26 PolarHBondContact O-N 2.93Å; I26-T28 PolarHBondContact O-N 2.92Å; I26-R29 PolarHBondContact O-N 3.17Å; I26-Q30 HydrophobicContact CG2-CG 4.38Å; I26-Q30 WeakPolarHBondContact O-CB 3.24Å; I26-Q30 WeakPolarHBondContact O-CG 3.2Å; I26-Q30 PolarHBondContact O-N 2.99Å
27F94.4Very high87.1Confident2 Ų260.1 Ų60.11%0.00930%0.303CS..Hα-helixtrans-61.6-45.2-178.8178-123.3000112.2M1 M5 H23 E25 R29 Q30 L31 V74 F77 I260M1-F27 HydrophobicContact CE-CE1 3.7Å; M1-F27 HydrophobicContact CE-CZ 4.38Å; M5-F27 HydrophobicContact CE-CD1 3.81Å; M5-F27 HydrophobicContact CE-CE1 3.85Å; M5-F27 HydrophobicContact SD-CD1 4.2Å; M5-F27 HydrophobicContact SD-CE1 4.3Å; H23-F27 WeakPolarHBondContact O-CB 2.98Å; H23-F27 PolarHBondContact O-N 2.87Å; E25-F27 PolarHBondContact O-N 2.93Å; F27-R29 PolarHBondContact O-N 3.14Å; F27-Q30 PolarHBondContact O-N 3.49Å; F27-L31 HydrophobicContact CD1-CD1 4.28Å; F27-L31 HydrophobicContact CD2-CG 4.26Å; F27-L31 HydrophobicContact CE1-CD1 3.74Å; F27-L31 HydrophobicContact CE1-CG 4.48Å; F27-L31 HydrophobicContact CE2-CD1 3.99Å; F27-L31 HydrophobicContact CE2-CD2 4.05Å; F27-L31 HydrophobicContact CE2-CG 3.94Å; F27-L31 HydrophobicContact CZ-CD1 3.59Å; F27-L31 HydrophobicContact CZ-CD2 4.33Å; F27-L31 HydrophobicContact CZ-CG 4.07Å; F27-L31 WeakPolarHBondContact O-CG 3.35Å; F27-L31 PolarHBondContact O-N 3.23Å; F27-V74 HydrophobicContact CE2-CG2 4.05Å; F27-V74 HydrophobicContact CZ-CG2 4.08Å; F27-F77 HydrophobicContact CB-CB 4.2Å; F27-F77 HydrophobicContact CB-CD2 3.51Å; F27-F77 HydrophobicContact CB-CE2 4.22Å; F27-F77 HydrophobicContact CB-CG 4.07Å; F27-F77 HydrophobicContact CD1-CB 4.46Å; F27-F77 HydrophobicContact CD1-CD1 4.46Å; F27-F77 AromaticContact CD1-CD2 3.97Å; F27-F77 HydrophobicContact CD1-CD2 3.97Å; F27-F77 HydrophobicContact CD1-CE2 4.35Å; F27-F77 HydrophobicContact CD1-CG 4.01Å; F27-F77 HydrophobicContact CD2-CB 3.59Å; F27-F77 HydrophobicContact CD2-CD2 4.35Å; F27-F77 HydrophobicContact CD2-CG 4.04Å; F27-F77 HydrophobicContact CE1-CG 4.42Å; F27-F77 HydrophobicContact CE2-CB 3.99Å; F27-F77 HydrophobicContact CE2-CG 4.46Å; F27-F77 HydrophobicContact CG-CB 3.85Å; F27-F77 AromaticContact CG-CD2 3.71Å; F27-F77 HydrophobicContact CG-CD2 3.71Å; F27-F77 HydrophobicContact CG-CE2 4.46Å; F27-F77 AromaticContact CG-CG 3.78Å; F27-F77 HydrophobicContact CG-CG 3.78Å; F27-I260 HydrophobicContact CE1-CG2 4.1Å; F27-I260 HydrophobicContact CZ-CD1 4.24Å; F27-I260 HydrophobicContact CZ-CG2 4.27Å
28T91.8Very high85.9Confident21 Ų2160.7 Ų60.713%0.12931%0.305CS..Hα-helixtrans-68-37.4-179.654.20000112.4A2 M5 L24 E25 I26 L31 Q32A2-T28 HydrophobicContact CB-CG2 3.67Å; M5-T28 HydrophobicContact SD-CG2 4.39Å; L24-T28 VanDerWaalsContact O-CB 3.32Å; L24-T28 WeakPolarHBondContact O-CB 3.25Å; L24-T28 WeakPolarHBondContact O-CG2 3.42Å; L24-T28 PolarHBondContact O-N 2.88Å; L24-T28 PolarHBondContact O-OG1 3Å; E25-T28 PolarHBondContact O-N 2.84Å; E25-T28 PolarHBondContact O-OG1 3.41Å; E25-T28 VanDerWaalsContact O-OG1 3.09Å; I26-T28 PolarHBondContact O-N 2.92Å; T28-L31 PolarHBondContact O-N 2.91Å; T28-Q32 WeakPolarHBondContact O-CB 3.5Å; T28-Q32 VanDerWaalsContact O-CG 3.3Å; T28-Q32 WeakPolarHBondContact O-CG 3.22Å; T28-Q32 PolarHBondContact O-N 3.21Å
29R90.5Very high84.5Confident160 Ų16053.7 Ų53.760%0.60429%0.286SS*.Hα-helixtrans-65.1-42171.7-72179.6-164.2177.69.8112E25 I26 F27 Q32 S33E25-R29 WeakPolarHBondContact O-CB 3.43Å; E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.21Å; E25-R29 PolarHBondContact O-N 3.22Å; E25-R29 IonicContact OE2-NH2 2.83Å; I26-R29 PolarHBondContact O-N 3.17Å; F27-R29 PolarHBondContact O-N 3.14Å; R29-Q32 PolarHBondContact O-N 2.61Å; R29-S33 WeakPolarHBondContact O-CB 3.28Å; R29-S33 PolarHBondContact O-N 3.26Å
30Q90.1Very high82.8Confident70 Ų7057.9 Ų57.933%0.32730%0.3SS..Hα-helixtrans-61.2-46.8175.5-78.1-179.8-1100111.2I26 F27 Q32 S33 L34I26-Q30 HydrophobicContact CG2-CG 4.38Å; I26-Q30 WeakPolarHBondContact O-CB 3.24Å; I26-Q30 WeakPolarHBondContact O-CG 3.2Å; I26-Q30 PolarHBondContact O-N 2.99Å; F27-Q30 PolarHBondContact O-N 3.49Å; Q30-Q32 PolarHBondContact O-N 3.33Å; Q30-S33 PolarHBondContact O-N 3.27Å; Q30-L34 WeakPolarHBondContact O-CB 3.04Å; Q30-L34 VanDerWaalsContact O-CG 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.34Å; Q30-L34 PolarHBondContact O-N 3.2Å
31L89.6Confident81Confident5 Ų558.3 Ų58.33%0.02630%0.304CS..Hα-helixtrans-60-46.9175.3-70.6-172.7000111.6M1 F27 T28 S33 L34 F35 L70 L129M1-L31 HydrophobicContact CE-CD1 3.68Å; M1-L31 HydrophobicContact SD-CD1 3.69Å; F27-L31 HydrophobicContact CD1-CD1 4.28Å; F27-L31 HydrophobicContact CD2-CG 4.26Å; F27-L31 HydrophobicContact CE1-CD1 3.74Å; F27-L31 HydrophobicContact CE1-CG 4.48Å; F27-L31 HydrophobicContact CE2-CD1 3.99Å; F27-L31 HydrophobicContact CE2-CD2 4.05Å; F27-L31 HydrophobicContact CE2-CG 3.94Å; F27-L31 HydrophobicContact CZ-CD1 3.59Å; F27-L31 HydrophobicContact CZ-CD2 4.33Å; F27-L31 HydrophobicContact CZ-CG 4.07Å; F27-L31 WeakPolarHBondContact O-CG 3.35Å; F27-L31 PolarHBondContact O-N 3.23Å; T28-L31 PolarHBondContact O-N 2.91Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.31Å; L31-L34 PolarHBondContact O-N 3.48Å; L31-F35 HydrophobicContact CB-CD2 4.33Å; L31-F35 HydrophobicContact CB-CE2 4.22Å; L31-F35 HydrophobicContact CD2-CE2 4.49Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 PolarHBondContact O-N 2.67Å; L31-L70 HydrophobicContact CD2-CD2 3.91Å; L31-L129 HydrophobicContact CD2-CD2 3.62Å
32Q87.7Confident79Confident133 Ų13362.3 Ų62.362%0.62133%0.332SS*.Hα-helixtrans-57.1-46.5176.3-78174.9-18.400112.2T28 R29 Q30 F35 A36T28-Q32 WeakPolarHBondContact O-CB 3.5Å; T28-Q32 VanDerWaalsContact O-CG 3.3Å; T28-Q32 WeakPolarHBondContact O-CG 3.22Å; T28-Q32 PolarHBondContact O-N 3.21Å; R29-Q32 PolarHBondContact O-N 2.61Å; Q30-Q32 PolarHBondContact O-N 3.33Å; Q32-F35 PolarHBondContact O-N 2.87Å; Q32-A36 WeakPolarHBondContact O-CB 3.42Å; Q32-A36 PolarHBondContact O-N 3.1Å
33S85.2Confident77.1Confident67 Ų6761.6 Ų61.647%0.46933%0.327SS..Hα-helixtrans-61.7-44.6176.9179.80000111.9R29 Q30 L31 F35 A36 T37R29-S33 WeakPolarHBondContact O-CB 3.28Å; R29-S33 PolarHBondContact O-N 3.26Å; Q30-S33 PolarHBondContact O-N 3.27Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.31Å; S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.06Å; S33-A36 PolarHBondContact O-N 3.39Å; S33-T37 WeakPolarHBondContact O-CB 3.48Å; S33-T37 WeakPolarHBondContact O-CG2 3.45Å; S33-T37 PolarHBondContact O-N 3.35Å; S33-T37 PolarHBondContact O-OG1 3.39Å
34L84.5Confident74.7Confident31 Ų3165.6 Ų65.616%0.16236%0.355CS..Hα-helixtrans-66.2-34178.4-70.4171.9000112.6Q30 L31 T37 R38 K69 L70 A73Q30-L34 WeakPolarHBondContact O-CB 3.04Å; Q30-L34 VanDerWaalsContact O-CG 3.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.34Å; Q30-L34 PolarHBondContact O-N 3.2Å; L31-L34 PolarHBondContact O-N 3.48Å; L34-T37 PolarHBondContact O-OG1 3.29Å; L34-R38 WeakPolarHBondContact O-CB 3.32Å; L34-K69 HydrophobicContact CD1-CB 4.46Å; L34-K69 HydrophobicContact CD2-CB 3.78Å; L34-K69 HydrophobicContact CD2-CD 4.27Å; L34-L70 HydrophobicContact CB-CD2 3.83Å; L34-L70 HydrophobicContact CB-CG 4.39Å; L34-L70 HydrophobicContact CD1-CD2 3.74Å; L34-L70 HydrophobicContact CD1-CG 4.15Å; L34-L70 HydrophobicContact CG-CD2 4.43Å; L34-A73 HydrophobicContact CD1-CB 4.04Å
35F81.4Confident72.4Confident44 Ų4468.5 Ų68.519%0.19337%0.369CS..Hα-helixtrans-76.7-34.8172.9-72.1-60.5000112.6L31 Q32 S33 S39 L70 L129 A133 L250L31-F35 HydrophobicContact CB-CD2 4.33Å; L31-F35 HydrophobicContact CB-CE2 4.22Å; L31-F35 HydrophobicContact CD2-CE2 4.49Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 PolarHBondContact O-N 2.67Å; Q32-F35 PolarHBondContact O-N 2.87Å; S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.06Å; F35-S39 PolarHBondContact O-N 2.84Å; F35-L70 HydrophobicContact CZ-CD2 4.31Å; F35-L129 HydrophobicContact CZ-CD1 3.91Å; F35-L129 HydrophobicContact CZ-CG 4.47Å; F35-A133 HydrophobicContact CE1-CB 3.83Å; F35-L250 HydrophobicContact CE1-CD1 3.95Å; F35-L250 HydrophobicContact CE1-CD2 4.44Å; F35-L250 HydrophobicContact CE2-CD1 4.24Å; F35-L250 HydrophobicContact CZ-CD1 3.51Å; F35-L250 HydrophobicContact CZ-CD2 4.46Å
36A74.6Confident69.8Low47 Ų4773.3 Ų73.339%0.38839%0.389SS..Hα-helixtrans-72.3-50.3-179.500000112.4Q32 S33 R38 S39 H40Q32-A36 WeakPolarHBondContact O-CB 3.42Å; Q32-A36 PolarHBondContact O-N 3.1Å; S33-A36 PolarHBondContact O-N 3.39Å; A36-R38 PolarHBondContact O-N 2.64Å; A36-S39 WeakPolarHBondContact O-CB 3.26Å; A36-S39 PolarHBondContact O-N 3.22Å; A36-S39 PolarHBondContact O-OG 2.94Å; A36-H40 PolarHBondContact O-CD2 3.44Å; A36-H40 VanDerWaalsContact O-CD2 3.23Å; A36-H40 PolarHBondContact O-N 2.67Å
37T65.9Low66.9Low84 Ų8474.2 Ų74.252%0.51540%0.401SS..Hα-helixtrans-53.6-40.1174.148.10000111.3S33 L34 S39 H40 A41S33-T37 WeakPolarHBondContact O-CB 3.48Å; S33-T37 WeakPolarHBondContact O-CG2 3.45Å; S33-T37 PolarHBondContact O-N 3.35Å; S33-T37 PolarHBondContact O-OG1 3.39Å; L34-T37 PolarHBondContact O-OG1 3.29Å; T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 3.44Å; T37-H40 PolarHBondContact O-N 3.5Å; T37-A41 PolarHBondContact O-N 2.88Å
38R63.2Low64.1Low14 Ų1482.5 Ų82.55%0.05343%0.432CS..Hα-helixtrans-71.6-24.6178-162.9169-167.4165.8-2.8114.4L34 A36 H40 N67 L70 Q137 R140L34-R38 WeakPolarHBondContact O-CB 3.32Å; A36-R38 PolarHBondContact O-N 2.64Å; R38-H40 PolarHBondContact O-N 2.91Å; R38-N67 PolarHBondContact NH1-OD1 2.99Å; R38-N67 PolarHBondContact NH2-OD1 2.96Å; R38-L70 VanDerWaalsContact NH1-CD1 3.32Å; R38-Q137 HydrophobicContact CG-CG 3.91Å; R38-R140 PolarHBondContact O-NH1 2.91Å
39S57.3Low61.2Low52 Ų5290.2 Ų90.236%0.36447%0.467SS..Hα-helixtrans-71.3-15.5171.877.50000113F35 A36 T37 R140F35-S39 PolarHBondContact O-N 2.84Å; A36-S39 WeakPolarHBondContact O-CB 3.26Å; A36-S39 PolarHBondContact O-N 3.22Å; A36-S39 PolarHBondContact O-OG 2.94Å; T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 3.44Å; S39-R140 PolarHBondContact O-NE 3.1Å; S39-R140 PolarHBondContact O-NH1 3.48Å; S39-R140 PolarHBondContact O-NH2 2.98Å
40H50.2Low58.4Low153 Ų15384.8 Ų84.871%0.70846%0.46SS*.SBendtrans-105.5-6.3177.8-63.7-65.6000113.9A36 T37 R38A36-H40 PolarHBondContact O-CD2 3.44Å; A36-H40 VanDerWaalsContact O-CD2 3.23Å; A36-H40 PolarHBondContact O-N 2.67Å; T37-H40 PolarHBondContact O-N 3.5Å; R38-H40 PolarHBondContact O-N 2.91Å
41A51.1Low56Low10 Ų1088.5 Ų88.58%0.08349%0.488CS..  trans-60.9127.1179.100000110.3T37 V43 E62 R140T37-A41 PolarHBondContact O-N 2.88Å; A41-V43 PolarHBondContact O-N 3.36Å; A41-E62 HydrophobicContact CB-CG 4.3Å; A41-E62 WeakPolarHBondContact CB-OE1 3.48Å; A41-R140 PolarHBondContact O-NH1 3.38Å; A41-R140 VanDerWaalsContact O-NH1 3.09Å
42P46.3Very low53.5Low119 Ų11993.5 Ų93.577%0.77352%0.523SS*.  trans-70.8122.3178.127.2-32000109.5T44P42-T44 PolarHBondContact O-N 3.08Å
43V50.1Low51.2Low53 Ų5393 Ų9332%0.32153%0.534SS..  trans-76.5113.1166.8-175.80000107.1A41 I45 F141A41-V43 PolarHBondContact O-N 3.36Å; V43-I45 HydrophobicContact CG1-CG1 4.31Å; V43-I45 PolarHBondContact O-N 3.03Å; V43-F141 HydrophobicContact CB-CD2 4.14Å; V43-F141 HydrophobicContact CG1-CD2 3.6Å; V43-F141 HydrophobicContact CG1-CE2 4.16Å; V43-F141 HydrophobicContact CG1-CG 4.37Å; V43-F141 HydrophobicContact CG2-CB 4.44Å; V43-F141 HydrophobicContact CG2-CD2 4.31Å
44T40Very low48.9Very low135 Ų13599 Ų9983%0.82855%0.552SS**  trans-75.8111.7176.9-37.50000109.4P42P42-T44 PolarHBondContact O-N 3.08Å
45I44.1Very low47Very low69 Ų69101.1 Ų101.135%0.35456%0.561SS.*PPolyproline II helixtrans-103.6133.1177.9-56.3166.7000108.2V43 P47 W57 F141V43-I45 HydrophobicContact CG1-CG1 4.31Å; V43-I45 PolarHBondContact O-N 3.03Å; I45-P47 WeakPolarHBondContact O-CD 3.19Å; I45-W57 HydrophobicContact CG1-CZ3 4.27Å; I45-W57 HydrophobicContact CG2-CH2 4.17Å; I45-W57 HydrophobicContact CG2-CZ3 3.68Å; I45-F141 HydrophobicContact CD1-CE2 3.71Å; I45-F141 HydrophobicContact CG1-CE2 3.95Å
46K37.1Very low44.9Very low182 Ų182106.7 Ų106.779%0.79159%0.588SS**PPolyproline II helixtrans-76.3117165-78.7-173176.4-176.80107.9
47P30.6Very low43.5Very low108 Ų108107.5 Ų107.570%0.70158%0.581SS**PPolyproline II helixtrans-62.4147.5-179.923.8-31.6000111.3I45 Q49I45-P47 WeakPolarHBondContact O-CD 3.19Å; P47-Q49 PolarHBondContact O-N 3.09Å; P47-Q49 VanDerWaalsContact O-N 3.16Å
48W34.8Very low42.3Very low176 Ų176109.8 Ų109.867%0.66759%0.59SS**  trans-56.2112.6174.5-162.289.8000110.1
49Q31.7Very low41.4Very low183 Ų183111.8 Ų111.886%0.85560%0.599SS**  trans-125.3111.3161.3-79.9-171.5-23.800107.4P47P47-Q49 PolarHBondContact O-N 3.09Å; P47-Q49 VanDerWaalsContact O-N 3.16Å
50G30.7Very low40.7Very low45 Ų45120 Ų12046%0.46462%0.622SS.*SBendtrans71.1106.615400000117.9S52G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 3.33Å
51T39.8Very low40.6Very low149 Ų149114.9 Ų114.991%0.91460%0.603SS**SBendtrans49.3713844.20000123
52S37.4Very low40.2Very low109 Ų109117.9 Ų117.976%0.76262%0.616SS**  trans-112.7119.3173-155.90000113.6G50 K54G50-S52 VanDerWaalsContact C-N 3.32Å; G50-S52 PolarHBondContact O-N 3.33Å; S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 3.45Å
53S40.2Very low40.1Very low122 Ų122117.3 Ų117.385%0.85361%0.612SS**SBendtrans-77.323.3-160.760.50000117.1
54K35.3Very low40.1Very low194 Ų194120.6 Ų120.684%0.84363%0.633SS**  trans-141.575.7176.3-78.7-175.4176.7177.60111.7S52 E56S52-K54 VanDerWaalsContact C-N 3.28Å; S52-K54 PolarHBondContact O-N 3.45Å; K54-E56 PolarHBondContact O-N 2.92Å
55Q45.3Very low40.8Very low76 Ų76115.9 Ų115.936%0.35561%0.61SS.*  trans-71.7108.4154.5-84.7-170-15.200108.7W57Q55-W57 PolarHBondContact O-N 3.29Å
56E37.9Very low41.8Very low161 Ų161113.9 Ų113.975%0.75261%0.607SS**  trans-73106.6156.4-167164.5-148.300106.7K54 N58K54-E56 PolarHBondContact O-N 2.92Å; E56-N58 PolarHBondContact O-N 3.16Å
57W44.5Very low43.3Very low63 Ų63105.6 Ų105.624%0.23957%0.571CS.*  trans-67.189.8170.8-69.297.7000107.5I45 Q55 F59 F141I45-W57 HydrophobicContact CG1-CZ3 4.27Å; I45-W57 HydrophobicContact CG2-CH2 4.17Å; I45-W57 HydrophobicContact CG2-CZ3 3.68Å; Q55-W57 PolarHBondContact O-N 3.29Å; W57-F59 VanDerWaalsContact C-N 3.27Å; W57-F59 PolarHBondContact O-N 2.85Å; W57-F141 HydrophobicContact CD2-CE1 4.17Å; W57-F141 HydrophobicContact CD2-CZ 4.03Å; W57-F141 AromaticContact CE3-CE1 3.84Å; W57-F141 HydrophobicContact CE3-CE1 3.84Å; W57-F141 HydrophobicContact CE3-CE2 4.15Å; W57-F141 AromaticContact CE3-CZ 3.34Å; W57-F141 HydrophobicContact CE3-CZ 3.34Å; W57-F141 HydrophobicContact CH2-CE1 4.45Å; W57-F141 HydrophobicContact CH2-CE2 4.36Å; W57-F141 AromaticContact CH2-CZ 3.56Å; W57-F141 HydrophobicContact CH2-CZ 3.56Å; W57-F141 HydrophobicContact CZ2-CZ 4.19Å; W57-F141 HydrophobicContact CZ3-CE1 4.02Å; W57-F141 AromaticContact CZ3-CE2 3.72Å; W57-F141 HydrophobicContact CZ3-CE2 3.72Å; W57-F141 AromaticContact CZ3-CZ 3.09Å; W57-F141 HydrophobicContact CZ3-CZ 3.09Å
58N41.6Very low45.6Very low132 Ų132102 Ų10271%0.70655%0.551SS**  trans-71.491.7169.4-76.3-40.6000107.5E56 R60E56-N58 PolarHBondContact O-N 3.16Å; N58-R60 PolarHBondContact O-N 3.3Å
59F44.5Very low48.1Very low57 Ų5798.7 Ų98.725%0.2554%0.541CS..  trans-62.993.1168.4-171.9-92.7000107.2W57 S61 Q137 Y138 F141W57-F59 VanDerWaalsContact C-N 3.27Å; W57-F59 PolarHBondContact O-N 2.85Å; F59-S61 PolarHBondContact O-N 3.07Å; F59-Q137 HydrophobicContact CE1-CB 4.43Å; F59-Q137 HydrophobicContact CE2-CB 4.31Å; F59-Q137 HydrophobicContact CZ-CB 3.56Å; F59-Y138 HydrophobicContact CB-CD2 4.4Å; F59-Y138 AromaticContact CD2-CD2 3.87Å; F59-Y138 HydrophobicContact CD2-CD2 3.87Å; F59-Y138 HydrophobicContact CE2-CD2 4.42Å; F59-Y138 HydrophobicContact CG-CD2 4.15Å; F59-F141 HydrophobicContact CE2-CB 4.4Å
60R42Very low50.8Low225 Ų22590 Ų9085%0.84950%0.5SS*.  trans-72.989.6166-163.6-175.9-85.8-139.10.4104.5N58 E62N58-R60 PolarHBondContact O-N 3.3Å; R60-E62 PolarHBondContact O-N 3.43Å
61S47.3Very low53.6Low44 Ų4492.4 Ų92.431%0.30850%0.495SS..  trans-45.7131.616155.30000106.3F59F59-S61 PolarHBondContact O-N 3.07Å
62E44.1Very low56.1Low73 Ų7390.9 Ų90.934%0.34147%0.473SS..SBendtrans-31.2136.9172.4-131.8171.8161.900110.8A41 R60 T64 Q137A41-E62 HydrophobicContact CB-CG 4.3Å; A41-E62 WeakPolarHBondContact CB-OE1 3.48Å; R60-E62 PolarHBondContact O-N 3.43Å; E62-T64 PolarHBondContact O-N 2.83Å; E62-Q137 PolarHBondContact OE2-NE2 3.14Å
63P42.4Very low58.7Low108 Ų10885.8 Ų85.870%0.70144%0.438SS*.  trans-58.2102.8-171.620.5-27.7000109.1G65P63-G65 PolarHBondContact O-N 2.78Å
64T50.4Low61.3Low122 Ų12280 Ų8075%0.74840%0.397SS*.SBendtrans44.6-35.7157.632.50000120.1E62 A68E62-T64 PolarHBondContact O-N 2.83Å; T64-A68 PolarHBondContact O-N 3.45Å
65G55Low64.1Low35 Ų3572.5 Ų72.536%0.36137%0.365SS..Hα-helixtrans-70.8-45.1-173.300000115.1P63 N67 A68 K69P63-G65 PolarHBondContact O-N 2.78Å; G65-N67 VanDerWaalsContact C-N 3.3Å; G65-N67 PolarHBondContact O-N 3.39Å; G65-A68 PolarHBondContact O-N 3.24Å; G65-A68 VanDerWaalsContact O-N 3.16Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.79Å
66G65.6Low66.4Low27 Ų2775.8 Ų75.828%0.27837%0.374SS..Hα-helixtrans-62-37.6-177.300000113.3K69 L70G66-K69 WeakPolarHBondContact O-CB 3.12Å; G66-K69 PolarHBondContact O-N 3.21Å; G66-L70 PolarHBondContact O-N 2.04Å; G66-L70 VanDerWaalsContact O-N 3.12Å
67N68.5Low69.1Low9 Ų968.5 Ų68.55%0.04834%0.34CS..Hα-helixtrans-67.7-41.5174.7-82.4-22.4000112.9R38 G65 K69 L70 R71 K130 E134R38-N67 PolarHBondContact NH1-OD1 2.99Å; R38-N67 PolarHBondContact NH2-OD1 2.96Å; G65-N67 VanDerWaalsContact C-N 3.3Å; G65-N67 PolarHBondContact O-N 3.39Å; N67-K69 VanDerWaalsContact C-N 3.28Å; N67-K69 PolarHBondContact O-N 3.13Å; N67-L70 PolarHBondContact O-N 3.2Å; N67-R71 PolarHBondContact O-N 2.84Å; N67-K130 HydrophobicContact CB-CD 3.87Å; N67-K130 HydrophobicContact CB-CG 3.79Å; N67-E134 PolarHBondContact ND2-OE1 2.76Å
68A79.1Confident71.6Confident33 Ų3365.6 Ų65.627%0.27333%0.329SS..Hα-helixtrans-63.2-37.3172.400000111T64 G65 L70 R71 R72T64-A68 PolarHBondContact O-N 3.45Å; G65-A68 PolarHBondContact O-N 3.24Å; G65-A68 VanDerWaalsContact O-N 3.16Å; A68-L70 PolarHBondContact O-N 3.42Å; A68-R71 PolarHBondContact O-N 3.04Å; A68-R72 WeakPolarHBondContact O-CB 3.42Å; A68-R72 VanDerWaalsContact O-CG 3.22Å; A68-R72 WeakPolarHBondContact O-CG 3.36Å; A68-R72 PolarHBondContact O-N 3.33Å
69K87.8Confident74.1Confident105 Ų10560.4 Ų60.446%0.45730%0.303SS..Hα-helixtrans-62.2-39.6176.1-71.8179.8-177.6-1670112.7L34 G65 G66 N67 R72 A73L34-K69 HydrophobicContact CD1-CB 4.46Å; L34-K69 HydrophobicContact CD2-CB 3.78Å; L34-K69 HydrophobicContact CD2-CD 4.27Å; G65-K69 WeakPolarHBondContact O-CG 3.48Å; G65-K69 PolarHBondContact O-N 2.79Å; G66-K69 WeakPolarHBondContact O-CB 3.12Å; G66-K69 PolarHBondContact O-N 3.21Å; N67-K69 VanDerWaalsContact C-N 3.28Å; N67-K69 PolarHBondContact O-N 3.13Å; K69-R72 PolarHBondContact O-N 2.7Å; K69-A73 WeakPolarHBondContact O-CB 3.3Å; K69-A73 PolarHBondContact O-N 2.99Å
70L88Confident76.4Confident1 Ų158 Ų581%0.00529%0.294CS..Hα-helixtrans-62.7-48.7174.8-79.7169.2000112L31 L34 F35 R38 G66 N67 A68 R72 A73 V74 L129 A133L31-L70 HydrophobicContact CD2-CD2 3.91Å; L34-L70 HydrophobicContact CB-CD2 3.83Å; L34-L70 HydrophobicContact CB-CG 4.39Å; L34-L70 HydrophobicContact CD1-CD2 3.74Å; L34-L70 HydrophobicContact CD1-CG 4.15Å; L34-L70 HydrophobicContact CG-CD2 4.43Å; F35-L70 HydrophobicContact CZ-CD2 4.31Å; R38-L70 VanDerWaalsContact NH1-CD1 3.32Å; G66-L70 PolarHBondContact O-N 2.04Å; G66-L70 VanDerWaalsContact O-N 3.12Å; N67-L70 PolarHBondContact O-N 3.2Å; A68-L70 PolarHBondContact O-N 3.42Å; L70-R72 PolarHBondContact O-N 3.47Å; L70-A73 WeakPolarHBondContact O-CB 3.36Å; L70-A73 PolarHBondContact O-N 2.94Å; L70-V74 PolarHBondContact O-N 3.27Å; L70-L129 HydrophobicContact CD2-CD2 3.99Å; L70-L129 HydrophobicContact CD2-CG 4.47Å; L70-A133 HydrophobicContact CD1-CB 3.46Å; L70-A133 VanDerWaalsContact CD1-CB 3.46Å
71R89.6Confident78.9Confident95 Ų9547.3 Ų47.336%0.35825%0.254SS..Hα-helixtrans-58.5-49.3176177.1-177.4163.7-174.2-1.7111.2N67 A68 A73 V74 E75 T123N67-R71 PolarHBondContact O-N 2.84Å; A68-R71 PolarHBondContact O-N 3.04Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.23Å; R71-V74 PolarHBondContact O-N 3.21Å; R71-V74 VanDerWaalsContact O-N 3.15Å; R71-E75 IonicContact CZ-OE1 2.89Å; R71-E75 IonicContact NE-OE1 3.76Å; R71-E75 PolarHBondContact NE-OE1 3.5Å; R71-E75 IonicContact NE-OE2 3.68Å; R71-E75 IonicContact NH2-OE1 3.86Å; R71-E75 PolarHBondContact NH2-OE1 3.19Å; R71-E75 VanDerWaalsContact NH2-OE1 3.11Å; R71-E75 PolarHBondContact O-N 3.33Å; R71-T123 PolarHBondContact NH2-OG1 2.82Å
72R91.2Very high81.2Confident118 Ų11845.2 Ų45.245%0.44524%0.239SC..Hα-helixtrans-60.1-35.2177.3-70.6174.8-166.2173.52.4112.2A68 K69 L70 E75 R76A68-R72 WeakPolarHBondContact O-CB 3.42Å; A68-R72 VanDerWaalsContact O-CG 3.22Å; A68-R72 WeakPolarHBondContact O-CG 3.36Å; A68-R72 PolarHBondContact O-N 3.33Å; K69-R72 PolarHBondContact O-N 2.7Å; L70-R72 PolarHBondContact O-N 3.47Å; R72-E75 PolarHBondContact O-N 3.35Å; R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.24Å; R72-R76 VanDerWaalsContact O-CG 3.22Å; R72-R76 WeakPolarHBondContact O-CG 3.44Å; R72-R76 PolarHBondContact O-N 3.33Å
73A92.8Very high83.5Confident2 Ų242 Ų422%0.01723%0.225CC..Hα-helixtrans-65.5-39.117700000112L34 K69 L70 R71 F77L34-A73 HydrophobicContact CD1-CB 4.04Å; K69-A73 WeakPolarHBondContact O-CB 3.3Å; K69-A73 PolarHBondContact O-N 2.99Å; L70-A73 WeakPolarHBondContact O-CB 3.36Å; L70-A73 PolarHBondContact O-N 2.94Å; R71-A73 VanDerWaalsContact C-N 3.27Å; R71-A73 PolarHBondContact O-N 3.23Å; A73-F77 WeakPolarHBondContact O-CB 3.38Å; A73-F77 PolarHBondContact O-N 3.42Å
74V94.7Very high85.8Confident0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-66.1-49.5173.8178.60000110.4F27 L70 R71 R76 F77 F78 P122 A125 L129 I260F27-V74 HydrophobicContact CE2-CG2 4.05Å; F27-V74 HydrophobicContact CZ-CG2 4.08Å; L70-V74 PolarHBondContact O-N 3.27Å; R71-V74 PolarHBondContact O-N 3.21Å; R71-V74 VanDerWaalsContact O-N 3.15Å; V74-R76 PolarHBondContact O-N 3.1Å; V74-F77 WeakPolarHBondContact O-CB 3.35Å; V74-F77 PolarHBondContact O-N 3.24Å; V74-F77 VanDerWaalsContact O-N 3.09Å; V74-F78 HydrophobicContact CG1-CD2 3.9Å; V74-F78 HydrophobicContact CG1-CE2 3.82Å; V74-F78 WeakPolarHBondContact O-CD2 3.46Å; V74-F78 PolarHBondContact O-N 2.83Å; V74-P122 WeakPolarHBondContact CG1-O 3.44Å; V74-A125 HydrophobicContact CG1-CB 4.1Å; V74-L129 HydrophobicContact CG2-CD2 3.83Å; V74-I260 HydrophobicContact CG2-CD1 4.32Å
75E93.6Very high87.8Confident37 Ų3731.9 Ų31.917%0.17316%0.161CC..Hα-helixtrans-58.6-45.3178.5-70.4168170.900111.7R71 R72 F77 F78 S79 P122 T123R71-E75 IonicContact CZ-OE1 2.89Å; R71-E75 IonicContact NE-OE1 3.76Å; R71-E75 PolarHBondContact NE-OE1 3.5Å; R71-E75 IonicContact NE-OE2 3.68Å; R71-E75 IonicContact NH2-OE1 3.86Å; R71-E75 PolarHBondContact NH2-OE1 3.19Å; R71-E75 VanDerWaalsContact NH2-OE1 3.11Å; R71-E75 PolarHBondContact O-N 3.33Å; R72-E75 PolarHBondContact O-N 3.35Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.37Å; E75-F78 PolarHBondContact O-N 3.42Å; E75-S79 PolarHBondContact O-N 2.9Å; E75-S79 PolarHBondContact O-OG 3.34Å; E75-P122 HydrophobicContact CG-CB 4.14Å; E75-T123 PolarHBondContact OE1-OG1 3Å
76R94Very high89.5Confident144 Ų14430.6 Ų30.654%0.54315%0.145SC..Hα-helixtrans-61.8-35.8174.9-75.7179.8-170.1133.1-8113.2R72 V74 G80R72-R76 VanDerWaalsContact O-CB 3.3Å; R72-R76 WeakPolarHBondContact O-CB 3.24Å; R72-R76 VanDerWaalsContact O-CG 3.22Å; R72-R76 WeakPolarHBondContact O-CG 3.44Å; R72-R76 PolarHBondContact O-N 3.33Å; V74-R76 PolarHBondContact O-N 3.1Å; R76-G80 PolarHBondContact O-N 3.04Å
77F95.7Very high90.6Very high9 Ų929.5 Ų29.54%0.03913%0.134CC..Hα-helixtrans-63.4-47.2174.8170.9-99.2000110.8M5 H23 L24 F27 A73 V74 E75 G80 I81 I264M5-F77 HydrophobicContact CE-CE1 4.01Å; M5-F77 HydrophobicContact CE-CE2 4.28Å; M5-F77 HydrophobicContact CE-CZ 3.71Å; H23-F77 HydrophobicContact CB-CD2 4.39Å; H23-F77 HydrophobicContact CB-CE2 4.17Å; L24-F77 HydrophobicContact CD2-CE2 3.8Å; L24-F77 HydrophobicContact CD2-CZ 3.79Å; L24-F77 HydrophobicContact CG-CE2 4.47Å; F27-F77 HydrophobicContact CB-CB 4.2Å; F27-F77 HydrophobicContact CB-CD2 3.51Å; F27-F77 HydrophobicContact CB-CE2 4.22Å; F27-F77 HydrophobicContact CB-CG 4.07Å; F27-F77 HydrophobicContact CD1-CB 4.46Å; F27-F77 HydrophobicContact CD1-CD1 4.46Å; F27-F77 AromaticContact CD1-CD2 3.97Å; F27-F77 HydrophobicContact CD1-CD2 3.97Å; F27-F77 HydrophobicContact CD1-CE2 4.35Å; F27-F77 HydrophobicContact CD1-CG 4.01Å; F27-F77 HydrophobicContact CD2-CB 3.59Å; F27-F77 HydrophobicContact CD2-CD2 4.35Å; F27-F77 HydrophobicContact CD2-CG 4.04Å; F27-F77 HydrophobicContact CE1-CG 4.42Å; F27-F77 HydrophobicContact CE2-CB 3.99Å; F27-F77 HydrophobicContact CE2-CG 4.46Å; F27-F77 HydrophobicContact CG-CB 3.85Å; F27-F77 AromaticContact CG-CD2 3.71Å; F27-F77 HydrophobicContact CG-CD2 3.71Å; F27-F77 HydrophobicContact CG-CE2 4.46Å; F27-F77 AromaticContact CG-CG 3.78Å; F27-F77 HydrophobicContact CG-CG 3.78Å; A73-F77 WeakPolarHBondContact O-CB 3.38Å; A73-F77 PolarHBondContact O-N 3.42Å; V74-F77 WeakPolarHBondContact O-CB 3.35Å; V74-F77 PolarHBondContact O-N 3.24Å; V74-F77 VanDerWaalsContact O-N 3.09Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.37Å; F77-G80 WeakPolarHBondContact O-CA 3.33Å; F77-G80 PolarHBondContact O-N 3.17Å; F77-G80 VanDerWaalsContact O-N 3.08Å; F77-I81 HydrophobicContact CD2-CG2 4.29Å; F77-I81 HydrophobicContact CE1-CD1 4Å; F77-I81 HydrophobicContact CE1-CG2 4.17Å; F77-I81 HydrophobicContact CE2-CG2 3.72Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG2 3.65Å; F77-I81 PolarHBondContact O-N 2.87Å; F77-I264 HydrophobicContact CD1-CD1 4.3Å; F77-I264 HydrophobicContact CE1-CD1 3.44Å; F77-I264 VanDerWaalsContact CE1-CD1 3.44Å; F77-I264 HydrophobicContact CE1-CG1 3.91Å; F77-I264 HydrophobicContact CZ-CD1 4.09Å
78F96Very high91.6Very high2 Ų229.3 Ų29.31%0.00913%0.133CC..Hα-helixtrans-60.5-46.5175.9-84.6-85.2000112V74 E75 G80 I81 F82 F118 I121 P122 I264 A267V74-F78 HydrophobicContact CG1-CD2 3.9Å; V74-F78 HydrophobicContact CG1-CE2 3.82Å; V74-F78 WeakPolarHBondContact O-CD2 3.46Å; V74-F78 PolarHBondContact O-N 2.83Å; E75-F78 PolarHBondContact O-N 3.42Å; F78-G80 PolarHBondContact O-N 3.13Å; F78-I81 HydrophobicContact CD1-CD1 4.2Å; F78-I81 VanDerWaalsContact O-CG1 3.26Å; F78-I81 WeakPolarHBondContact O-CG1 3.45Å; F78-I81 PolarHBondContact O-N 3.49Å; F78-F82 PolarHBondContact O-N 2.76Å; F78-F82 VanDerWaalsContact O-N 3.16Å; F78-F118 HydrophobicContact CB-CD2 4.01Å; F78-F118 HydrophobicContact CB-CE2 4.29Å; F78-F118 HydrophobicContact CD1-CB 4.19Å; F78-F118 HydrophobicContact CD1-CD1 4.44Å; F78-F118 AromaticContact CD1-CD2 3.59Å; F78-F118 HydrophobicContact CD1-CD2 3.59Å; F78-F118 HydrophobicContact CD1-CE2 4.02Å; F78-F118 AromaticContact CD1-CG 3.82Å; F78-F118 HydrophobicContact CD1-CG 3.82Å; F78-F118 HydrophobicContact CE1-CG 4.38Å; F78-F118 HydrophobicContact CG-CD2 4.27Å; F78-F118 WeakPolarHBondContact O-CE2 3.26Å; F78-I121 HydrophobicContact CZ-CG2 4.1Å; F78-P122 HydrophobicContact CB-CB 3.97Å; F78-P122 HydrophobicContact CB-CG 3.76Å; F78-P122 HydrophobicContact CD1-CG 3.89Å; F78-P122 HydrophobicContact CD2-CB 3.65Å; F78-P122 HydrophobicContact CD2-CG 3.86Å; F78-P122 HydrophobicContact CE1-CG 4.42Å; F78-P122 HydrophobicContact CE2-CB 4.26Å; F78-P122 HydrophobicContact CE2-CG 4.4Å; F78-P122 HydrophobicContact CG-CB 3.83Å; F78-P122 HydrophobicContact CG-CG 3.57Å; F78-I264 HydrophobicContact CE1-CG1 4.12Å; F78-I264 HydrophobicContact CE2-CG1 4.22Å; F78-I264 HydrophobicContact CZ-CB 4.43Å; F78-I264 HydrophobicContact CZ-CG1 3.62Å; F78-A267 HydrophobicContact CE1-CB 3.77Å
79S94.2Very high92Very high22 Ų2229 Ų2915%0.15413%0.127CC..Hα-helixtrans-57.9-38.2172.8-57.50000111.9E75 F82 P83 R109E75-S79 PolarHBondContact O-N 2.9Å; E75-S79 PolarHBondContact O-OG 3.34Å; S79-F82 PolarHBondContact O-N 2.99Å; S79-P83 WeakPolarHBondContact O-CD 3.25Å; S79-R109 WeakPolarHBondContact O-CG 3.39Å
80G93.2Very high92.1Very high7 Ų725.4 Ų25.47%0.07211%0.112CC..Hα-helixtrans-66.1-37.1178.800000114.4H23 R76 F77 F78 P83H23-G80 PolarHBondContact CE1-O 2.73Å; H23-G80 PolarHBondContact ND1-O 2.98Å; H23-G80 PolarHBondContact NE2-O 3.26Å; R76-G80 PolarHBondContact O-N 3.04Å; F77-G80 WeakPolarHBondContact O-CA 3.33Å; F77-G80 PolarHBondContact O-N 3.17Å; F77-G80 VanDerWaalsContact O-N 3.08Å; F78-G80 PolarHBondContact O-N 3.13Å; G80-P83 WeakPolarHBondContact O-CD 3.48Å
81I94.2Very high91.9Very high0 Ų027.4 Ų27.40%012%0.123CC..Hα-helixtrans-84.4-10.9178.465.5169.1000113.3I20 H23 F77 F78 P84 V85 F118 I264 I268I20-I81 HydrophobicContact CD1-CB 4.28Å; I20-I81 HydrophobicContact CD1-CG2 4.27Å; I20-I81 HydrophobicContact CG1-CG2 4.26Å; I20-I81 HydrophobicContact CG2-CG2 4.14Å; H23-I81 HydrophobicContact CB-CG2 4.12Å; F77-I81 HydrophobicContact CD2-CG2 4.29Å; F77-I81 HydrophobicContact CE1-CD1 4Å; F77-I81 HydrophobicContact CE1-CG2 4.17Å; F77-I81 HydrophobicContact CE2-CG2 3.72Å; F77-I81 HydrophobicContact CZ-CD1 4.38Å; F77-I81 HydrophobicContact CZ-CG2 3.65Å; F77-I81 PolarHBondContact O-N 2.87Å; F78-I81 HydrophobicContact CD1-CD1 4.2Å; F78-I81 VanDerWaalsContact O-CG1 3.26Å; F78-I81 WeakPolarHBondContact O-CG1 3.45Å; F78-I81 PolarHBondContact O-N 3.49Å; I81-P84 WeakPolarHBondContact O-CD 3.34Å; I81-P84 VanDerWaalsContact O-CG 3.22Å; I81-P84 WeakPolarHBondContact O-CG 3.09Å; I81-V85 WeakPolarHBondContact O-CB 3.38Å; I81-V85 WeakPolarHBondContact O-CG2 3.16Å; I81-V85 PolarHBondContact O-N 3.46Å; I81-V85 VanDerWaalsContact O-N 3.13Å; I81-F118 HydrophobicContact CD1-CZ 4.35Å; I81-F118 HydrophobicContact CG1-CE2 4.32Å; I81-F118 HydrophobicContact CG1-CZ 4.18Å; I81-I264 HydrophobicContact CD1-CG2 4.33Å; I81-I268 HydrophobicContact CD1-CD1 4.44Å
82F94.7Very high91.4Very high0 Ų026 Ų260%013%0.131CC..Hα-helixtrans-60.8-44.9-178.3-178.8-140.8000114.1F78 S79 V85 Y86 I90 V108 A112 P117 F118 I279 L283F78-F82 PolarHBondContact O-N 2.76Å; F78-F82 VanDerWaalsContact O-N 3.16Å; S79-F82 PolarHBondContact O-N 2.99Å; F82-V85 PolarHBondContact O-N 2.93Å; F82-Y86 WeakPolarHBondContact O-CB 3.39Å; F82-Y86 PolarHBondContact O-N 3.18Å; F82-I90 HydrophobicContact CE2-CD1 4.37Å; F82-V108 HydrophobicContact CD1-CG1 3.44Å; F82-V108 VanDerWaalsContact CD1-CG1 3.44Å; F82-V108 VanDerWaalsContact CD1-O 3.3Å; F82-V108 WeakPolarHBondContact CD1-O 3.01Å; F82-V108 HydrophobicContact CE1-CG1 3.52Å; F82-V108 HydrophobicContact CG-CG1 4.11Å; F82-V108 HydrophobicContact CZ-CG1 4.22Å; F82-A112 HydrophobicContact CD1-CB 3.81Å; F82-P117 HydrophobicContact CB-CG 4.41Å; F82-P117 HydrophobicContact CD1-CG 3.83Å; F82-P117 HydrophobicContact CD2-CB 3.65Å; F82-P117 HydrophobicContact CD2-CG 3.53Å; F82-P117 HydrophobicContact CE1-CB 4.25Å; F82-P117 HydrophobicContact CE1-CG 3.89Å; F82-P117 HydrophobicContact CE2-CB 3.3Å; F82-P117 HydrophobicContact CE2-CG 3.62Å; F82-P117 HydrophobicContact CG-CB 4.29Å; F82-P117 HydrophobicContact CG-CG 3.66Å; F82-P117 HydrophobicContact CZ-CB 3.64Å; F82-P117 HydrophobicContact CZ-CG 3.8Å; F82-F118 HydrophobicContact CB-CE2 3.95Å; F82-F118 HydrophobicContact CB-CZ 4.25Å; F82-F118 HydrophobicContact CD2-CE2 4.41Å; F82-F118 HydrophobicContact CD2-CZ 4.25Å; F82-F118 HydrophobicContact CG-CE2 4.47Å; F82-I279 HydrophobicContact CE2-CG2 3.96Å; F82-I279 HydrophobicContact CZ-CG2 3.68Å; F82-L283 HydrophobicContact CE1-CD1 4.35Å
83P92.4Very high90.5Very high5 Ų521.4 Ų21.43%0.03212%0.116CC..Hα-helixtrans-56.1-49.8177.7-21.829.7000115.2S79 G80 Y86 A87 L100 V108 R109S79-P83 WeakPolarHBondContact O-CD 3.25Å; G80-P83 WeakPolarHBondContact O-CD 3.48Å; P83-Y86 PolarHBondContact O-N 3.36Å; P83-A87 WeakPolarHBondContact O-CB 3.21Å; P83-A87 PolarHBondContact O-N 3.4Å; P83-L100 HydrophobicContact CB-CD1 3.85Å; P83-V108 HydrophobicContact CB-CG1 4.31Å; P83-V108 HydrophobicContact CG-CB 4.28Å; P83-V108 HydrophobicContact CG-CG1 4.11Å; P83-R109 HydrophobicContact CG-CG 3.38Å
84P91Very high89.4Confident18 Ų1822.8 Ų22.812%0.11713%0.125CC..Hα-helixtrans-67-35.5175.423.3-31.3000112.7I16 P19 I20 I81 C88I16-P84 HydrophobicContact CG2-CB 4.15Å; I16-P84 WeakPolarHBondContact CG2-O 3.44Å; P19-P84 HydrophobicContact CB-CB 4.08Å; I20-P84 HydrophobicContact CD1-CG 4.4Å; I20-P84 HydrophobicContact CG1-CB 4.44Å; I20-P84 HydrophobicContact CG1-CG 3.94Å; I81-P84 WeakPolarHBondContact O-CD 3.34Å; I81-P84 VanDerWaalsContact O-CG 3.22Å; I81-P84 WeakPolarHBondContact O-CG 3.09Å; P84-C88 WeakPolarHBondContact O-CB 3.08Å; P84-C88 PolarHBondContact O-N 2.89Å; P84-C88 PolarHBondContact O-SG 3.36Å; P84-C88 VanDerWaalsContact O-SG 3.41Å
85V92.3Very high87.7Confident0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-61.1-47173.81700000110.5I16 I81 F82 I89 I90 F118 I268 A272I16-V85 HydrophobicContact CD1-CG2 3.96Å; I81-V85 WeakPolarHBondContact O-CB 3.38Å; I81-V85 WeakPolarHBondContact O-CG2 3.16Å; I81-V85 PolarHBondContact O-N 3.46Å; I81-V85 VanDerWaalsContact O-N 3.13Å; F82-V85 PolarHBondContact O-N 2.93Å; V85-I89 HydrophobicContact CG1-CB 4.34Å; V85-I89 HydrophobicContact CG1-CD1 4.46Å; V85-I89 HydrophobicContact CG2-CD1 4.47Å; V85-I89 WeakPolarHBondContact O-CA 3.01Å; V85-I89 WeakPolarHBondContact O-CB 3.36Å; V85-I89 PolarHBondContact O-N 2.91Å; V85-I90 PolarHBondContact O-N 2.83Å; V85-I90 VanDerWaalsContact O-N 3.08Å; V85-F118 HydrophobicContact CB-CZ 4.42Å; V85-F118 HydrophobicContact CG1-CE1 4.19Å; V85-F118 HydrophobicContact CG1-CZ 4.34Å; V85-F118 HydrophobicContact CG2-CZ 4.31Å; V85-I268 HydrophobicContact CG1-CG2 4.44Å; V85-I268 HydrophobicContact CG2-CD1 4.06Å; V85-I268 HydrophobicContact CG2-CG1 4.16Å; V85-A272 HydrophobicContact CG1-CB 4.15Å
86Y91.2Very high86Confident8 Ų834.8 Ų34.83%0.03118%0.184CC..Iπ-helixtrans-62.4-49.7179177.3-111.1000112.2F82 P83 I90 N91 L100 Y104 I279 S280 L283 F290F82-Y86 WeakPolarHBondContact O-CB 3.39Å; F82-Y86 PolarHBondContact O-N 3.18Å; P83-Y86 PolarHBondContact O-N 3.36Å; Y86-I90 HydrophobicContact CD2-CB 4.08Å; Y86-I90 HydrophobicContact CD2-CD1 4.11Å; Y86-I90 HydrophobicContact CD2-CG2 4.07Å; Y86-I90 HydrophobicContact CE2-CG2 4.23Å; Y86-I90 PolarHBondContact O-N 3.02Å; Y86-N91 WeakPolarHBondContact CE1-ND2 3.39Å; Y86-N91 PolarHBondContact O-N 3.21Å; Y86-N91 PolarHBondContact OH-ND2 2.93Å; Y86-L100 HydrophobicContact CD1-CD1 4.42Å; Y86-Y104 HydrophobicContact CE1-CE1 4.25Å; Y86-I279 HydrophobicContact CD2-CG2 4.25Å; Y86-S280 WeakPolarHBondContact CE2-OG 3.07Å; Y86-L283 HydrophobicContact CD1-CD2 3.58Å; Y86-L283 HydrophobicContact CD2-CD2 4.03Å; Y86-L283 HydrophobicContact CE1-CD2 3.22Å; Y86-L283 HydrophobicContact CE2-CD2 3.74Å; Y86-L283 HydrophobicContact CG-CD2 3.96Å; Y86-F290 HydrophobicContact CD1-CE2 4.13Å; Y86-F290 AromaticContact CE1-CD2 3.62Å; Y86-F290 HydrophobicContact CE1-CD2 3.62Å; Y86-F290 AromaticContact CE1-CE2 3.62Å; Y86-F290 HydrophobicContact CE1-CE2 3.62Å
87A89Confident84.1Confident5 Ų529.1 Ų29.14%0.04117%0.17CC..Iπ-helixtrans-67.4-41.2-17800000113.3P83 D93 L100P83-A87 WeakPolarHBondContact O-CB 3.21Å; P83-A87 PolarHBondContact O-N 3.4Å; A87-D93 PolarHBondContact O-N 2.61Å; A87-L100 HydrophobicContact CB-CD1 4.33Å; A87-L100 HydrophobicContact CB-CG 4.06Å
88C88.5Confident82.4Confident5 Ų533.2 Ų33.23%0.03419%0.186CC..Iπ-helixtrans-100.7-27.2-169.9-56.90000114.7Q15 I16 P84 C94Q15-C88 HydrophobicContact CB-CB 4.47Å; Q15-C88 HydrophobicContact CG-CB 4.08Å; Q15-C88 PolarHBondContact NE2-O 3.03Å; I16-C88 HydrophobicContact CG2-CB 3.3Å; I16-C88 VanDerWaalsContact CG2-SG 3.57Å; P84-C88 WeakPolarHBondContact O-CB 3.08Å; P84-C88 PolarHBondContact O-N 2.89Å; P84-C88 PolarHBondContact O-SG 3.36Å; P84-C88 VanDerWaalsContact O-SG 3.41Å; C88-C94 WeakPolarHBondContact CA-SG 3.22Å; C88-C94 HydrophobicContact CB-CB 3.48Å; C88-C94 VanDerWaalsContact CB-CB 3.48Å; C88-C94 WeakPolarHBondContact CB-SG 3.27Å; C88-C94 WeakPolarHBondContact SG-CB 3.47Å; C88-C94 CovalentContact SG-SG 2Å; C88-C94 PolarHBondContact SG-SG 3.42Å
89I88.6Confident81.2Confident25 Ų2537.2 Ų37.213%0.12820%0.203CC..Iπ-helixtrans-104.4-52.8-176.4-58.2-171.9000110F13 Q15 I16 V85 I268 V273F13-I89 HydrophobicContact CB-CD1 4.32Å; F13-I89 HydrophobicContact CD1-CD1 3.72Å; F13-I89 HydrophobicContact CE1-CD1 4.37Å; F13-I89 HydrophobicContact CG-CD1 4.22Å; Q15-I89 HydrophobicContact CG-CG1 4.31Å; I16-I89 HydrophobicContact CD1-CD1 3.33Å; I16-I89 HydrophobicContact CD1-CG1 4.19Å; I16-I89 HydrophobicContact CG1-CD1 4.13Å; I16-I89 HydrophobicContact CG2-CG1 4.27Å; V85-I89 HydrophobicContact CG1-CB 4.34Å; V85-I89 HydrophobicContact CG1-CD1 4.46Å; V85-I89 HydrophobicContact CG2-CD1 4.47Å; V85-I89 WeakPolarHBondContact O-CA 3.01Å; V85-I89 WeakPolarHBondContact O-CB 3.36Å; V85-I89 PolarHBondContact O-N 2.91Å; I89-I268 HydrophobicContact CD1-CG2 3.4Å; I89-I268 VanDerWaalsContact CD1-CG2 3.4Å; I89-I268 HydrophobicContact CG2-CG2 4.37Å; I89-V273 HydrophobicContact CG2-CG2 3.47Å; I89-V273 VanDerWaalsContact CG2-CG2 3.47Å
90I88.3Confident80.4Confident30 Ų3036.7 Ų36.715%0.15420%0.199CC..Iπ-helixtrans-73.4-49.8-176.4-62.3175.3000111.2F82 V85 Y86 A272 I279F82-I90 HydrophobicContact CE2-CD1 4.37Å; V85-I90 PolarHBondContact O-N 2.83Å; V85-I90 VanDerWaalsContact O-N 3.08Å; Y86-I90 HydrophobicContact CD2-CB 4.08Å; Y86-I90 HydrophobicContact CD2-CD1 4.11Å; Y86-I90 HydrophobicContact CD2-CG2 4.07Å; Y86-I90 HydrophobicContact CE2-CG2 4.23Å; Y86-I90 PolarHBondContact O-N 3.02Å; I90-A272 HydrophobicContact CD1-CB 4.32Å; I90-I279 HydrophobicContact CD1-CB 4.46Å; I90-I279 HydrophobicContact CD1-CD1 3.91Å; I90-I279 HydrophobicContact CD1-CG2 4.03Å
91N84.3Confident79.9Confident44 Ų4437.6 Ų37.624%0.23520%0.202CC..SBendtrans-90.4-7.6-179.7-72.6-12.7000114.2Y86 D93 S280 F290Y86-N91 WeakPolarHBondContact CE1-ND2 3.39Å; Y86-N91 PolarHBondContact O-N 3.21Å; Y86-N91 PolarHBondContact OH-ND2 2.93Å; N91-D93 PolarHBondContact O-N 2.89Å; N91-D93 VanDerWaalsContact O-N 3.09Å; N91-S280 PolarHBondContact OD1-OG 2.86Å; N91-F290 WeakPolarHBondContact ND2-CD2 3.22Å; N91-F290 VanDerWaalsContact ND2-CE2 3.28Å; N91-F290 WeakPolarHBondContact ND2-CE2 3.45Å
92A79.8Confident79.5Confident64 Ų6440.9 Ų40.953%0.52923%0.229SC..  trans51.430-179.300000115.1P95A92-P95 WeakPolarHBondContact O-CD 3.35Å
93D72.8Confident79.2Confident23 Ų2347.5 Ų47.512%0.12326%0.264CS..  trans-91.8-8.9-173.4-85.2-44.2000114.2A87 N91 P95 R96 F290A87-D93 PolarHBondContact O-N 2.61Å; N91-D93 PolarHBondContact O-N 2.89Å; N91-D93 VanDerWaalsContact O-N 3.09Å; D93-P95 VanDerWaalsContact C-CD 3.42Å; D93-R96 WeakPolarHBondContact O-CB 3.44Å; D93-R96 PolarHBondContact O-N 3.16Å; D93-R96 VanDerWaalsContact O-N 3.08Å; D93-R96 IonicContact OD1-CZ 3.65Å; D93-R96 IonicContact OD1-NH1 2.76Å; D93-R96 PolarHBondContact OD1-NH1 3.28Å; D93-F290 HydrophobicContact CB-CE1 4.44Å; D93-F290 HydrophobicContact CB-CZ 4.44Å; D93-F290 VanDerWaalsContact OD2-CE1 3.22Å; D93-F290 WeakPolarHBondContact OD2-CE1 3.27Å
94C68.9Low79Confident30 Ų3047.8 Ų47.820%0.20327%0.265CS..G310 helixtrans-66.7-29.1-177.8-72.10000116.7C88 R96 G97C88-C94 WeakPolarHBondContact CA-SG 3.22Å; C88-C94 HydrophobicContact CB-CB 3.48Å; C88-C94 VanDerWaalsContact CB-CB 3.48Å; C88-C94 WeakPolarHBondContact CB-SG 3.27Å; C88-C94 WeakPolarHBondContact SG-CB 3.47Å; C88-C94 CovalentContact SG-SG 2Å; C88-C94 PolarHBondContact SG-SG 3.42Å; C94-R96 PolarHBondContact O-N 3.25Å; C94-R96 VanDerWaalsContact O-N 3.07Å; C94-G97 PolarHBondContact O-N 3.22Å
95P58.2Low79Confident118 Ų11848.2 Ų48.277%0.76627%0.269SS*.G310 helixtrans-56.5-23.6169.8-23.934.1000113.1A92 D93 G97A92-P95 WeakPolarHBondContact O-CD 3.35Å; D93-P95 VanDerWaalsContact C-CD 3.42Å; P95-G97 VanDerWaalsContact C-N 3.29Å
96R58.3Low78.9Confident172 Ų17254 Ų5465%0.64929%0.294SS*.G310 helixtrans-85.91.7178.4-55.6178177.5160.1-10.1113.3D93 C94 Y98D93-R96 WeakPolarHBondContact O-CB 3.44Å; D93-R96 PolarHBondContact O-N 3.16Å; D93-R96 VanDerWaalsContact O-N 3.08Å; D93-R96 IonicContact OD1-CZ 3.65Å; D93-R96 IonicContact OD1-NH1 2.76Å; D93-R96 PolarHBondContact OD1-NH1 3.28Å; C94-R96 PolarHBondContact O-N 3.25Å; C94-R96 VanDerWaalsContact O-N 3.07Å; R96-Y98 VanDerWaalsContact C-N 3.3Å; R96-Y98 HydrophobicContact CB-CD2 3.35Å; R96-Y98 HydrophobicContact CB-CE2 3.37Å; R96-Y98 HydrophobicContact CB-CG 4.38Å; R96-Y98 HydrophobicContact CG-CD2 4.3Å; R96-Y98 HydrophobicContact CG-CE2 4.16Å; R96-Y98 PolarHBondContact O-N 3.24Å
97G55.3Low79.1Confident25 Ų2555.4 Ų55.426%0.25830%0.304SS..THydrogen-bonded Turntrans67.131.5-177.900000112.8C94 P95 L295C94-G97 PolarHBondContact O-N 3.22Å; P95-G97 VanDerWaalsContact C-N 3.29Å; G97-L295 WeakPolarHBondContact O-CB 3.47Å; G97-L295 PolarHBondContact O-N 3Å
98Y59Low79.3Confident95 Ų9555.1 Ų55.137%0.37330%0.302SS..EExtended strand (participates in β ladder)trans-92.1126174.7-70.2-57.1000110.8R96 T292R96-Y98 VanDerWaalsContact C-N 3.3Å; R96-Y98 HydrophobicContact CB-CD2 3.35Å; R96-Y98 HydrophobicContact CB-CE2 3.37Å; R96-Y98 HydrophobicContact CB-CG 4.38Å; R96-Y98 HydrophobicContact CG-CD2 4.3Å; R96-Y98 HydrophobicContact CG-CE2 4.16Å; R96-Y98 PolarHBondContact O-N 3.24Å; Y98-T292 HydrophobicContact CD1-CG2 4.31Å; Y98-T292 WeakPolarHBondContact CD1-OG1 3.49Å; Y98-T292 HydrophobicContact CG-CG2 4.03Å
99K69.9Low79.5Confident86 Ų8659.7 Ų59.737%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-106.9140167.8-170.7178.8177.5176.20107.7N101 T292 E293 W298K99-N101 PolarHBondContact O-N 3.3Å; K99-T292 WeakPolarHBondContact O-CA 3.45Å; K99-E293 PolarHBondContact N-O 2.71Å; K99-E293 PolarHBondContact O-N 2.82Å; K99-W298 HydrophobicContact CD-CD2 4.49Å; K99-W298 VanDerWaalsContact NZ-CE2 3.32Å
100L77.6Confident79.7Confident10 Ų1063.3 Ų63.35%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-55.2135.1168.7-68.6176.1000109.1P83 Y86 A87 Y104 V108 F290P83-L100 HydrophobicContact CB-CD1 3.85Å; Y86-L100 HydrophobicContact CD1-CD1 4.42Å; A87-L100 HydrophobicContact CB-CD1 4.33Å; A87-L100 HydrophobicContact CB-CG 4.06Å; L100-Y104 HydrophobicContact CD1-CD1 4.19Å; L100-Y104 HydrophobicContact CD2-CD1 3.51Å; L100-Y104 HydrophobicContact CD2-CE1 3.87Å; L100-Y104 HydrophobicContact CG-CD1 4.27Å; L100-V108 HydrophobicContact CD1-CG2 4.12Å; L100-F290 HydrophobicContact CD2-CD2 3.87Å; L100-F290 HydrophobicContact CD2-CE2 3.31Å; L100-F290 HydrophobicContact CD2-CZ 3.87Å; L100-F290 HydrophobicContact CG-CE2 4.5Å
101N84.1Confident80Confident27 Ų2762.3 Ų62.314%0.14433%0.334CS..  trans-59.3156.6171.975.729.1000110.1K99 N103 Y104 S105 K291 E293K99-N101 PolarHBondContact O-N 3.3Å; N101-N103 VanDerWaalsContact C-N 3.27Å; N101-N103 PolarHBondContact O-N 3.05Å; N101-N103 PolarHBondContact OD1-N 3.31Å; N101-Y104 PolarHBondContact O-N 3.17Å; N101-Y104 WeakPolarHBondContact OD1-CA 3.41Å; N101-Y104 WeakPolarHBondContact OD1-CB 3.47Å; N101-Y104 PolarHBondContact OD1-N 3Å; N101-S105 WeakPolarHBondContact O-CB 3.4Å; N101-S105 PolarHBondContact O-N 2.88Å; N101-K291 PolarHBondContact N-O 3.23Å; N101-K291 VanDerWaalsContact ND2-CB 3.26Å; N101-K291 WeakPolarHBondContact ND2-CB 3.29Å; N101-E293 HydrophobicContact CB-CG 3.75Å; N101-E293 WeakPolarHBondContact CB-OE1 3.31Å
102A84.9Confident80.4Confident69 Ų6960.5 Ų60.557%0.5733%0.326SS*.Hα-helixtrans-60.7-36.7-171.500000113.1K106A102-K106 PolarHBondContact O-N 3.46Å
103N88.2Confident80.9Confident138 Ų13863.5 Ų63.574%0.73833%0.332SS*.Hα-helixtrans-70.7-44.1-178.8-69-14000112N101 K106 C107N101-N103 VanDerWaalsContact C-N 3.27Å; N101-N103 PolarHBondContact O-N 3.05Å; N101-N103 PolarHBondContact OD1-N 3.31Å; N103-K106 WeakPolarHBondContact O-CB 2.99Å; N103-K106 PolarHBondContact O-N 3.34Å; N103-C107 PolarHBondContact O-N 2.82Å
104Y89.4Confident81.7Confident11 Ų1168.4 Ų68.44%0.04335%0.353CS..Hα-helixtrans-67.1-44.5176-163-93.7000109.5Y86 L100 N101 K106 C107 V108 L283 C287 G288 P289 F290Y86-Y104 HydrophobicContact CE1-CE1 4.25Å; L100-Y104 HydrophobicContact CD1-CD1 4.19Å; L100-Y104 HydrophobicContact CD2-CD1 3.51Å; L100-Y104 HydrophobicContact CD2-CE1 3.87Å; L100-Y104 HydrophobicContact CG-CD1 4.27Å; N101-Y104 PolarHBondContact O-N 3.17Å; N101-Y104 WeakPolarHBondContact OD1-CA 3.41Å; N101-Y104 WeakPolarHBondContact OD1-CB 3.47Å; N101-Y104 PolarHBondContact OD1-N 3Å; Y104-K106 PolarHBondContact O-N 3.32Å; Y104-C107 CarbonylContact O-C 3.52Å; Y104-C107 WeakPolarHBondContact O-CA 3.41Å; Y104-C107 WeakPolarHBondContact O-CB 3.44Å; Y104-C107 PolarHBondContact O-N 2.8Å; Y104-V108 HydrophobicContact CD1-CG2 3.57Å; Y104-V108 HydrophobicContact CE1-CG2 3.52Å; Y104-V108 HydrophobicContact CG-CG2 4.48Å; Y104-V108 VanDerWaalsContact O-CG2 3.27Å; Y104-V108 WeakPolarHBondContact O-CG2 3.45Å; Y104-V108 PolarHBondContact O-N 2.91Å; Y104-L283 HydrophobicContact CE1-CD2 4.35Å; Y104-C287 HydrophobicContact CD2-CB 4.19Å; Y104-C287 HydrophobicContact CE2-CB 3.63Å; Y104-C287 WeakPolarHBondContact CE2-O 3.44Å; Y104-G288 PolarHBondContact OH-O 3.38Å; Y104-P289 VanDerWaalsContact CE2-O 3.22Å; Y104-P289 WeakPolarHBondContact CE2-O 3.02Å; Y104-F290 HydrophobicContact CE1-CD2 4.17Å
105S89.9Confident82.8Confident28 Ų2867 Ų6720%0.19634%0.343CS..Hα-helixtrans-59.1-31.8173.8-178.80000113.1N101 R109N101-S105 WeakPolarHBondContact O-CB 3.4Å; N101-S105 PolarHBondContact O-N 2.88Å; S105-R109 WeakPolarHBondContact O-CG 3.45Å; S105-R109 PolarHBondContact O-N 3.01Å; S105-R109 PolarHBondContact O-NE 3.08Å
106K91.3Very high84.5Confident120 Ų12067.5 Ų67.552%0.52234%0.335SS..Hα-helixtrans-67.8-51170.6-172.6-176.8175.3-175.50110.5A102 N103 Y104 V108 R109 D110A102-K106 PolarHBondContact O-N 3.46Å; N103-K106 WeakPolarHBondContact O-CB 2.99Å; N103-K106 PolarHBondContact O-N 3.34Å; Y104-K106 PolarHBondContact O-N 3.32Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 PolarHBondContact O-N 3.2Å; K106-R109 WeakPolarHBondContact O-CB 3.44Å; K106-R109 PolarHBondContact O-N 3.15Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.48Å
107C94Very high86.2Confident38 Ų3859.6 Ų59.626%0.25731%0.306SS..Hα-helixtrans-54.9-45.6176.6-174.20000112.7N103 Y104 R109 D110 A111 C287N103-C107 PolarHBondContact O-N 2.82Å; Y104-C107 CarbonylContact O-C 3.52Å; Y104-C107 WeakPolarHBondContact O-CA 3.41Å; Y104-C107 WeakPolarHBondContact O-CB 3.44Å; Y104-C107 PolarHBondContact O-N 2.8Å; C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3Å; C107-D110 PolarHBondContact O-N 3.43Å; C107-D110 VanDerWaalsContact O-N 3.17Å; C107-A111 VanDerWaalsContact O-CB 3.27Å; C107-A111 WeakPolarHBondContact O-CB 3.17Å; C107-A111 PolarHBondContact O-N 3.11Å; C107-C287 HydrophobicContact CB-CB 3.95Å; C107-C287 WeakPolarHBondContact CB-SG 3.4Å; C107-C287 WeakPolarHBondContact SG-CA 3.5Å; C107-C287 WeakPolarHBondContact SG-CB 3.44Å; C107-C287 CovalentContact SG-SG 2.04Å; C107-C287 PolarHBondContact SG-SG 2.99Å
108V93.6Very high88Confident0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-59.7-39.6177.7178.80000111.8F82 P83 L100 Y104 K106 A112 L283F82-V108 HydrophobicContact CD1-CG1 3.44Å; F82-V108 VanDerWaalsContact CD1-CG1 3.44Å; F82-V108 VanDerWaalsContact CD1-O 3.3Å; F82-V108 WeakPolarHBondContact CD1-O 3.01Å; F82-V108 HydrophobicContact CE1-CG1 3.52Å; F82-V108 HydrophobicContact CG-CG1 4.11Å; F82-V108 HydrophobicContact CZ-CG1 4.22Å; P83-V108 HydrophobicContact CB-CG1 4.31Å; P83-V108 HydrophobicContact CG-CB 4.28Å; P83-V108 HydrophobicContact CG-CG1 4.11Å; L100-V108 HydrophobicContact CD1-CG2 4.12Å; Y104-V108 HydrophobicContact CD1-CG2 3.57Å; Y104-V108 HydrophobicContact CE1-CG2 3.52Å; Y104-V108 HydrophobicContact CG-CG2 4.48Å; Y104-V108 VanDerWaalsContact O-CG2 3.27Å; Y104-V108 WeakPolarHBondContact O-CG2 3.45Å; Y104-V108 PolarHBondContact O-N 2.91Å; K106-V108 VanDerWaalsContact C-N 3.32Å; K106-V108 PolarHBondContact O-N 3.2Å; V108-A112 PolarHBondContact O-N 2.98Å; V108-L283 HydrophobicContact CB-CD1 4.32Å; V108-L283 HydrophobicContact CG1-CD1 4.23Å; V108-L283 HydrophobicContact CG1-CD2 4.27Å; V108-L283 HydrophobicContact CG2-CD1 4.04Å; V108-L283 HydrophobicContact CG2-CD2 3.78Å; V108-L283 HydrophobicContact CG2-CG 4.32Å
109R93.1Very high89.6Confident100 Ų10055.8 Ų55.838%0.37729%0.294SS..Hα-helixtrans-66.2-43.3175.7-72.4-178.8-70.4168.62.6112S79 P83 S105 K106 C107 A112S79-R109 WeakPolarHBondContact O-CG 3.39Å; P83-R109 HydrophobicContact CG-CG 3.38Å; S105-R109 WeakPolarHBondContact O-CG 3.45Å; S105-R109 PolarHBondContact O-N 3.01Å; S105-R109 PolarHBondContact O-NE 3.08Å; K106-R109 WeakPolarHBondContact O-CB 3.44Å; K106-R109 PolarHBondContact O-N 3.15Å; C107-R109 VanDerWaalsContact C-N 3.3Å; C107-R109 PolarHBondContact O-N 3Å; R109-A112 WeakPolarHBondContact O-CB 3.35Å; R109-A112 PolarHBondContact O-N 3.3Å
110D93.7Very high90.6Very high102 Ų10255.8 Ų55.855%0.54530%0.298SS..Hα-helixtrans-69.2-38.7-177.8-61.3-15000110.5K106 C107 A112K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.48Å; C107-D110 PolarHBondContact O-N 3.43Å; C107-D110 VanDerWaalsContact O-N 3.17Å; D110-A112 PolarHBondContact O-N 2.72Å
111A94.1Very high91.4Very high8 Ų855.6 Ų55.67%0.06630%0.297CS..Hα-helixtrans-68.8-17175.200000113.3C107 L113 K114 I115 L283 E286C107-A111 VanDerWaalsContact O-CB 3.27Å; C107-A111 WeakPolarHBondContact O-CB 3.17Å; C107-A111 PolarHBondContact O-N 3.11Å; A111-L113 PolarHBondContact O-N 2.88Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-I115 HydrophobicContact CB-CD1 3.81Å; A111-I115 HydrophobicContact CB-CG1 4.36Å; A111-I115 WeakPolarHBondContact O-CB 3.32Å; A111-I115 WeakPolarHBondContact O-CG1 3.43Å; A111-I115 PolarHBondContact O-N 3.05Å; A111-L283 HydrophobicContact CB-CD1 3.99Å; A111-E286 HydrophobicContact CB-CB 4.19Å; A111-E286 HydrophobicContact CB-CG 4.43Å
112A93.1Very high91.9Very high7 Ų755 Ų556%0.05829%0.294CS..Hα-helixtrans-57.4-36.3-17800000112.8F82 V108 R109 D110 K114 E116 P117F82-A112 HydrophobicContact CD1-CB 3.81Å; V108-A112 PolarHBondContact O-N 2.98Å; R109-A112 WeakPolarHBondContact O-CB 3.35Å; R109-A112 PolarHBondContact O-N 3.3Å; D110-A112 PolarHBondContact O-N 2.72Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 3.42Å; A112-E116 WeakPolarHBondContact O-CA 3.41Å; A112-E116 PolarHBondContact O-N 3.44Å; A112-P117 VanDerWaalsContact O-CD 3.32Å; A112-P117 WeakPolarHBondContact O-CD 3.41Å
113L88.5Confident92.3Very high126 Ų12653.9 Ų53.966%0.6628%0.281SS*.Hα-helixtrans-68.7-30.9178.2-68.3175.5000112.7A111A111-L113 PolarHBondContact O-N 2.88Å
114K91.2Very high92.5Very high127 Ų12754 Ų5455%0.55227%0.271SS*.Hα-helixtrans-87.5-36.8179.6-171.5-178.4-175.3-1730111.8A111 A112 R282 E286A111-K114 PolarHBondContact O-N 3.22Å; A112-K114 VanDerWaalsContact C-N 3.32Å; A112-K114 PolarHBondContact O-N 3.42Å; K114-R282 PolarHBondContact O-NH2 3.34Å; K114-E286 HydrophobicContact CD-CG 4.38Å; K114-E286 WeakPolarHBondContact CD-OE2 3.21Å; K114-E286 VanDerWaalsContact CE-OE1 3.25Å; K114-E286 WeakPolarHBondContact CE-OE1 3.44Å; K114-E286 IonicContact NZ-OE1 3.3Å; K114-E286 PolarHBondContact NZ-OE1 2.61Å; K114-E286 IonicContact NZ-OE2 3.51Å; K114-E286 PolarHBondContact NZ-OE2 2.93Å
115I92.4Very high92.6Very high1 Ų153.6 Ų53.61%0.00527%0.27CS..Hα-helixtrans-80-33-177.4-65.5175.7000111.2A111 I279 R282 L283 E286A111-I115 HydrophobicContact CB-CD1 3.81Å; A111-I115 HydrophobicContact CB-CG1 4.36Å; A111-I115 WeakPolarHBondContact O-CB 3.32Å; A111-I115 WeakPolarHBondContact O-CG1 3.43Å; A111-I115 PolarHBondContact O-N 3.05Å; I115-I279 HydrophobicContact CG2-CG1 4.33Å; I115-I279 HydrophobicContact CG2-CG2 4.26Å; I115-R282 VanDerWaalsContact CA-NH2 3.35Å; I115-R282 HydrophobicContact CD1-CB 4.32Å; I115-R282 HydrophobicContact CG1-CB 4.17Å; I115-R282 VanDerWaalsContact O-CZ 3.24Å; I115-R282 PolarHBondContact O-NH1 3.44Å; I115-R282 PolarHBondContact O-NH2 2.97Å; I115-L283 HydrophobicContact CD1-CB 3.87Å; I115-L283 HydrophobicContact CD1-CD1 3.44Å; I115-L283 VanDerWaalsContact CD1-CD1 3.44Å; I115-L283 HydrophobicContact CD1-CG 4.28Å; I115-E286 HydrophobicContact CD1-CG 4.4Å
116E93.1Very high92.7Very high128 Ų12852.2 Ų52.260%0.59826%0.26SS*.  trans51.657-176-57.9-177.1148.300111.9A112 F118 G119A112-E116 WeakPolarHBondContact O-CA 3.41Å; A112-E116 PolarHBondContact O-N 3.44Å; E116-F118 PolarHBondContact O-N 3.16Å; E116-G119 PolarHBondContact O-N 3.02Å
117P92.9Very high92.7Very high6 Ų650.3 Ų50.34%0.03926%0.255CS..THydrogen-bonded Turntrans-63.9-12.1-173.928.6-37.1000114.2F82 A112 A272 I279F82-P117 HydrophobicContact CB-CG 4.41Å; F82-P117 HydrophobicContact CD1-CG 3.83Å; F82-P117 HydrophobicContact CD2-CB 3.65Å; F82-P117 HydrophobicContact CD2-CG 3.53Å; F82-P117 HydrophobicContact CE1-CB 4.25Å; F82-P117 HydrophobicContact CE1-CG 3.89Å; F82-P117 HydrophobicContact CE2-CB 3.3Å; F82-P117 HydrophobicContact CE2-CG 3.62Å; F82-P117 HydrophobicContact CG-CB 4.29Å; F82-P117 HydrophobicContact CG-CG 3.66Å; F82-P117 HydrophobicContact CZ-CB 3.64Å; F82-P117 HydrophobicContact CZ-CG 3.8Å; A112-P117 VanDerWaalsContact O-CD 3.32Å; A112-P117 WeakPolarHBondContact O-CD 3.41Å; P117-A272 WeakPolarHBondContact O-CA 3.29Å; P117-I279 HydrophobicContact CB-CD1 3.9Å; P117-I279 HydrophobicContact CB-CG1 4.43Å
118F94.9Very high92.5Very high5 Ų550.1 Ų50.12%0.02225%0.251CS..THydrogen-bonded Turntrans-119.517.2-178.8-55.6-60.2000112F78 I81 F82 V85 E116 I121 P122 A267 I268 A272F78-F118 HydrophobicContact CB-CD2 4.01Å; F78-F118 HydrophobicContact CB-CE2 4.29Å; F78-F118 HydrophobicContact CD1-CB 4.19Å; F78-F118 HydrophobicContact CD1-CD1 4.44Å; F78-F118 AromaticContact CD1-CD2 3.59Å; F78-F118 HydrophobicContact CD1-CD2 3.59Å; F78-F118 HydrophobicContact CD1-CE2 4.02Å; F78-F118 AromaticContact CD1-CG 3.82Å; F78-F118 HydrophobicContact CD1-CG 3.82Å; F78-F118 HydrophobicContact CE1-CG 4.38Å; F78-F118 HydrophobicContact CG-CD2 4.27Å; F78-F118 WeakPolarHBondContact O-CE2 3.26Å; I81-F118 HydrophobicContact CD1-CZ 4.35Å; I81-F118 HydrophobicContact CG1-CE2 4.32Å; I81-F118 HydrophobicContact CG1-CZ 4.18Å; F82-F118 HydrophobicContact CB-CE2 3.95Å; F82-F118 HydrophobicContact CB-CZ 4.25Å; F82-F118 HydrophobicContact CD2-CE2 4.41Å; F82-F118 HydrophobicContact CD2-CZ 4.25Å; F82-F118 HydrophobicContact CG-CE2 4.47Å; V85-F118 HydrophobicContact CB-CZ 4.42Å; V85-F118 HydrophobicContact CG1-CE1 4.19Å; V85-F118 HydrophobicContact CG1-CZ 4.34Å; V85-F118 HydrophobicContact CG2-CZ 4.31Å; E116-F118 PolarHBondContact O-N 3.16Å; F118-I121 WeakPolarHBondContact O-CB 3.25Å; F118-I121 PolarHBondContact O-N 3.27Å; F118-P122 HydrophobicContact CB-CG 3.99Å; F118-A267 HydrophobicContact CB-CB 3.98Å; F118-A267 HydrophobicContact CD1-CB 3.8Å; F118-A267 HydrophobicContact CG-CB 4.19Å; F118-I268 HydrophobicContact CE1-CG1 4.12Å; F118-A272 HydrophobicContact CD1-CB 4.05Å; F118-A272 HydrophobicContact CE1-CB 3.9Å
119G91.5Very high92.4Very high34 Ų3450.1 Ų50.135%0.35125%0.251SS..THydrogen-bonded Turntrans54.7-140.3-175.700000113.3E116 I121E116-G119 PolarHBondContact O-N 3.02Å; G119-I121 VanDerWaalsContact C-N 3.33Å
120D92.2Very high92.1Very high86 Ų8648.7 Ų48.746%0.4625%0.248SC..THydrogen-bonded Turntrans-86.8-0.5-178.976.2-41.8000113.7T123 R124D120-T123 PolarHBondContact O-N 2.95Å; D120-R124 PolarHBondContact O-N 2.82Å; D120-R124 IonicContact OD1-CZ 3.06Å; D120-R124 IonicContact OD1-NH2 2.89Å; D120-R124 PolarHBondContact OD1-NH2 3.16Å; D120-R124 IonicContact OD2-CZ 3.75Å; D120-R124 IonicContact OD2-NE 3.8Å; D120-R124 PolarHBondContact OD2-NE 3.01Å; D120-R124 IonicContact OD2-NH2 2.64Å; D120-R124 PolarHBondContact OD2-NH2 2.87Å
121I94.3Very high91.7Very high6 Ų647.3 Ų47.33%0.03124%0.238CC..Hα-helixtrans-56.2-45.8-176.6-65.5-179.3000112.8F78 F118 G119 T123 R124 A125 D266 A267 D271F78-I121 HydrophobicContact CZ-CG2 4.1Å; F118-I121 WeakPolarHBondContact O-CB 3.25Å; F118-I121 PolarHBondContact O-N 3.27Å; G119-I121 VanDerWaalsContact C-N 3.33Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.48Å; I121-R124 PolarHBondContact O-N 3.39Å; I121-A125 VanDerWaalsContact O-CB 3.27Å; I121-A125 WeakPolarHBondContact O-CB 3.43Å; I121-A125 PolarHBondContact O-N 3.3Å; I121-D266 HydrophobicContact CD1-CB 4.42Å; I121-A267 HydrophobicContact CB-CB 4.33Å; I121-A267 HydrophobicContact CD1-CB 3.75Å; I121-A267 HydrophobicContact CG2-CB 4.13Å; I121-D271 WeakPolarHBondContact CD1-OD2 3.44Å
122P93.7Very high91.3Very high14 Ų1446.9 Ų46.99%0.09124%0.235CC..Hα-helixtrans-58.6-41.3178.9-23.734000112.5V74 E75 F78 F118 G126V74-P122 WeakPolarHBondContact CG1-O 3.44Å; E75-P122 HydrophobicContact CG-CB 4.14Å; F78-P122 HydrophobicContact CB-CB 3.97Å; F78-P122 HydrophobicContact CB-CG 3.76Å; F78-P122 HydrophobicContact CD1-CG 3.89Å; F78-P122 HydrophobicContact CD2-CB 3.65Å; F78-P122 HydrophobicContact CD2-CG 3.86Å; F78-P122 HydrophobicContact CE1-CG 4.42Å; F78-P122 HydrophobicContact CE2-CB 4.26Å; F78-P122 HydrophobicContact CE2-CG 4.4Å; F78-P122 HydrophobicContact CG-CB 3.83Å; F78-P122 HydrophobicContact CG-CG 3.57Å; F118-P122 HydrophobicContact CB-CG 3.99Å; P122-G126 PolarHBondContact O-N 2.86Å
123T92.6Very high90.9Very high46 Ų4646.6 Ų46.628%0.28223%0.233SC..Hα-helixtrans-68.9-45.9177.1-67.60000111.3R71 E75 D120 I121 G126 L127R71-T123 PolarHBondContact NH2-OG1 2.82Å; E75-T123 PolarHBondContact OE1-OG1 3Å; D120-T123 PolarHBondContact O-N 2.95Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.48Å; T123-G126 PolarHBondContact O-N 3.07Å; T123-L127 HydrophobicContact CG2-CD1 4.16Å; T123-L127 HydrophobicContact CG2-CG 4.49Å; T123-L127 WeakPolarHBondContact O-CG 3.3Å; T123-L127 PolarHBondContact O-N 3.5Å
124R92.5Very high90.5Very high141 Ų14142.4 Ų42.453%0.53221%0.209SC..Hα-helixtrans-61.3-46.5178.6-167.4-172.2-57.8161.20.7111.8D120 I121 G126 L127 L128D120-R124 PolarHBondContact O-N 2.82Å; D120-R124 IonicContact OD1-CZ 3.06Å; D120-R124 IonicContact OD1-NH2 2.89Å; D120-R124 PolarHBondContact OD1-NH2 3.16Å; D120-R124 IonicContact OD2-CZ 3.75Å; D120-R124 IonicContact OD2-NE 3.8Å; D120-R124 PolarHBondContact OD2-NE 3.01Å; D120-R124 IonicContact OD2-NH2 2.64Å; D120-R124 PolarHBondContact OD2-NH2 2.87Å; I121-R124 PolarHBondContact O-N 3.39Å; R124-G126 VanDerWaalsContact C-N 3.35Å; R124-L127 PolarHBondContact O-N 2.71Å; R124-L128 PolarHBondContact O-N 2.86Å
125A92.9Very high89.9Confident2 Ų237.1 Ų37.12%0.01719%0.187CC..Hα-helixtrans-64.5-39.3176.400000111.8V74 I121 L128 L129 I260V74-A125 HydrophobicContact CG1-CB 4.1Å; I121-A125 VanDerWaalsContact O-CB 3.27Å; I121-A125 WeakPolarHBondContact O-CB 3.43Å; I121-A125 PolarHBondContact O-N 3.3Å; A125-L128 PolarHBondContact O-N 3.28Å; A125-L129 WeakPolarHBondContact O-CB 3.16Å; A125-L129 PolarHBondContact O-N 2.93Å; A125-I260 HydrophobicContact CB-CG1 4.41Å
126G92.2Very high89.4Confident0 Ų041 Ų410%021%0.207CC..Hα-helixtrans-63.2-39.517400000113.3P122 T123 R124 K130P122-G126 PolarHBondContact O-N 2.86Å; T123-G126 PolarHBondContact O-N 3.07Å; R124-G126 VanDerWaalsContact C-N 3.35Å; G126-K130 WeakPolarHBondContact O-CB 3.48Å; G126-K130 PolarHBondContact O-N 3.49Å
127L90.4Very high88.7Confident80 Ų8035.7 Ų35.742%0.41918%0.183SC..Hα-helixtrans-67.6-43.3174.9-72.5173.9000112.1T123 R124 L129 K130 E131T123-L127 HydrophobicContact CG2-CD1 4.16Å; T123-L127 HydrophobicContact CG2-CG 4.49Å; T123-L127 WeakPolarHBondContact O-CG 3.3Å; T123-L127 PolarHBondContact O-N 3.5Å; R124-L127 PolarHBondContact O-N 2.71Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.33Å; L127-K130 WeakPolarHBondContact O-CB 3.45Å; L127-K130 PolarHBondContact O-N 2.83Å; L127-E131 PolarHBondContact O-N 3.38Å
128L90.7Very high87.9Confident33 Ų3336.1 Ų36.117%0.17318%0.184CC..Hα-helixtrans-60.1-44.9176-173.869000111.5R124 A125 K130 E131 A132 A248 A253 Q258R124-L128 PolarHBondContact O-N 2.86Å; A125-L128 PolarHBondContact O-N 3.28Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.07Å; L128-E131 PolarHBondContact O-N 3.36Å; L128-A132 WeakPolarHBondContact O-CB 3.41Å; L128-A132 PolarHBondContact O-N 3.09Å; L128-A248 HydrophobicContact CD1-CB 3.39Å; L128-A248 HydrophobicContact CG-CB 4.21Å; L128-A253 HydrophobicContact CD2-CB 4.31Å; L128-A253 HydrophobicContact CG-CB 3.99Å; L128-Q258 WeakPolarHBondContact CD2-O 3.42Å
129L90.6Very high87.2Confident0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-64.1-40.7176.7-174.164.8000112L31 F35 L70 V74 A125 L127 A132 A133 L250 A253 L254 I260L31-L129 HydrophobicContact CD2-CD2 3.62Å; F35-L129 HydrophobicContact CZ-CD1 3.91Å; F35-L129 HydrophobicContact CZ-CG 4.47Å; L70-L129 HydrophobicContact CD2-CD2 3.99Å; L70-L129 HydrophobicContact CD2-CG 4.47Å; V74-L129 HydrophobicContact CG2-CD2 3.83Å; A125-L129 WeakPolarHBondContact O-CB 3.16Å; A125-L129 PolarHBondContact O-N 2.93Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.33Å; L129-A132 PolarHBondContact O-N 3.22Å; L129-A133 WeakPolarHBondContact O-CB 3.27Å; L129-A133 PolarHBondContact O-N 2.83Å; L129-L250 HydrophobicContact CD1-CD1 3.98Å; L129-A253 HydrophobicContact CD1-CB 4.35Å; L129-L254 HydrophobicContact CD1-CD2 3.65Å; L129-L254 HydrophobicContact CD1-CG 4.46Å; L129-I260 HydrophobicContact CB-CD1 4.3Å; L129-I260 HydrophobicContact CD1-CD1 4.05Å; L129-I260 HydrophobicContact CD2-CD1 3.84Å; L129-I260 HydrophobicContact CG-CD1 4.28Å
130K86.9Confident86.5Confident71 Ų7139 Ų3931%0.30919%0.188SC..Hα-helixtrans-59.3-49.7175.1172.6-170.4163.8-1740110.8N67 G126 L127 L128 A132 A133 E134N67-K130 HydrophobicContact CB-CD 3.87Å; N67-K130 HydrophobicContact CB-CG 3.79Å; G126-K130 WeakPolarHBondContact O-CB 3.48Å; G126-K130 PolarHBondContact O-N 3.49Å; L127-K130 WeakPolarHBondContact O-CB 3.45Å; L127-K130 PolarHBondContact O-N 2.83Å; L128-K130 VanDerWaalsContact C-N 3.35Å; L128-K130 PolarHBondContact O-N 3.07Å; K130-A132 VanDerWaalsContact C-N 3.33Å; K130-A132 PolarHBondContact O-N 2.91Å; K130-A133 PolarHBondContact O-N 3.37Å; K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 WeakPolarHBondContact O-CG 3.33Å; K130-E134 PolarHBondContact O-N 3.09Å
131E85.1Confident85.9Confident72 Ų7235.3 Ų35.334%0.33617%0.168SC..Hα-helixtrans-59.9-44.7179.8-176.5178.3-174.300111.6L127 L128 A133 E134 D135 R247L127-E131 PolarHBondContact O-N 3.38Å; L128-E131 PolarHBondContact O-N 3.36Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.06Å; E131-E134 PolarHBondContact O-N 3.19Å; E131-D135 PolarHBondContact O-N 3.4Å; E131-R247 HydrophobicContact CG-CB 4.15Å; E131-R247 HydrophobicContact CG-CG 4.12Å; E131-R247 WeakPolarHBondContact OE1-CG 3.34Å
132A86.7Confident85.2Confident0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-64.2-35.9176.500000113L128 L129 K130 D135 L136 A248 A253L128-A132 WeakPolarHBondContact O-CB 3.41Å; L128-A132 PolarHBondContact O-N 3.09Å; L129-A132 PolarHBondContact O-N 3.22Å; K130-A132 VanDerWaalsContact C-N 3.33Å; K130-A132 PolarHBondContact O-N 2.91Å; A132-D135 PolarHBondContact O-N 3.44Å; A132-L136 WeakPolarHBondContact O-CB 3.5Å; A132-L136 PolarHBondContact O-N 3.45Å; A132-A248 VanDerWaalsContact CA-O 3.26Å; A132-A248 WeakPolarHBondContact CA-O 3.1Å; A132-A248 VanDerWaalsContact CB-O 3.27Å; A132-A248 WeakPolarHBondContact CB-O 3.33Å; A132-A253 HydrophobicContact CB-CB 3.57Å
133A84.5Confident84.5Confident1 Ų138.1 Ų38.11%0.00818%0.184CC..Hα-helixtrans-69.1-38.3175.900000112.3F35 L70 L129 K130 E131 L136 Q137F35-A133 HydrophobicContact CE1-CB 3.83Å; L70-A133 HydrophobicContact CD1-CB 3.46Å; L70-A133 VanDerWaalsContact CD1-CB 3.46Å; L129-A133 WeakPolarHBondContact O-CB 3.27Å; L129-A133 PolarHBondContact O-N 2.83Å; K130-A133 PolarHBondContact O-N 3.37Å; E131-A133 VanDerWaalsContact C-N 3.32Å; E131-A133 PolarHBondContact O-N 3.06Å; A133-L136 PolarHBondContact O-N 2.97Å; A133-Q137 PolarHBondContact O-N 3.05Å; A133-Q137 VanDerWaalsContact O-N 3.11Å
134E79.5Confident84Confident37 Ų3739.5 Ų39.517%0.17319%0.188CC..Hα-helixtrans-64.8-40.3173.1-71.7175.4-175.600111.9N67 K130 E131 Q137 Y138N67-E134 PolarHBondContact ND2-OE1 2.76Å; K130-E134 WeakPolarHBondContact CE-OE1 3.46Å; K130-E134 WeakPolarHBondContact O-CG 3.33Å; K130-E134 PolarHBondContact O-N 3.09Å; E131-E134 PolarHBondContact O-N 3.19Å; E134-Q137 PolarHBondContact O-N 2.95Å; E134-Y138 PolarHBondContact O-N 2.8Å; E134-Y138 VanDerWaalsContact O-N 3.14Å
135D79.3Confident83.4Confident17 Ų1734.7 Ų34.79%0.09117%0.171CC..Hα-helixtrans-64.3-43.2175.9-16463000111.7E131 A132 Q137 Y138 V139 R245 R247E131-D135 PolarHBondContact O-N 3.4Å; A132-D135 PolarHBondContact O-N 3.44Å; D135-Q137 VanDerWaalsContact C-N 3.35Å; D135-Q137 PolarHBondContact O-N 2.9Å; D135-Y138 VanDerWaalsContact O-CB 3.32Å; D135-Y138 WeakPolarHBondContact O-CB 3.25Å; D135-Y138 PolarHBondContact O-N 2.85Å; D135-Y138 VanDerWaalsContact O-N 3.1Å; D135-V139 WeakPolarHBondContact O-CG2 3.12Å; D135-V139 PolarHBondContact O-N 2.86Å; D135-R245 WeakPolarHBondContact OD1-CD 3.47Å; D135-R245 IonicContact OD1-NH1 2.67Å; D135-R247 HydrophobicContact CB-CB 4.15Å
136L81.5Confident82.8Confident81 Ų8136 Ų3642%0.42418%0.182SC..Hα-helixtrans-59.8-42.2175.7-176.666.2000112.7A132 A133 Y138 V139 R140 L250A132-L136 WeakPolarHBondContact O-CB 3.5Å; A132-L136 PolarHBondContact O-N 3.45Å; A133-L136 PolarHBondContact O-N 2.97Å; L136-Y138 VanDerWaalsContact C-N 3.26Å; L136-Y138 PolarHBondContact O-N 3.24Å; L136-V139 PolarHBondContact O-N 3.32Å; L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 PolarHBondContact O-N 3.48Å; L136-L250 HydrophobicContact CD2-CD2 4.04Å
137Q77.3Confident82.2Confident18 Ų1839.8 Ų39.88%0.08420%0.201CC..Hα-helixtrans-63.3-37.3176.3-71.5-173.5-55.600112.1R38 F59 E62 A133 E134 D135 R140 F141R38-Q137 HydrophobicContact CG-CG 3.91Å; F59-Q137 HydrophobicContact CE1-CB 4.43Å; F59-Q137 HydrophobicContact CE2-CB 4.31Å; F59-Q137 HydrophobicContact CZ-CB 3.56Å; E62-Q137 PolarHBondContact OE2-NE2 3.14Å; A133-Q137 PolarHBondContact O-N 3.05Å; A133-Q137 VanDerWaalsContact O-N 3.11Å; E134-Q137 PolarHBondContact O-N 2.95Å; D135-Q137 VanDerWaalsContact C-N 3.35Å; D135-Q137 PolarHBondContact O-N 2.9Å; Q137-R140 PolarHBondContact O-N 2.88Å; Q137-F141 PolarHBondContact O-N 3.37Å
138Y76.3Confident81.9Confident15 Ų1539.4 Ų39.46%0.05920%0.2CC..Hα-helixtrans-63.6-47.1176.5-175.6-101.2000111.2F59 E134 D135 L136 R140 F141 F142 S241 R245F59-Y138 HydrophobicContact CB-CD2 4.4Å; F59-Y138 AromaticContact CD2-CD2 3.87Å; F59-Y138 HydrophobicContact CD2-CD2 3.87Å; F59-Y138 HydrophobicContact CE2-CD2 4.42Å; F59-Y138 HydrophobicContact CG-CD2 4.15Å; E134-Y138 PolarHBondContact O-N 2.8Å; E134-Y138 VanDerWaalsContact O-N 3.14Å; D135-Y138 VanDerWaalsContact O-CB 3.32Å; D135-Y138 WeakPolarHBondContact O-CB 3.25Å; D135-Y138 PolarHBondContact O-N 2.85Å; D135-Y138 VanDerWaalsContact O-N 3.1Å; L136-Y138 VanDerWaalsContact C-N 3.26Å; L136-Y138 PolarHBondContact O-N 3.24Å; Y138-R140 VanDerWaalsContact C-N 3.34Å; Y138-R140 PolarHBondContact O-N 3.12Å; Y138-F141 WeakPolarHBondContact O-CB 3.48Å; Y138-F141 PolarHBondContact O-N 3.26Å; Y138-F142 HydrophobicContact CD1-CD2 4.22Å; Y138-F142 HydrophobicContact CD1-CE2 4.2Å; Y138-F142 HydrophobicContact CD2-CE2 4.22Å; Y138-F142 AromaticContact CE1-CD2 3.84Å; Y138-F142 HydrophobicContact CE1-CD2 3.84Å; Y138-F142 AromaticContact CE1-CE2 3.49Å; Y138-F142 HydrophobicContact CE1-CE2 3.49Å; Y138-F142 VanDerWaalsContact CE1-CE2 3.49Å; Y138-F142 HydrophobicContact CE1-CZ 4.4Å; Y138-F142 HydrophobicContact CE2-CD2 4.33Å; Y138-F142 AromaticContact CE2-CE2 3.52Å; Y138-F142 HydrophobicContact CE2-CE2 3.52Å; Y138-F142 HydrophobicContact CE2-CZ 4.4Å; Y138-F142 AromaticContact CZ-CD2 3.91Å; Y138-F142 AromaticContact CZ-CE2 3.1Å; Y138-F142 AromaticContact CZ-CZ 3.84Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.1Å; Y138-F142 WeakPolarHBondContact OH-CE2 3.48Å; Y138-F142 VanDerWaalsContact OH-CZ 3.31Å; Y138-F142 WeakPolarHBondContact OH-CZ 3.37Å; Y138-S241 WeakPolarHBondContact CE1-OG 3.22Å; Y138-S241 WeakPolarHBondContact OH-CB 3.36Å; Y138-S241 PolarHBondContact OH-OG 3.15Å; Y138-R245 VanDerWaalsContact CD1-NH1 3.29Å
139V79.6Confident81.4Confident37 Ų3738 Ų3822%0.22419%0.193CC..Hα-helixtrans-59.4-45.5175.2175.60000111D135 L136 F141 F142 V143 F238D135-V139 WeakPolarHBondContact O-CG2 3.12Å; D135-V139 PolarHBondContact O-N 2.86Å; L136-V139 PolarHBondContact O-N 3.32Å; V139-F141 VanDerWaalsContact C-N 3.3Å; V139-F141 PolarHBondContact O-N 3.23Å; V139-F142 PolarHBondContact O-N 2.89Å; V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.19Å; V139-V143 PolarHBondContact O-N 3.26Å; V139-V143 VanDerWaalsContact O-N 3.08Å; V139-F238 HydrophobicContact CB-CE2 4.33Å; V139-F238 HydrophobicContact CG1-CE2 4.12Å; V139-F238 HydrophobicContact CG1-CZ 4.1Å; V139-F238 HydrophobicContact CG2-CE2 4.1Å; V139-F238 HydrophobicContact CG2-CZ 4.45Å
140R78.1Confident80.9Confident61 Ų6142.2 Ų42.223%0.2322%0.218CC..Hα-helixtrans-54-47.9176.2174.2-176.7167.1-121.7-12.5111.3R38 S39 A41 L136 Q137 Y138 F142 V143 E144R38-R140 PolarHBondContact O-NH1 2.91Å; S39-R140 PolarHBondContact O-NE 3.1Å; S39-R140 PolarHBondContact O-NH1 3.48Å; S39-R140 PolarHBondContact O-NH2 2.98Å; A41-R140 PolarHBondContact O-NH1 3.38Å; A41-R140 VanDerWaalsContact O-NH1 3.09Å; L136-R140 WeakPolarHBondContact O-CB 3.49Å; L136-R140 PolarHBondContact O-N 3.48Å; Q137-R140 PolarHBondContact O-N 2.88Å; Y138-R140 VanDerWaalsContact C-N 3.34Å; Y138-R140 PolarHBondContact O-N 3.12Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 2.96Å; R140-V143 WeakPolarHBondContact O-CB 3.18Å; R140-V143 PolarHBondContact O-N 3.18Å; R140-V143 VanDerWaalsContact O-N 3.09Å; R140-E144 HydrophobicContact CG-CG 4.19Å; R140-E144 IonicContact CZ-OE1 3.84Å; R140-E144 IonicContact CZ-OE2 2.77Å; R140-E144 IonicContact NE-OE1 3.52Å; R140-E144 PolarHBondContact NE-OE1 2.97Å; R140-E144 IonicContact NE-OE2 3.11Å; R140-E144 VanDerWaalsContact NH2-CD 3.31Å; R140-E144 IonicContact NH2-OE1 2.82Å; R140-E144 PolarHBondContact NH2-OE1 3.46Å; R140-E144 IonicContact NH2-OE2 3.06Å; R140-E144 PolarHBondContact NH2-OE2 3.42Å; R140-E144 WeakPolarHBondContact O-CG 3.28Å; R140-E144 PolarHBondContact O-N 3.15Å
141F79.3Confident80.6Confident9 Ų944.5 Ų44.54%0.03923%0.228CC..Hα-helixtrans-54.6-47.2-179.9163.2-98.5000112.1V43 I45 W57 F59 Q137 Y138 V139 V143 E144 E145V43-F141 HydrophobicContact CB-CD2 4.14Å; V43-F141 HydrophobicContact CG1-CD2 3.6Å; V43-F141 HydrophobicContact CG1-CE2 4.16Å; V43-F141 HydrophobicContact CG1-CG 4.37Å; V43-F141 HydrophobicContact CG2-CB 4.44Å; V43-F141 HydrophobicContact CG2-CD2 4.31Å; I45-F141 HydrophobicContact CD1-CE2 3.71Å; I45-F141 HydrophobicContact CG1-CE2 3.95Å; W57-F141 HydrophobicContact CD2-CE1 4.17Å; W57-F141 HydrophobicContact CD2-CZ 4.03Å; W57-F141 AromaticContact CE3-CE1 3.84Å; W57-F141 HydrophobicContact CE3-CE1 3.84Å; W57-F141 HydrophobicContact CE3-CE2 4.15Å; W57-F141 AromaticContact CE3-CZ 3.34Å; W57-F141 HydrophobicContact CE3-CZ 3.34Å; W57-F141 HydrophobicContact CH2-CE1 4.45Å; W57-F141 HydrophobicContact CH2-CE2 4.36Å; W57-F141 AromaticContact CH2-CZ 3.56Å; W57-F141 HydrophobicContact CH2-CZ 3.56Å; W57-F141 HydrophobicContact CZ2-CZ 4.19Å; W57-F141 HydrophobicContact CZ3-CE1 4.02Å; W57-F141 AromaticContact CZ3-CE2 3.72Å; W57-F141 HydrophobicContact CZ3-CE2 3.72Å; W57-F141 AromaticContact CZ3-CZ 3.09Å; W57-F141 HydrophobicContact CZ3-CZ 3.09Å; F59-F141 HydrophobicContact CE2-CB 4.4Å; Q137-F141 PolarHBondContact O-N 3.37Å; Y138-F141 WeakPolarHBondContact O-CB 3.48Å; Y138-F141 PolarHBondContact O-N 3.26Å; V139-F141 VanDerWaalsContact C-N 3.3Å; V139-F141 PolarHBondContact O-N 3.23Å; F141-V143 VanDerWaalsContact C-N 3.33Å; F141-V143 PolarHBondContact O-N 3.29Å; F141-E144 PolarHBondContact O-N 2.96Å; F141-E145 HydrophobicContact CZ-CB 4.46Å; F141-E145 WeakPolarHBondContact O-CB 3.11Å; F141-E145 PolarHBondContact O-N 3.11Å
142F79.4Confident80.5Confident7 Ų745.2 Ų45.23%0.03123%0.231CC..Hα-helixtrans-66.1-35.6177.4-82.4-86.1000113.3Y138 V139 R140 A146 V234 K237 F238Y138-F142 HydrophobicContact CD1-CD2 4.22Å; Y138-F142 HydrophobicContact CD1-CE2 4.2Å; Y138-F142 HydrophobicContact CD2-CE2 4.22Å; Y138-F142 AromaticContact CE1-CD2 3.84Å; Y138-F142 HydrophobicContact CE1-CD2 3.84Å; Y138-F142 AromaticContact CE1-CE2 3.49Å; Y138-F142 HydrophobicContact CE1-CE2 3.49Å; Y138-F142 VanDerWaalsContact CE1-CE2 3.49Å; Y138-F142 HydrophobicContact CE1-CZ 4.4Å; Y138-F142 HydrophobicContact CE2-CD2 4.33Å; Y138-F142 AromaticContact CE2-CE2 3.52Å; Y138-F142 HydrophobicContact CE2-CE2 3.52Å; Y138-F142 HydrophobicContact CE2-CZ 4.4Å; Y138-F142 AromaticContact CZ-CD2 3.91Å; Y138-F142 AromaticContact CZ-CE2 3.1Å; Y138-F142 AromaticContact CZ-CZ 3.84Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.1Å; Y138-F142 WeakPolarHBondContact OH-CE2 3.48Å; Y138-F142 VanDerWaalsContact OH-CZ 3.31Å; Y138-F142 WeakPolarHBondContact OH-CZ 3.37Å; V139-F142 PolarHBondContact O-N 2.89Å; R140-F142 VanDerWaalsContact C-N 3.32Å; R140-F142 PolarHBondContact O-N 2.96Å; F142-A146 VanDerWaalsContact O-CB 3.27Å; F142-A146 WeakPolarHBondContact O-CB 3.31Å; F142-A146 PolarHBondContact O-N 3.01Å; F142-V234 HydrophobicContact CD1-CG1 3.83Å; F142-V234 HydrophobicContact CE1-CG1 4.42Å; F142-K237 HydrophobicContact CE1-CB 3.92Å; F142-K237 HydrophobicContact CZ-CB 4.42Å; F142-F238 HydrophobicContact CB-CB 4.1Å; F142-F238 HydrophobicContact CB-CD2 3.45Å; F142-F238 VanDerWaalsContact CB-CD2 3.45Å; F142-F238 HydrophobicContact CB-CE2 4.15Å; F142-F238 HydrophobicContact CB-CG 3.94Å; F142-F238 HydrophobicContact CD1-CB 3.43Å; F142-F238 VanDerWaalsContact CD1-CB 3.43Å; F142-F238 HydrophobicContact CD1-CD2 4.1Å; F142-F238 HydrophobicContact CD1-CG 4.17Å; F142-F238 AromaticContact CD2-CD2 3.78Å; F142-F238 HydrophobicContact CD2-CD2 3.78Å; F142-F238 HydrophobicContact CE1-CB 3.96Å; F142-F238 HydrophobicContact CG-CB 3.75Å; F142-F238 AromaticContact CG-CD2 3.47Å; F142-F238 HydrophobicContact CG-CD2 3.47Å; F142-F238 VanDerWaalsContact CG-CD2 3.47Å; F142-F238 HydrophobicContact CG-CE2 4.47Å; F142-F238 AromaticContact CG-CG 3.97Å; F142-F238 HydrophobicContact CG-CG 3.97Å
143V79.3Confident80.2Confident73 Ų7346.2 Ų46.244%0.44224%0.236SC..Hα-helixtrans-66.1-41.8176172.30000110.7V139 R140 F141 A146 I147V139-V143 HydrophobicContact CG1-CG2 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 3.19Å; V139-V143 PolarHBondContact O-N 3.26Å; V139-V143 VanDerWaalsContact O-N 3.08Å; R140-V143 WeakPolarHBondContact O-CB 3.18Å; R140-V143 PolarHBondContact O-N 3.18Å; R140-V143 VanDerWaalsContact O-N 3.09Å; F141-V143 VanDerWaalsContact C-N 3.33Å; F141-V143 PolarHBondContact O-N 3.29Å; V143-A146 PolarHBondContact O-N 3.46Å; V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 WeakPolarHBondContact O-CB 3.27Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3.27Å
144E81.9Confident79.9Confident75 Ų7551.2 Ų51.235%0.3526%0.259SS..Hα-helixtrans-65.9-44.9177.8-72.5-177.9159.900112.2R140 F141 A146 I147 D148R140-E144 HydrophobicContact CG-CG 4.19Å; R140-E144 IonicContact CZ-OE1 3.84Å; R140-E144 IonicContact CZ-OE2 2.77Å; R140-E144 IonicContact NE-OE1 3.52Å; R140-E144 PolarHBondContact NE-OE1 2.97Å; R140-E144 IonicContact NE-OE2 3.11Å; R140-E144 VanDerWaalsContact NH2-CD 3.31Å; R140-E144 IonicContact NH2-OE1 2.82Å; R140-E144 PolarHBondContact NH2-OE1 3.46Å; R140-E144 IonicContact NH2-OE2 3.06Å; R140-E144 PolarHBondContact NH2-OE2 3.42Å; R140-E144 WeakPolarHBondContact O-CG 3.28Å; R140-E144 PolarHBondContact O-N 3.15Å; F141-E144 PolarHBondContact O-N 2.96Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.15Å; E144-I147 PolarHBondContact O-N 2.86Å; E144-D148 PolarHBondContact O-N 2.89Å
145E81Confident79.9Confident39 Ų3952.5 Ų52.518%0.18227%0.27CS..Hα-helixtrans-59-46174.5-169.270.3-172.800110.9F141 I147 D148 I149 V234F141-E145 HydrophobicContact CZ-CB 4.46Å; F141-E145 WeakPolarHBondContact O-CB 3.11Å; F141-E145 PolarHBondContact O-N 3.11Å; E145-I147 PolarHBondContact O-N 2.77Å; E145-D148 PolarHBondContact O-N 3.34Å; E145-I149 HydrophobicContact CG-CD1 4.32Å; E145-I149 WeakPolarHBondContact O-CG1 3.27Å; E145-I149 PolarHBondContact O-N 3.06Å; E145-V234 HydrophobicContact CB-CG1 4.16Å; E145-V234 HydrophobicContact CG-CG1 3.96Å; E145-V234 HydrophobicContact CG-CG2 3.88Å
146A79.3Confident79.9Confident29 Ų2954 Ų5424%0.2428%0.278CS..Hα-helixtrans-63.1-40.3177.100000112.3F142 V143 E144 D148 I149 V150F142-A146 VanDerWaalsContact O-CB 3.27Å; F142-A146 WeakPolarHBondContact O-CB 3.31Å; F142-A146 PolarHBondContact O-N 3.01Å; V143-A146 PolarHBondContact O-N 3.46Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.15Å; A146-D148 VanDerWaalsContact C-N 3.34Å; A146-I149 PolarHBondContact O-N 3.18Å; A146-V150 VanDerWaalsContact O-CG2 3.29Å; A146-V150 WeakPolarHBondContact O-CG2 3.36Å; A146-V150 PolarHBondContact O-N 3.32Å
147I80.5Confident79.6Confident80 Ų8055 Ų5541%0.4128%0.276SS..Hα-helixtrans-63.4-41.3175.3-73.6166.6000110.7V143 E144 E145 V150 K151V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 WeakPolarHBondContact O-CB 3.27Å; V143-I147 WeakPolarHBondContact O-CG1 3.49Å; V143-I147 PolarHBondContact O-N 3.27Å; E144-I147 PolarHBondContact O-N 2.86Å; E145-I147 PolarHBondContact O-N 2.77Å; I147-V150 PolarHBondContact O-N 2.87Å; I147-K151 HydrophobicContact CG2-CD 4.14Å; I147-K151 HydrophobicContact CG2-CG 4.44Å; I147-K151 WeakPolarHBondContact O-CG 3.4Å; I147-K151 PolarHBondContact O-N 3.48Å
148D83.3Confident79.5Confident73 Ų7360.8 Ų60.839%0.3930%0.297SS..Hα-helixtrans-63.2-45.7178.5-166.662.4000111.3E144 E145 A146 V150 K151 Q152E144-D148 PolarHBondContact O-N 2.89Å; E145-D148 PolarHBondContact O-N 3.34Å; A146-D148 VanDerWaalsContact C-N 3.34Å; D148-V150 VanDerWaalsContact C-N 3.32Å; D148-V150 PolarHBondContact O-N 3.34Å; D148-K151 CarbonylContact O-C 3.48Å; D148-K151 WeakPolarHBondContact O-CA 3.48Å; D148-K151 WeakPolarHBondContact O-CB 3.22Å; D148-K151 PolarHBondContact O-N 2.89Å; D148-Q152 WeakPolarHBondContact O-CG 3.15Å; D148-Q152 PolarHBondContact O-N 3.47Å; D148-Q152 PolarHBondContact OD2-NE2 3.23Å
149I80Confident79.5Confident4 Ų468 Ų682%0.02132%0.324CS..Hα-helixtrans-60.7-41.9175.9-62.2163.9000111.2E145 A146 K151 Q152 I153 S227 E230 A231 V234E145-I149 HydrophobicContact CG-CD1 4.32Å; E145-I149 WeakPolarHBondContact O-CG1 3.27Å; E145-I149 PolarHBondContact O-N 3.06Å; A146-I149 PolarHBondContact O-N 3.18Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 3.29Å; I149-Q152 WeakPolarHBondContact O-CB 3.32Å; I149-Q152 PolarHBondContact O-N 3.03Å; I149-I153 HydrophobicContact CG2-CD1 4.11Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.01Å; I149-S227 VanDerWaalsContact CG2-O 3.29Å; I149-S227 WeakPolarHBondContact CG2-O 3.32Å; I149-E230 HydrophobicContact CD1-CB 4.49Å; I149-E230 HydrophobicContact CD1-CG 3.95Å; I149-A231 HydrophobicContact CG2-CB 3.69Å; I149-V234 HydrophobicContact CD1-CB 4.23Å; I149-V234 HydrophobicContact CD1-CG2 3.69Å
150V79.3Confident79Confident87 Ų8770 Ų7053%0.52733%0.328SS..Hα-helixtrans-62.7-39.71751710000111.5A146 I147 D148 I153 Q154A146-V150 VanDerWaalsContact O-CG2 3.29Å; A146-V150 WeakPolarHBondContact O-CG2 3.36Å; A146-V150 PolarHBondContact O-N 3.32Å; I147-V150 PolarHBondContact O-N 2.87Å; D148-V150 VanDerWaalsContact C-N 3.32Å; D148-V150 PolarHBondContact O-N 3.34Å; V150-I153 PolarHBondContact O-N 2.94Å; V150-Q154 WeakPolarHBondContact O-CB 3.42Å; V150-Q154 PolarHBondContact O-N 3.49Å
151K82.5Confident78.5Confident120 Ų12069.9 Ų69.952%0.52234%0.339SS..Hα-helixtrans-64.7-39174.3-74.7172.7178.4174.30111.7I147 D148 I149 Q154 T155I147-K151 HydrophobicContact CG2-CD 4.14Å; I147-K151 HydrophobicContact CG2-CG 4.44Å; I147-K151 WeakPolarHBondContact O-CG 3.4Å; I147-K151 PolarHBondContact O-N 3.48Å; D148-K151 CarbonylContact O-C 3.48Å; D148-K151 WeakPolarHBondContact O-CA 3.48Å; D148-K151 WeakPolarHBondContact O-CB 3.22Å; D148-K151 PolarHBondContact O-N 2.89Å; I149-K151 VanDerWaalsContact C-N 3.33Å; I149-K151 PolarHBondContact O-N 3.29Å; K151-Q154 PolarHBondContact O-N 2.83Å; K151-T155 PolarHBondContact O-N 2.88Å; K151-T155 PolarHBondContact O-OG1 3.5Å
152Q82.7Confident78Confident87 Ų8772.9 Ų72.941%0.40736%0.362SS..Hα-helixtrans-62.7-47.6174.9-68.9179.332.600110.6D148 I149 Q154 T155 L156D148-Q152 WeakPolarHBondContact O-CG 3.15Å; D148-Q152 PolarHBondContact O-N 3.47Å; D148-Q152 PolarHBondContact OD2-NE2 3.23Å; I149-Q152 WeakPolarHBondContact O-CB 3.32Å; I149-Q152 PolarHBondContact O-N 3.03Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 3.44Å; Q152-T155 WeakPolarHBondContact CA-OG1 3.37Å; Q152-T155 PolarHBondContact O-N 2.89Å; Q152-T155 PolarHBondContact O-OG1 3.25Å; Q152-L156 WeakPolarHBondContact O-CB 3.44Å; Q152-L156 WeakPolarHBondContact O-CG 3.46Å; Q152-L156 PolarHBondContact O-N 3.13Å
153I78.9Confident77.4Confident20 Ų2075.6 Ų75.610%0.10337%0.374CS..Hα-helixtrans-56.3-47.3173.5-70.6169.5000110.6I149 V150 T155 L156 W157 L224I149-I153 HydrophobicContact CG2-CD1 4.11Å; I149-I153 WeakPolarHBondContact O-CG1 3.41Å; I149-I153 PolarHBondContact O-N 3.01Å; V150-I153 PolarHBondContact O-N 2.94Å; I153-T155 PolarHBondContact O-N 2.72Å; I153-L156 PolarHBondContact O-N 3.29Å; I153-W157 WeakPolarHBondContact O-CB 3.44Å; I153-W157 PolarHBondContact O-N 2.86Å; I153-L224 HydrophobicContact CB-CD1 4.35Å; I153-L224 HydrophobicContact CG1-CD1 4.2Å; I153-L224 HydrophobicContact CG2-CD1 3.62Å
154Q79.1Confident76.3Confident106 Ų10675.5 Ų75.550%0.49537%0.374SS..Hα-helixtrans-63.8-40.2179.7-170.1-176.31100112.5V150 K151 Q152 W157 R158V150-Q154 WeakPolarHBondContact O-CB 3.42Å; V150-Q154 PolarHBondContact O-N 3.49Å; K151-Q154 PolarHBondContact O-N 2.83Å; Q152-Q154 VanDerWaalsContact C-N 3.32Å; Q152-Q154 PolarHBondContact O-N 3.44Å; Q154-W157 PolarHBondContact O-N 3.46Å; Q154-R158 WeakPolarHBondContact O-CB 3.38Å; Q154-R158 PolarHBondContact O-N 2.77Å
155T80.4Confident74.9Confident64 Ų6476 Ų7639%0.39338%0.382SS..Hα-helixtrans-69.8-38.3177.529.50000112K151 Q152 I153 W157 R159K151-T155 PolarHBondContact O-N 2.88Å; K151-T155 PolarHBondContact O-OG1 3.5Å; Q152-T155 WeakPolarHBondContact CA-OG1 3.37Å; Q152-T155 PolarHBondContact O-N 2.89Å; Q152-T155 PolarHBondContact O-OG1 3.25Å; I153-T155 PolarHBondContact O-N 2.72Å; T155-W157 VanDerWaalsContact C-N 3.32Å; T155-R159 VanDerWaalsContact O-CB 3.27Å; T155-R159 WeakPolarHBondContact O-CB 3.24Å; T155-R159 PolarHBondContact O-N 3.24Å
156L78.5Confident73.3Confident49 Ų4982 Ų8226%0.25740%0.404SS..Hα-helixtrans-59-46.1170.7-72.9170.8000110.9Q152 I153 R159 W160 P223 S227Q152-L156 WeakPolarHBondContact O-CB 3.44Å; Q152-L156 WeakPolarHBondContact O-CG 3.46Å; Q152-L156 PolarHBondContact O-N 3.13Å; I153-L156 PolarHBondContact O-N 3.29Å; L156-R159 PolarHBondContact O-N 3.42Å; L156-W160 PolarHBondContact O-N 3.39Å; L156-P223 HydrophobicContact CD1-CB 4.22Å; L156-P223 HydrophobicContact CD2-CB 4.32Å; L156-S227 WeakPolarHBondContact CD1-OG 3.46Å
157W74.9Confident71.8Confident101 Ų10186 Ų8638%0.38343%0.43SS..Hα-helixtrans-64.8-46.1179.3-140.483.2000112.3I153 Q154 T155 R159 W160 A161 F625I153-W157 WeakPolarHBondContact O-CB 3.44Å; I153-W157 PolarHBondContact O-N 2.86Å; Q154-W157 PolarHBondContact O-N 3.46Å; T155-W157 VanDerWaalsContact C-N 3.32Å; W157-R159 PolarHBondContact O-N 2.83Å; W157-W160 HydrophobicContact CZ2-CZ3 4.37Å; W157-W160 PolarHBondContact O-N 3.32Å; W157-A161 PolarHBondContact O-N 3.42Å; W157-F625 AromaticContact CH2-CE1 3.56Å; W157-F625 HydrophobicContact CH2-CE1 3.56Å; W157-F625 AromaticContact CH2-CZ 3.48Å; W157-F625 HydrophobicContact CH2-CZ 3.48Å; W157-F625 VanDerWaalsContact CH2-CZ 3.48Å; W157-F625 AromaticContact CZ2-CE1 3.83Å; W157-F625 HydrophobicContact CZ2-CE1 3.83Å; W157-F625 AromaticContact CZ2-CZ 3.38Å; W157-F625 HydrophobicContact CZ2-CZ 3.38Å; W157-F625 HydrophobicContact CZ3-CE1 4.44Å; W157-F625 HydrophobicContact CZ3-CZ 4.25Å
158R75.9Confident70.4Confident141 Ų14186.4 Ų86.453%0.53244%0.44SS..Hα-helixtrans-63-42.7177.4-170.5-176-61.2141.43.3111.9Q154 W160 A161 S162Q154-R158 WeakPolarHBondContact O-CB 3.38Å; Q154-R158 PolarHBondContact O-N 2.77Å; R158-W160 PolarHBondContact O-N 3.3Å; R158-A161 PolarHBondContact O-N 3.48Å; R158-S162 VanDerWaalsContact O-CB 3.28Å; R158-S162 WeakPolarHBondContact O-CB 3.5Å; R158-S162 PolarHBondContact O-N 3.22Å; R158-S162 PolarHBondContact O-OG 3.4Å; R158-S162 VanDerWaalsContact O-OG 3.07Å
159R74.9Confident68.8Low166 Ų16691.1 Ų91.163%0.62646%0.46SS*.Hα-helixtrans-57-43.5177.2-177.2-178.5-65129.31.1110.6T155 L156 W157 S162T155-R159 VanDerWaalsContact O-CB 3.27Å; T155-R159 WeakPolarHBondContact O-CB 3.24Å; T155-R159 PolarHBondContact O-N 3.24Å; L156-R159 PolarHBondContact O-N 3.42Å; W157-R159 PolarHBondContact O-N 2.83Å; R159-S162 WeakPolarHBondContact CA-OG 3.2Å; R159-S162 PolarHBondContact O-N 3.07Å; R159-S162 PolarHBondContact O-OG 2.92Å
160W69.1Low67.2Low80 Ų8098.2 Ų98.230%0.30350%0.496SS..Hα-helixtrans-66.3-50176.3177.878.7000112.4L156 W157 R158 S162 E163 F220L156-W160 PolarHBondContact O-N 3.39Å; W157-W160 HydrophobicContact CZ2-CZ3 4.37Å; W157-W160 PolarHBondContact O-N 3.32Å; R158-W160 PolarHBondContact O-N 3.3Å; W160-S162 PolarHBondContact O-N 3.11Å; W160-S162 VanDerWaalsContact O-N 3.15Å; W160-E163 WeakPolarHBondContact O-CB 3.4Å; W160-E163 PolarHBondContact O-N 2.85Å; W160-E163 VanDerWaalsContact O-N 3.07Å; W160-F220 HydrophobicContact CZ2-CE1 4.37Å; W160-F220 AromaticContact NE1-CD1 3.95Å
161A68.4Low65.4Low57 Ų57102.4 Ų102.447%0.47151%0.512SS..Hα-helixtrans-59.5-28.4177.400000113W157 R158W157-A161 PolarHBondContact O-N 3.42Å; R158-A161 PolarHBondContact O-N 3.48Å
162S69.3Low63.7Low73 Ų7399.9 Ų99.951%0.5150%0.499SS..THydrogen-bonded Turntrans-85.84178.970.60000115R158 R159 W160 T164R158-S162 VanDerWaalsContact O-CB 3.28Å; R158-S162 WeakPolarHBondContact O-CB 3.5Å; R158-S162 PolarHBondContact O-N 3.22Å; R158-S162 PolarHBondContact O-OG 3.4Å; R158-S162 VanDerWaalsContact O-OG 3.07Å; R159-S162 WeakPolarHBondContact CA-OG 3.2Å; R159-S162 PolarHBondContact O-N 3.07Å; R159-S162 PolarHBondContact O-OG 2.92Å; W160-S162 PolarHBondContact O-N 3.11Å; W160-S162 VanDerWaalsContact O-N 3.15Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.24Å
163E65.6Low62.1Low64 Ų64105 Ų10530%0.29952%0.515SS..  trans-61.995.4175.6-179.4173.7-139.900109.5W160 G175 C176 I177W160-E163 WeakPolarHBondContact O-CB 3.4Å; W160-E163 PolarHBondContact O-N 2.85Å; W160-E163 VanDerWaalsContact O-N 3.07Å; E163-G175 WeakPolarHBondContact OE1-CA 3.22Å; E163-C176 PolarHBondContact OE2-N 2.73Å; E163-C176 VanDerWaalsContact OE2-N 3.09Å; E163-I177 HydrophobicContact CB-CD1 3.84Å; E163-I177 HydrophobicContact CB-CG1 4.18Å; E163-I177 HydrophobicContact CG-CB 4.38Å; E163-I177 HydrophobicContact CG-CG1 4.49Å; E163-I177 WeakPolarHBondContact O-CD1 3.45Å; E163-I177 PolarHBondContact OE2-N 2.93Å; E163-I177 VanDerWaalsContact OE2-N 3.12Å
164T57.3Low61.2Low71 Ų71112.1 Ų112.144%0.43655%0.545SS..  trans-62.9161.9-178.953.60000111.2S162 Y166 R172S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.24Å; T164-Y166 HydrophobicContact CG2-CD2 4.28Å; T164-Y166 HydrophobicContact CG2-CE2 4.12Å; T164-R172 PolarHBondContact O-NH1 3.01Å; T164-R172 PolarHBondContact OG1-NH2 3.46Å
165V52.9Low60.5Low85 Ų85107.4 Ų107.452%0.51553%0.525SS..  trans-111.753172.9-166.70000110.5I177 V181V165-I177 HydrophobicContact CG2-CG2 3.7Å; V165-V181 HydrophobicContact CG2-CG2 4.49Å
166Y45.7Very low60.1Low166 Ų166104.6 Ų104.665%0.65151%0.508SS*.  trans-73.5144.5163.4-71.5-77.5000112.6T164 S168 R172T164-Y166 HydrophobicContact CG2-CD2 4.28Å; T164-Y166 HydrophobicContact CG2-CE2 4.12Å; Y166-S168 PolarHBondContact O-N 3.37Å; Y166-R172 WeakPolarHBondContact O-CD 3.37Å; Y166-R172 VanDerWaalsContact O-CZ 3.3Å; Y166-R172 PolarHBondContact O-NE 2.91Å; Y166-R172 PolarHBondContact O-NH1 3.24Å
167S48.7Very low59.8Low113 Ų113104 Ų10479%0.7951%0.505SS*.  trans-85.46.6-163.254.10000116.5Q169S167-Q169 PolarHBondContact O-N 3.46Å
168S51.1Low59.4Low88 Ų88102 Ų10262%0.61550%0.499SS*.  trans-72.4120.6-179.657.90000111.8Y166 I170Y166-S168 PolarHBondContact O-N 3.37Å; S168-I170 PolarHBondContact O-N 3.5Å
169Q48.4Very low59.2Low172 Ų17296.3 Ų96.380%0.80448%0.478SS*.SBendtrans-76.4-3.1-147.7-87.4166.7-32.400118.8S167S167-Q169 PolarHBondContact O-N 3.46Å
170I47.2Very low59.1Low153 Ų15390.2 Ų90.279%0.78546%0.458SS*.SBendtrans-110.8-36.1-162.6-62.1173.8000114.5S168S168-I170 PolarHBondContact O-N 3.5Å
171M41.7Very low59.1Low174 Ų17489.1 Ų89.186%0.85746%0.46SS*.SBendtrans-98.9-7.8-175.7-76.2-66.8-177.200115.3
172R47.6Very low59.1Low67 Ų6791.8 Ų91.825%0.25346%0.463SS..  trans-99.9-3.8-170.4-74.6170.2-177.4-119.7-4.9116.8T164 Y166 K174 G175 F178T164-R172 PolarHBondContact O-NH1 3.01Å; T164-R172 PolarHBondContact OG1-NH2 3.46Å; Y166-R172 WeakPolarHBondContact O-CD 3.37Å; Y166-R172 VanDerWaalsContact O-CZ 3.3Å; Y166-R172 PolarHBondContact O-NE 2.91Å; Y166-R172 PolarHBondContact O-NH1 3.24Å; R172-K174 PolarHBondContact O-N 2.99Å; R172-G175 PolarHBondContact O-N 3.47Å; R172-G175 VanDerWaalsContact O-N 3.17Å; R172-F178 WeakPolarHBondContact O-CD1 3.42Å; R172-F178 WeakPolarHBondContact O-CG 3.3Å
173R48.6Very low59Low196 Ų19689.3 Ų89.374%0.7444%0.443SS*.THydrogen-bonded Turntrans-60.4-7.8174.8-71.3-170-174-170.52.4113.9F178R173-F178 HydrophobicContact CG-CE1 4.38Å
174K58.7Low58.9Low168 Ų16892.8 Ų92.873%0.7346%0.455SS*.THydrogen-bonded Turntrans-108.9-6.5-178.7-62.5-175.3178.5-1790114.7R172 K219R172-K174 PolarHBondContact O-N 2.99Å; K174-K219 PolarHBondContact O-NZ 2.93Å
175G64.5Low59.1Low7 Ų792.3 Ų92.37%0.07245%0.452CS..  trans-71.4142.2-178.400000112.7E163 R172 F178 Q179E163-G175 WeakPolarHBondContact OE1-CA 3.22Å; R172-G175 PolarHBondContact O-N 3.47Å; R172-G175 VanDerWaalsContact O-N 3.17Å; G175-F178 PolarHBondContact O-N 3.29Å; G175-Q179 WeakPolarHBondContact O-CG 3.46Å; G175-Q179 PolarHBondContact O-N 3.36Å
176C73.8Confident59.2Low5 Ų589.2 Ų89.23%0.03443%0.434CS..Hα-helixtrans-63.8-48.1179.9158.40000110.4E163 F178 Q179 L180 C216E163-C176 PolarHBondContact OE2-N 2.73Å; E163-C176 VanDerWaalsContact OE2-N 3.09Å; C176-F178 PolarHBondContact O-N 3.15Å; C176-Q179 PolarHBondContact O-N 2.96Å; C176-Q179 VanDerWaalsContact O-N 3.11Å; C176-L180 WeakPolarHBondContact O-CG 3.24Å; C176-L180 PolarHBondContact O-N 3.21Å; C176-L180 VanDerWaalsContact SG-CD1 3.58Å; C176-C216 HydrophobicContact CB-CB 3.7Å; C176-C216 WeakPolarHBondContact CB-SG 3.45Å; C176-C216 WeakPolarHBondContact SG-CB 3.27Å; C176-C216 CovalentContact SG-SG 2Å; C176-C216 PolarHBondContact SG-SG 3.41Å
177I70.3Confident59.4Low38 Ų3884.3 Ų84.320%0.19542%0.422CS..Hα-helixtrans-61.2-39.6-177.8-63.6-168.3000110.1E163 V165 L180 V181E163-I177 HydrophobicContact CB-CD1 3.84Å; E163-I177 HydrophobicContact CB-CG1 4.18Å; E163-I177 HydrophobicContact CG-CB 4.38Å; E163-I177 HydrophobicContact CG-CG1 4.49Å; E163-I177 WeakPolarHBondContact O-CD1 3.45Å; E163-I177 PolarHBondContact OE2-N 2.93Å; E163-I177 VanDerWaalsContact OE2-N 3.12Å; V165-I177 HydrophobicContact CG2-CG2 3.7Å; I177-L180 PolarHBondContact O-N 3.49Å; I177-V181 HydrophobicContact CG2-CG2 4.25Å; I177-V181 WeakPolarHBondContact O-CB 3.35Å; I177-V181 WeakPolarHBondContact O-CG2 3.3Å; I177-V181 PolarHBondContact O-N 3.48Å
178F68.2Low59.3Low59 Ų5982.9 Ų82.926%0.25941%0.405SS..Hα-helixtrans-62.6-45.4175.1-179.3-96.4000112.6R172 R173 G175 C176 L180 V181 Q182R172-F178 WeakPolarHBondContact O-CD1 3.42Å; R172-F178 WeakPolarHBondContact O-CG 3.3Å; R173-F178 HydrophobicContact CG-CE1 4.38Å; G175-F178 PolarHBondContact O-N 3.29Å; C176-F178 PolarHBondContact O-N 3.15Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.89Å; F178-V181 PolarHBondContact O-N 3.48Å; F178-Q182 HydrophobicContact CD1-CG 4.27Å; F178-Q182 HydrophobicContact CE1-CG 3.84Å; F178-Q182 HydrophobicContact CZ-CG 3.97Å; F178-Q182 VanDerWaalsContact CZ-NE2 3.31Å; F178-Q182 WeakPolarHBondContact O-CG 3.49Å; F178-Q182 PolarHBondContact O-N 3.12Å
179Q71Confident59.5Low21 Ų2182.9 Ų82.910%0.09840%0.404CS..Hα-helixtrans-61.8-40.8177-76.6178.5-16.400111.9G175 C176 Q182 L183 T212 E215 K219G175-Q179 WeakPolarHBondContact O-CG 3.46Å; G175-Q179 PolarHBondContact O-N 3.36Å; C176-Q179 PolarHBondContact O-N 2.96Å; C176-Q179 VanDerWaalsContact O-N 3.11Å; Q179-Q182 PolarHBondContact O-N 3.44Å; Q179-L183 PolarHBondContact O-N 2.87Å; Q179-L183 VanDerWaalsContact O-N 3.17Å; Q179-T212 HydrophobicContact CB-CG2 3.86Å; Q179-E215 PolarHBondContact NE2-OE1 3.3Å; Q179-K219 VanDerWaalsContact NE2-NZ 3.15Å
180L73.4Confident59.6Low38 Ų3880.8 Ų80.820%0.19940%0.397CS..Hα-helixtrans-66.9-43.9174.4-67.5176.5000111.7C176 I177 F178 Q182 L183 Y184 V213C176-L180 WeakPolarHBondContact O-CG 3.24Å; C176-L180 PolarHBondContact O-N 3.21Å; C176-L180 VanDerWaalsContact SG-CD1 3.58Å; I177-L180 PolarHBondContact O-N 3.49Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.89Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.35Å; L180-L183 WeakPolarHBondContact O-CA 3.5Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.34Å; L180-L183 PolarHBondContact O-N 3.25Å; L180-Y184 VanDerWaalsContact O-CD2 3.26Å; L180-Y184 WeakPolarHBondContact O-CD2 3.27Å; L180-Y184 PolarHBondContact O-N 2.76Å; L180-Y184 VanDerWaalsContact O-N 3.11Å; L180-V213 HydrophobicContact CD2-CG2 3.79Å
181V69.2Low59.7Low56 Ų5676.8 Ų76.834%0.33938%0.377SS..Hα-helixtrans-60.3-41.8175.4169.50000110.7V165 I177 F178 L183 Y184 V185V165-V181 HydrophobicContact CG2-CG2 4.49Å; I177-V181 HydrophobicContact CG2-CG2 4.25Å; I177-V181 WeakPolarHBondContact O-CB 3.35Å; I177-V181 WeakPolarHBondContact O-CG2 3.3Å; I177-V181 PolarHBondContact O-N 3.48Å; F178-V181 PolarHBondContact O-N 3.48Å; V181-L183 PolarHBondContact O-N 2.88Å; V181-Y184 PolarHBondContact O-N 2.88Å; V181-V185 HydrophobicContact CG1-CG2 3.66Å; V181-V185 VanDerWaalsContact O-CB 3.24Å; V181-V185 WeakPolarHBondContact O-CB 3.26Å; V181-V185 WeakPolarHBondContact O-CG2 3.46Å; V181-V185 PolarHBondContact O-N 3.26Å
182Q66.6Low59.7Low114 Ų11472.8 Ų72.853%0.53338%0.381SS..Hα-helixtrans-62.1-28.4174-76.4-168.8-38.100113.6F178 Q179 L180F178-Q182 HydrophobicContact CD1-CG 4.27Å; F178-Q182 HydrophobicContact CE1-CG 3.84Å; F178-Q182 HydrophobicContact CZ-CG 3.97Å; F178-Q182 VanDerWaalsContact CZ-NE2 3.31Å; F178-Q182 WeakPolarHBondContact O-CG 3.49Å; F178-Q182 PolarHBondContact O-N 3.12Å; Q179-Q182 PolarHBondContact O-N 3.44Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 3.35Å
183L67.8Low59.7Low21 Ų2171.9 Ų71.911%0.1139%0.392CS..Hα-helixtrans-74.3-39.1178.4-168.676.3000111.9Q179 L180 V181 P204 Q208 C209 V213Q179-L183 PolarHBondContact O-N 2.87Å; Q179-L183 VanDerWaalsContact O-N 3.17Å; L180-L183 WeakPolarHBondContact O-CA 3.5Å; L180-L183 VanDerWaalsContact O-CB 3.25Å; L180-L183 WeakPolarHBondContact O-CB 3.34Å; L180-L183 PolarHBondContact O-N 3.25Å; V181-L183 PolarHBondContact O-N 2.88Å; L183-P204 HydrophobicContact CD1-CB 3.4Å; L183-P204 HydrophobicContact CD1-CG 3.99Å; L183-P204 HydrophobicContact CD2-CB 4.44Å; L183-P204 HydrophobicContact CD2-CG 4.11Å; L183-P204 HydrophobicContact CG-CB 3.71Å; L183-P204 HydrophobicContact CG-CG 3.74Å; L183-Q208 HydrophobicContact CD1-CG 4.04Å; L183-C209 HydrophobicContact CD2-CB 4.02Å; L183-V213 HydrophobicContact CD2-CG2 4.33Å
184Y64.9Low59.5Low136 Ų13671 Ų7153%0.53340%0.402SS..Hα-helixtrans-93.2-24.3-177.3-72.4-75.3000114.3L180 V181 C186L180-Y184 VanDerWaalsContact O-CD2 3.26Å; L180-Y184 WeakPolarHBondContact O-CD2 3.27Å; L180-Y184 PolarHBondContact O-N 2.76Å; L180-Y184 VanDerWaalsContact O-N 3.11Å; V181-Y184 PolarHBondContact O-N 2.88Å; Y184-C186 PolarHBondContact O-N 3.42Å
185V59.7Low59Low61 Ų6170.7 Ų70.737%0.3740%0.403SS..SBendtrans-81.6114.8175.21770000108.7V181 P187 I190V181-V185 HydrophobicContact CG1-CG2 3.66Å; V181-V185 VanDerWaalsContact O-CB 3.24Å; V181-V185 WeakPolarHBondContact O-CB 3.26Å; V181-V185 WeakPolarHBondContact O-CG2 3.46Å; V181-V185 PolarHBondContact O-N 3.26Å; V185-P187 VanDerWaalsContact O-CD 3.23Å; V185-P187 WeakPolarHBondContact O-CD 3.35Å; V185-I190 HydrophobicContact CG1-CD1 3.87Å; V185-I190 HydrophobicContact CG1-CG1 4.2Å
186C55.3Low58Low21 Ų2180.2 Ų80.214%0.14244%0.443CS..  trans-57.8117.4172.8178.90000110Y184 L188 C189Y184-C186 PolarHBondContact O-N 3.42Å; C186-L188 PolarHBondContact O-N 2.79Å; C186-L188 VanDerWaalsContact O-N 3.13Å; C186-L188 PolarHBondContact SG-N 2.82Å; C186-C189 HydrophobicContact CB-CB 4Å; C186-C189 VanDerWaalsContact CB-SG 3.51Å; C186-C189 WeakPolarHBondContact O-CB 3.41Å; C186-C189 PolarHBondContact O-N 3.31Å
187P51Low56.8Low63 Ų6383.1 Ų83.141%0.40946%0.46SS..Hα-helixtrans-59.5-25.7177.1-22.332.7000112.7V185 I190V185-P187 VanDerWaalsContact O-CD 3.23Å; V185-P187 WeakPolarHBondContact O-CD 3.35Å; P187-I190 PolarHBondContact O-N 3.15Å
188L46.2Very low55.7Low82 Ų8288.6 Ų88.643%0.42949%0.485SS..Hα-helixtrans-77.3-24.5176.9-60170.8000112.6C186 I190 L191C186-L188 PolarHBondContact O-N 2.79Å; C186-L188 VanDerWaalsContact O-N 3.13Å; C186-L188 PolarHBondContact SG-N 2.82Å; L188-I190 PolarHBondContact O-N 3.2Å; L188-L191 HydrophobicContact CD2-CD1 4.43Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-O 3.12Å
189C55Low54.8Low88 Ų8888 Ų8860%0.59549%0.491SS*.Hα-helixtrans-72.1-16.4173.3-67.30000112.9C186C186-C189 HydrophobicContact CB-CB 4Å; C186-C189 VanDerWaalsContact CB-SG 3.51Å; C186-C189 WeakPolarHBondContact O-CB 3.41Å; C186-C189 PolarHBondContact O-N 3.31Å
190I51.6Low53.8Low129 Ų12991.1 Ų91.166%0.66252%0.52SS*.Hα-helixtrans-85.7-25.8172.3-59.8173.4000110.6V185 P187 L188 G192V185-I190 HydrophobicContact CG1-CD1 3.87Å; V185-I190 HydrophobicContact CG1-CG1 4.2Å; P187-I190 PolarHBondContact O-N 3.15Å; L188-I190 PolarHBondContact O-N 3.2Å; I190-G192 PolarHBondContact O-N 3.03Å
191L48.1Very low52.7Low68 Ų6893 Ų9336%0.35653%0.53SS..SBendtrans-91.294.4-178-71.8166000109L188 G193L188-L191 HydrophobicContact CD2-CD1 4.43Å; L188-L191 PolarHBondContact O-N 2.81Å; L188-L191 VanDerWaalsContact O-O 3.12Å; L191-G193 VanDerWaalsContact C-N 3.34Å; L191-G193 PolarHBondContact O-N 3.33Å
192G42.8Very low52Low91 Ų9192.4 Ų92.494%0.93853%0.525SS*.  trans-46.899.6165.900000110.6I190I190-G192 PolarHBondContact O-N 3.03Å
193G46.2Very low51.8Low48 Ų4890.6 Ų90.650%0.49552%0.516SS..  trans-162.7113.7-178.200000105.8L191 E195L191-G193 VanDerWaalsContact C-N 3.34Å; L191-G193 PolarHBondContact O-N 3.33Å; G193-E195 PolarHBondContact O-N 3.45Å
194N44.8Very low51.6Low176 Ų17690.7 Ų90.794%0.94152%0.517SS*.  trans-6223.7-170.730.4-49.7000115.2
195E49.5Very low52Low162 Ų16284.5 Ų84.576%0.75749%0.494SS*.  trans-89.4104.6169.1-157.4171.7-163.100108.2G193 V197G193-E195 PolarHBondContact O-N 3.45Å; E195-V197 HydrophobicContact CB-CG2 4.42Å; E195-V197 HydrophobicContact CG-CG2 4.06Å; E195-V197 PolarHBondContact O-N 3.3Å
196K43Very low52.8Low207 Ų20785.7 Ų85.790%0.950%0.498SS*.  trans-66.768.3166.3-68.4-178-179.3179.80108.7E198K196-E198 PolarHBondContact O-N 2.83Å
197V48.7Very low54Low66 Ų6688.9 Ų88.940%0.452%0.521SS..  trans-60.9129157-172.70000104.5E195 A199 L202E195-V197 HydrophobicContact CB-CG2 4.42Å; E195-V197 HydrophobicContact CG-CG2 4.06Å; E195-V197 PolarHBondContact O-N 3.3Å; V197-A199 PolarHBondContact O-N 2.99Å; V197-L202 HydrophobicContact CG1-CD1 3.59Å
198E46.7Very low55.3Low153 Ų15389.1 Ų89.172%0.71552%0.516SS*.  trans-58.980.7172.7-74.6-179.616000109.1K196 A200 N201K196-E198 PolarHBondContact O-N 2.83Å; E198-A200 PolarHBondContact O-N 2.89Å; E198-A200 VanDerWaalsContact O-N 3.08Å; E198-N201 PolarHBondContact O-N 3.46Å
199A49Very low56.9Low46 Ų4685.6 Ų85.638%0.3850%0.498SS..G310 helixtrans-61.8-19.8-173.600000112V197 N201V197-A199 PolarHBondContact O-N 2.99Å; A199-N201 PolarHBondContact O-N 3.33Å
200A49.7Very low58.3Low87 Ų8783.9 Ų83.972%0.71948%0.483SS*.G310 helixtrans-63.7-19.9179.200000114E198E198-A200 PolarHBondContact O-N 2.89Å; E198-A200 VanDerWaalsContact O-N 3.08Å
201N50.4Low59.8Low78 Ų7881.2 Ų81.242%0.41748%0.476SS..G310 helixtrans-113.39.8-174.3-67.6-32.6000114.2E198 A199 F203E198-N201 PolarHBondContact O-N 3.46Å; A199-N201 PolarHBondContact O-N 3.33Å; N201-F203 PolarHBondContact O-N 2.97Å
202L55.1Low61.5Low43 Ų4378.8 Ų78.823%0.22546%0.464CS..  trans-91.193.3-177.6-81.8142.6000110.7V197 L376V197-L202 HydrophobicContact CG1-CD1 3.59Å; L202-L376 HydrophobicContact CD2-CD1 3.6Å; L202-L376 HydrophobicContact CD2-CD2 4.42Å; L202-L376 HydrophobicContact CD2-CG 3.61Å
203F61.6Low63.4Low77 Ų7774.5 Ų74.534%0.33842%0.42SS..PPolyproline II helixtrans-93.3150.2171.8-66.2-84.9000111.1N201 L364N201-F203 PolarHBondContact O-N 2.97Å; F203-L364 HydrophobicContact CB-CD1 4.31Å; F203-L364 HydrophobicContact CD1-CD2 3.84Å; F203-L364 HydrophobicContact CE1-CD2 3.98Å; F203-L364 HydrophobicContact CG-CD1 4.45Å; F203-L364 HydrophobicContact CG-CD2 4.27Å
204P65.1Low65.2Low22 Ų2274.7 Ų74.714%0.14341%0.413CS..BIsolated β-bridgetrans-57145168.728.9-39000110.1L183 N206 C209L183-P204 HydrophobicContact CD1-CB 3.4Å; L183-P204 HydrophobicContact CD1-CG 3.99Å; L183-P204 HydrophobicContact CD2-CB 4.44Å; L183-P204 HydrophobicContact CD2-CG 4.11Å; L183-P204 HydrophobicContact CG-CB 3.71Å; L183-P204 HydrophobicContact CG-CG 3.74Å; P204-N206 PolarHBondContact O-N 2.93Å; P204-C209 HydrophobicContact CB-CB 4.38Å; P204-C209 HydrophobicContact CG-CB 4.11Å
205C71.8Confident67.1Low6 Ų670.3 Ų70.34%0.04139%0.387CS..PPolyproline II helixtrans-54.8138.3168.8-58.60000109.2S207 Q208 C209 C375C205-S207 PolarHBondContact O-N 3.29Å; C205-S207 VanDerWaalsContact O-N 3.13Å; C205-Q208 HydrophobicContact CB-CB 4.29Å; C205-Q208 WeakPolarHBondContact O-CA 3.22Å; C205-Q208 WeakPolarHBondContact O-CB 3.33Å; C205-Q208 PolarHBondContact O-N 2.89Å; C205-C209 PolarHBondContact O-N 3.39Å; C205-C375 HydrophobicContact CB-CB 3.72Å; C205-C375 WeakPolarHBondContact CB-SG 3.14Å; C205-C375 VanDerWaalsContact SG-C 3.57Å; C205-C375 WeakPolarHBondContact SG-CB 3.5Å; C205-C375 CovalentContact SG-SG 2.04Å; C205-C375 PolarHBondContact SG-SG 3.36Å
206N78.4Confident68.7Low87 Ų8762.7 Ų62.747%0.46535%0.352SS..Hα-helixtrans-51-42.6-178.5-172.620.3000112.1P204 Q208 C209 L210 C362P204-N206 PolarHBondContact O-N 2.93Å; N206-Q208 VanDerWaalsContact C-N 3.35Å; N206-Q208 PolarHBondContact O-N 2.93Å; N206-C209 PolarHBondContact O-N 3.47Å; N206-L210 WeakPolarHBondContact O-CB 3.49Å; N206-L210 WeakPolarHBondContact O-CG 3.25Å; N206-L210 PolarHBondContact O-N 3.37Å; N206-C362 PolarHBondContact OD1-O 2.85Å
207S79.2Confident70.6Confident87 Ų8753.3 Ų53.361%0.60831%0.312SS*.Hα-helixtrans-62.8-36.4176.157.20000114.1C205 S211C205-S207 PolarHBondContact O-N 3.29Å; C205-S207 VanDerWaalsContact O-N 3.13Å; S207-S211 WeakPolarHBondContact O-CB 3.37Å; S207-S211 PolarHBondContact O-N 3.4Å
208Q78.2Confident72.2Confident69 Ų6957 Ų5732%0.32232%0.324SS..Hα-helixtrans-72-41.7176.2-173.961.447.200110.8L183 C205 N206 S211 T212L183-Q208 HydrophobicContact CD1-CG 4.04Å; C205-Q208 HydrophobicContact CB-CB 4.29Å; C205-Q208 WeakPolarHBondContact O-CA 3.22Å; C205-Q208 WeakPolarHBondContact O-CB 3.33Å; C205-Q208 PolarHBondContact O-N 2.89Å; N206-Q208 VanDerWaalsContact C-N 3.35Å; N206-Q208 PolarHBondContact O-N 2.93Å; Q208-S211 PolarHBondContact O-N 2.98Å; Q208-T212 PolarHBondContact NE2-OG1 2.91Å; Q208-T212 WeakPolarHBondContact O-CB 3.39Å; Q208-T212 PolarHBondContact O-N 3.09Å; Q208-T212 PolarHBondContact O-OG1 3.43Å; Q208-T212 VanDerWaalsContact O-OG1 3.07Å
209C81.2Confident73.7Confident7 Ų753.8 Ų53.85%0.04731%0.308CS..Hα-helixtrans-57.7-55.3173-177.60000110.6L183 P204 C205 N206 S211 T212 V213 C362L183-C209 HydrophobicContact CD2-CB 4.02Å; P204-C209 HydrophobicContact CB-CB 4.38Å; P204-C209 HydrophobicContact CG-CB 4.11Å; C205-C209 PolarHBondContact O-N 3.39Å; N206-C209 PolarHBondContact O-N 3.47Å; C209-S211 VanDerWaalsContact C-N 3.31Å; C209-S211 PolarHBondContact O-N 3.23Å; C209-T212 PolarHBondContact O-N 3.39Å; C209-T212 VanDerWaalsContact O-N 3.15Å; C209-V213 WeakPolarHBondContact O-CB 3.41Å; C209-V213 VanDerWaalsContact O-CG2 3.3Å; C209-V213 WeakPolarHBondContact O-CG2 3.43Å; C209-V213 PolarHBondContact O-N 3.03Å; C209-C362 HydrophobicContact CB-CB 3.8Å; C209-C362 WeakPolarHBondContact CB-SG 3.01Å; C209-C362 PolarHBondContact O-SG 3.38Å; C209-C362 WeakPolarHBondContact SG-CA 3.35Å; C209-C362 WeakPolarHBondContact SG-CB 3.21Å; C209-C362 CovalentContact SG-SG 2.04Å; C209-C362 PolarHBondContact SG-SG 2.93Å
210L83.7Confident75Confident53 Ų5353.6 Ų53.628%0.27730%0.299SS..Hα-helixtrans-57.1-44.7-178.6-74.3170.4000111.5N206 S214 P358 E359 C362N206-L210 WeakPolarHBondContact O-CB 3.49Å; N206-L210 WeakPolarHBondContact O-CG 3.25Å; N206-L210 PolarHBondContact O-N 3.37Å; L210-S214 WeakPolarHBondContact O-CB 3.19Å; L210-S214 PolarHBondContact O-N 3.46Å; L210-S214 PolarHBondContact O-OG 3.29Å; L210-P358 HydrophobicContact CD2-CB 4.19Å; L210-E359 HydrophobicContact CD2-CG 4.39Å; L210-C362 HydrophobicContact CD2-CB 3.72Å; L210-C362 HydrophobicContact CG-CB 3.9Å; L210-C362 PolarHBondContact N-SG 3.35Å
211S83.6Confident76.4Confident72 Ų7251.5 Ų51.550%0.50327%0.274SS..Hα-helixtrans-62.8-46.3177.7-176.50000112.3S207 Q208 C209 E215S207-S211 WeakPolarHBondContact O-CB 3.37Å; S207-S211 PolarHBondContact O-N 3.4Å; Q208-S211 PolarHBondContact O-N 2.98Å; C209-S211 VanDerWaalsContact C-N 3.31Å; C209-S211 PolarHBondContact O-N 3.23Å; S211-E215 PolarHBondContact O-N 3.42Å; S211-E215 VanDerWaalsContact O-N 3.08Å
212T82.5Confident77.8Confident17 Ų1750.6 Ų50.610%0.10428%0.277CS..Hα-helixtrans-70.3-44-177.2-640000111.8Q179 Q208 C209 E215 C216Q179-T212 HydrophobicContact CB-CG2 3.86Å; Q208-T212 PolarHBondContact NE2-OG1 2.91Å; Q208-T212 WeakPolarHBondContact O-CB 3.39Å; Q208-T212 PolarHBondContact O-N 3.09Å; Q208-T212 PolarHBondContact O-OG1 3.43Å; Q208-T212 VanDerWaalsContact O-OG1 3.07Å; C209-T212 PolarHBondContact O-N 3.39Å; C209-T212 VanDerWaalsContact O-N 3.15Å; T212-E215 PolarHBondContact O-N 3.46Å; T212-C216 PolarHBondContact O-N 3.07Å
213V83.5Confident79Confident2 Ų251 Ų511%0.01228%0.283CS..Hα-helixtrans-67.4-40.2177.4-178.90000110.5L180 L183 C209 E215 C216 V217 P358 I361L180-V213 HydrophobicContact CD2-CG2 3.79Å; L183-V213 HydrophobicContact CD2-CG2 4.33Å; C209-V213 WeakPolarHBondContact O-CB 3.41Å; C209-V213 VanDerWaalsContact O-CG2 3.3Å; C209-V213 WeakPolarHBondContact O-CG2 3.43Å; C209-V213 PolarHBondContact O-N 3.03Å; V213-E215 PolarHBondContact O-N 2.97Å; V213-C216 WeakPolarHBondContact O-CB 3.44Å; V213-C216 PolarHBondContact O-N 2.93Å; V213-V217 HydrophobicContact CG1-CG2 4.13Å; V213-V217 VanDerWaalsContact O-CG2 3.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.34Å; V213-V217 PolarHBondContact O-N 2.86Å; V213-P358 HydrophobicContact CB-CB 4.23Å; V213-P358 HydrophobicContact CG1-CB 3.97Å; V213-P358 HydrophobicContact CG1-CG 4.19Å; V213-I361 HydrophobicContact CG1-CB 4.32Å; V213-I361 HydrophobicContact CG1-CD1 3.86Å; V213-I361 HydrophobicContact CG1-CG2 4.45Å; V213-I361 HydrophobicContact CG2-CG2 4.02Å
214S84.7Confident79.9Confident51 Ų5148 Ų4836%0.35727%0.27SS..Hα-helixtrans-61.9-43.6176.3-62.10000112.3L210 C216 V217 Q218 P358L210-S214 WeakPolarHBondContact O-CB 3.19Å; L210-S214 PolarHBondContact O-N 3.46Å; L210-S214 PolarHBondContact O-OG 3.29Å; S214-C216 VanDerWaalsContact C-N 3.31Å; S214-C216 PolarHBondContact O-N 3.15Å; S214-V217 PolarHBondContact O-N 3.43Å; S214-Q218 WeakPolarHBondContact O-CB 3.43Å; S214-Q218 PolarHBondContact O-N 3.15Å; S214-P358 WeakPolarHBondContact OG-CB 3.33Å; S214-P358 WeakPolarHBondContact OG-CG 3.42Å
215E83Confident80.7Confident84 Ų8449.4 Ų49.439%0.39328%0.275SS..Hα-helixtrans-62.5-39.8175.6-165.7-164140.200111.3Q179 S211 T212 V213 K219Q179-E215 PolarHBondContact NE2-OE1 3.3Å; S211-E215 PolarHBondContact O-N 3.42Å; S211-E215 VanDerWaalsContact O-N 3.08Å; T212-E215 PolarHBondContact O-N 3.46Å; V213-E215 PolarHBondContact O-N 2.97Å; E215-K219 WeakPolarHBondContact O-CG 3.5Å; E215-K219 PolarHBondContact O-N 3.22Å; E215-K219 WeakPolarHBondContact OE1-CE 3.47Å; E215-K219 IonicContact OE1-NZ 3.44Å; E215-K219 PolarHBondContact OE1-NZ 2.96Å
216C82.8Confident81.3Confident3 Ų355.1 Ų55.12%0.0230%0.301CS..Hα-helixtrans-62.2-50.6173.2163.80000111.7C176 T212 V213 S214 Q218 K219 F220C176-C216 HydrophobicContact CB-CB 3.7Å; C176-C216 WeakPolarHBondContact CB-SG 3.45Å; C176-C216 WeakPolarHBondContact SG-CB 3.27Å; C176-C216 CovalentContact SG-SG 2Å; C176-C216 PolarHBondContact SG-SG 3.41Å; T212-C216 PolarHBondContact O-N 3.07Å; V213-C216 WeakPolarHBondContact O-CB 3.44Å; V213-C216 PolarHBondContact O-N 2.93Å; S214-C216 VanDerWaalsContact C-N 3.31Å; S214-C216 PolarHBondContact O-N 3.15Å; C216-Q218 VanDerWaalsContact C-N 3.3Å; C216-Q218 PolarHBondContact O-N 3.27Å; C216-K219 WeakPolarHBondContact O-CB 3.42Å; C216-K219 PolarHBondContact O-N 2.8Å; C216-F220 VanDerWaalsContact O-CD1 3.28Å; C216-F220 WeakPolarHBondContact O-CD1 3.42Å
217V83Confident81.5Confident10 Ų1051.7 Ų51.76%0.06128%0.284CS..Hα-helixtrans-59-43.8-178.1172.30000111V213 S214 K219 F220 H221 V357 P358V213-V217 HydrophobicContact CG1-CG2 4.13Å; V213-V217 VanDerWaalsContact O-CG2 3.31Å; V213-V217 WeakPolarHBondContact O-CG2 3.34Å; V213-V217 PolarHBondContact O-N 2.86Å; S214-V217 PolarHBondContact O-N 3.43Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 2.93Å; V217-F220 HydrophobicContact CB-CE1 4.15Å; V217-F220 HydrophobicContact CB-CZ 4.09Å; V217-F220 HydrophobicContact CG1-CE1 4.5Å; V217-F220 HydrophobicContact CG1-CE2 4.39Å; V217-F220 HydrophobicContact CG1-CZ 3.98Å; V217-F220 HydrophobicContact CG2-CE1 4Å; V217-F220 HydrophobicContact CG2-CZ 3.88Å; V217-F220 PolarHBondContact O-N 3.01Å; V217-H221 WeakPolarHBondContact O-CB 3.37Å; V217-H221 PolarHBondContact O-N 3.47Å; V217-V357 HydrophobicContact CG2-CB 4.17Å; V217-V357 HydrophobicContact CG2-CG1 3.82Å; V217-P358 HydrophobicContact CB-CG 4.44Å; V217-P358 HydrophobicContact CG2-CG 4.13Å
218Q83.3Confident81.7Confident142 Ų14250.3 Ų50.366%0.66427%0.265SS*.Hα-helixtrans-59.4-36.5179.7-169174.69.800113S214 C216 F220 H221 A222S214-Q218 WeakPolarHBondContact O-CB 3.43Å; S214-Q218 PolarHBondContact O-N 3.15Å; C216-Q218 VanDerWaalsContact C-N 3.3Å; C216-Q218 PolarHBondContact O-N 3.27Å; Q218-F220 VanDerWaalsContact C-N 3.33Å; Q218-F220 PolarHBondContact O-N 3.29Å; Q218-H221 PolarHBondContact O-N 2.72Å; Q218-A222 PolarHBondContact O-N 3.48Å
219K78.6Confident82.1Confident87 Ų8749.6 Ų49.638%0.37826%0.263SS..Hα-helixtrans-62.8-35.8-179.5-74.6168.9-174.6164.50113.2K174 Q179 E215 C216 V217K174-K219 PolarHBondContact O-NZ 2.93Å; Q179-K219 VanDerWaalsContact NE2-NZ 3.15Å; E215-K219 WeakPolarHBondContact O-CG 3.5Å; E215-K219 PolarHBondContact O-N 3.22Å; E215-K219 WeakPolarHBondContact OE1-CE 3.47Å; E215-K219 IonicContact OE1-NZ 3.44Å; E215-K219 PolarHBondContact OE1-NZ 2.96Å; C216-K219 WeakPolarHBondContact O-CB 3.42Å; C216-K219 PolarHBondContact O-N 2.8Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 2.93Å
220F75.7Confident82.3Confident42 Ų4252.4 Ų52.418%0.18428%0.276CS..Hα-helixtrans-98.9-22.7177.369.7-104.6000113.1W160 C216 V217 Q218 A222 P223 L224 L354W160-F220 HydrophobicContact CZ2-CE1 4.37Å; W160-F220 AromaticContact NE1-CD1 3.95Å; C216-F220 VanDerWaalsContact O-CD1 3.28Å; C216-F220 WeakPolarHBondContact O-CD1 3.42Å; V217-F220 HydrophobicContact CB-CE1 4.15Å; V217-F220 HydrophobicContact CB-CZ 4.09Å; V217-F220 HydrophobicContact CG1-CE1 4.5Å; V217-F220 HydrophobicContact CG1-CE2 4.39Å; V217-F220 HydrophobicContact CG1-CZ 3.98Å; V217-F220 HydrophobicContact CG2-CE1 4Å; V217-F220 HydrophobicContact CG2-CZ 3.88Å; V217-F220 PolarHBondContact O-N 3.01Å; Q218-F220 VanDerWaalsContact C-N 3.33Å; Q218-F220 PolarHBondContact O-N 3.29Å; F220-A222 PolarHBondContact O-N 2.79Å; F220-P223 WeakPolarHBondContact O-CD 3.44Å; F220-L224 HydrophobicContact CD2-CD2 4.41Å; F220-L224 WeakPolarHBondContact O-CB 3.26Å; F220-L224 PolarHBondContact O-N 3.43Å; F220-L354 HydrophobicContact CE2-CD2 3.89Å
221H79.8Confident82.2Confident42 Ų4250.5 Ų50.519%0.19427%0.268CS..Hα-helixtrans-57.7-48.1178.3174.3-89.4000111.3V217 Q218 L224 H225 L354V217-H221 WeakPolarHBondContact O-CB 3.37Å; V217-H221 PolarHBondContact O-N 3.47Å; Q218-H221 PolarHBondContact O-N 2.72Å; H221-L224 PolarHBondContact O-N 3.28Å; H221-H225 AromaticContact CE1-CG 3.91Å; H221-H225 WeakPolarHBondContact O-CA 3.45Å; H221-H225 WeakPolarHBondContact O-CB 3.35Å; H221-H225 PolarHBondContact O-N 3.46Å; H221-L354 WeakPolarHBondContact CD2-CD1 3.5Å
222A79.3Confident82.2Confident59 Ų5947.8 Ų47.849%0.48825%0.247SC..Hα-helixtrans-60.5-53.7-173.500000113.6Q218 F220 L224 H225 E226Q218-A222 PolarHBondContact O-N 3.48Å; F220-A222 PolarHBondContact O-N 2.79Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 2.88Å; A222-H225 PolarHBondContact O-N 2.97Å; A222-E226 WeakPolarHBondContact O-CB 3.23Å; A222-E226 PolarHBondContact O-N 2.79Å
223P79.3Confident82.4Confident52 Ų5250.5 Ų50.534%0.33826%0.259SS..Hα-helixtrans-64.7-36.8177.8-21.632.9000113.5L156 F220 S227L156-P223 HydrophobicContact CD1-CB 4.22Å; L156-P223 HydrophobicContact CD2-CB 4.32Å; F220-P223 WeakPolarHBondContact O-CD 3.44Å; P223-S227 PolarHBondContact O-N 2.77Å; P223-S227 PolarHBondContact O-OG 3.28Å
224L80.2Confident82.4Confident14 Ų1450.6 Ų50.67%0.07326%0.259CS..Hα-helixtrans-71-41.1-179.1-176.561.6000111.6I153 F220 H221 A222 S227 W228 F350 L354I153-L224 HydrophobicContact CB-CD1 4.35Å; I153-L224 HydrophobicContact CG1-CD1 4.2Å; I153-L224 HydrophobicContact CG2-CD1 3.62Å; F220-L224 HydrophobicContact CD2-CD2 4.41Å; F220-L224 WeakPolarHBondContact O-CB 3.26Å; F220-L224 PolarHBondContact O-N 3.43Å; H221-L224 PolarHBondContact O-N 3.28Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 2.88Å; L224-S227 PolarHBondContact O-N 3.49Å; L224-W228 VanDerWaalsContact O-CB 3.26Å; L224-W228 WeakPolarHBondContact O-CB 3.01Å; L224-W228 PolarHBondContact O-N 2.86Å; L224-F350 HydrophobicContact CD1-CZ 4.49Å; L224-F350 HydrophobicContact CD2-CE1 4.34Å; L224-F350 HydrophobicContact CD2-CZ 3.66Å; L224-F350 HydrophobicContact CG-CE1 4.03Å; L224-F350 HydrophobicContact CG-CZ 3.68Å; L224-L354 HydrophobicContact CD2-CD1 4.43Å
225H83Confident82.3Confident52 Ų5252 Ų5224%0.24126%0.262CS..Hα-helixtrans-64.7-40176.1-174.271.5000111.5H221 A222 W228 N229H221-H225 AromaticContact CE1-CG 3.91Å; H221-H225 WeakPolarHBondContact O-CA 3.45Å; H221-H225 WeakPolarHBondContact O-CB 3.35Å; H221-H225 PolarHBondContact O-N 3.46Å; A222-H225 PolarHBondContact O-N 2.97Å; H225-W228 PolarHBondContact O-N 3.45Å; H225-N229 PolarHBondContact CD2-ND2 3.11Å; H225-N229 PolarHBondContact NE2-ND2 3.2Å; H225-N229 WeakPolarHBondContact O-CB 3.27Å; H225-N229 PolarHBondContact O-N 3.38Å; H225-N229 PolarHBondContact O-ND2 2.97Å
226E84.3Confident82.3Confident126 Ų12649.9 Ų49.959%0.58925%0.252SS*.Hα-helixtrans-60.6-51.2173.2-176.2171.6-163.800111.5A222 W228 N229 E230A222-E226 WeakPolarHBondContact O-CB 3.23Å; A222-E226 PolarHBondContact O-N 2.79Å; E226-W228 VanDerWaalsContact C-N 3.31Å; E226-W228 PolarHBondContact O-N 3.37Å; E226-N229 PolarHBondContact O-N 3.32Å; E226-E230 PolarHBondContact O-N 3.22Å
227S82.9Confident82.3Confident15 Ų1552.2 Ų52.211%0.10526%0.262CS..Hα-helixtrans-61.5-39.1178.2-54.20000112.2I149 L156 P223 L224 E230 A231I149-S227 VanDerWaalsContact CG2-O 3.29Å; I149-S227 WeakPolarHBondContact CG2-O 3.32Å; L156-S227 WeakPolarHBondContact CD1-OG 3.46Å; P223-S227 PolarHBondContact O-N 2.77Å; P223-S227 PolarHBondContact O-OG 3.28Å; L224-S227 PolarHBondContact O-N 3.49Å; S227-E230 PolarHBondContact O-N 2.63Å; S227-A231 PolarHBondContact O-N 2.96Å
228W83.8Confident82.3Confident58 Ų5853.9 Ų53.922%0.2227%0.269CS..Hα-helixtrans-64.5-43.4176178.2-96.8000112.2L224 H225 E226 E230 A231 M232 M346 F350L224-W228 VanDerWaalsContact O-CB 3.26Å; L224-W228 WeakPolarHBondContact O-CB 3.01Å; L224-W228 PolarHBondContact O-N 2.86Å; H225-W228 PolarHBondContact O-N 3.45Å; E226-W228 VanDerWaalsContact C-N 3.31Å; E226-W228 PolarHBondContact O-N 3.37Å; W228-E230 VanDerWaalsContact C-N 3.32Å; W228-E230 PolarHBondContact O-N 3.16Å; W228-A231 WeakPolarHBondContact O-CB 3.26Å; W228-A231 PolarHBondContact O-N 3.03Å; W228-M232 HydrophobicContact CH2-CE 4.03Å; W228-M232 HydrophobicContact CZ2-CE 3.84Å; W228-M232 HydrophobicContact CZ2-SD 4.21Å; W228-M232 HydrophobicContact CZ3-CE 4.42Å; W228-M232 WeakPolarHBondContact O-CG 3.27Å; W228-M232 PolarHBondContact O-N 3.47Å; W228-M346 HydrophobicContact CZ2-CB 4.43Å; W228-F350 HydrophobicContact CB-CD1 4.06Å; W228-F350 HydrophobicContact CB-CE1 4Å; W228-F350 AromaticContact CD1-CD1 3.77Å; W228-F350 AromaticContact CD1-CG 3.9Å; W228-F350 HydrophobicContact CD2-CB 4.47Å; W228-F350 HydrophobicContact CD2-CD1 4.28Å; W228-F350 HydrophobicContact CD2-CD2 4.25Å; W228-F350 HydrophobicContact CD2-CG 4.07Å; W228-F350 HydrophobicContact CG-CB 4.42Å; W228-F350 AromaticContact CG-CD1 3.75Å; W228-F350 HydrophobicContact CG-CD1 3.75Å; W228-F350 HydrophobicContact CG-CE1 4.12Å; W228-F350 AromaticContact CG-CG 3.99Å; W228-F350 HydrophobicContact CG-CG 3.99Å; W228-F350 AromaticContact NE1-CG 3.92Å
229N85.8Confident82.2Confident53 Ų5349.4 Ų49.428%0.28325%0.251SS..Hα-helixtrans-65-38.5177.4-73-24.9000111.7H225 E226 M232 H233 S347H225-N229 PolarHBondContact CD2-ND2 3.11Å; H225-N229 PolarHBondContact NE2-ND2 3.2Å; H225-N229 WeakPolarHBondContact O-CB 3.27Å; H225-N229 PolarHBondContact O-N 3.38Å; H225-N229 PolarHBondContact O-ND2 2.97Å; E226-N229 PolarHBondContact O-N 3.32Å; N229-M232 PolarHBondContact O-N 3.5Å; N229-H233 WeakPolarHBondContact O-CB 3.48Å; N229-H233 PolarHBondContact O-N 3.2Å; N229-S347 WeakPolarHBondContact OD1-CB 3.32Å; N229-S347 PolarHBondContact OD1-OG 3.47Å
230E84.8Confident82.3Confident67 Ų6746.2 Ų46.231%0.31324%0.239SC..Hα-helixtrans-63.3-43.4173.4-169.456-144.200111.1I149 E226 S227 W228 M232 H233 V234I149-E230 HydrophobicContact CD1-CB 4.49Å; I149-E230 HydrophobicContact CD1-CG 3.95Å; E226-E230 PolarHBondContact O-N 3.22Å; S227-E230 PolarHBondContact O-N 2.63Å; W228-E230 VanDerWaalsContact C-N 3.32Å; W228-E230 PolarHBondContact O-N 3.16Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 3.23Å; E230-H233 WeakPolarHBondContact O-CB 3.44Å; E230-H233 PolarHBondContact O-N 3.34Å; E230-H233 VanDerWaalsContact O-N 3.12Å; E230-H233 IonicContact OE1-CD2 3.66Å; E230-V234 WeakPolarHBondContact O-CG2 3.46Å; E230-V234 PolarHBondContact O-N 3.27Å
231A82.3Confident82.3Confident13 Ų1345.4 Ų45.411%0.10724%0.238CC..Hα-helixtrans-56.2-46.9174.400000111.9I149 S227 W228 H233 V234 L235I149-A231 HydrophobicContact CG2-CB 3.69Å; S227-A231 PolarHBondContact O-N 2.96Å; W228-A231 WeakPolarHBondContact O-CB 3.26Å; W228-A231 PolarHBondContact O-N 3.03Å; A231-H233 VanDerWaalsContact C-N 3.3Å; A231-H233 PolarHBondContact O-N 3.14Å; A231-V234 PolarHBondContact O-N 2.95Å; A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 WeakPolarHBondContact O-CG 3.42Å; A231-L235 PolarHBondContact O-N 3.08Å
232M84.4Confident82.1Confident14 Ų1444.9 Ų44.97%0.06924%0.237CC..Hα-helixtrans-64.7-35.4178.5-70.1-55.1103.800112.2W228 N229 E230 L235 Q236 A343 M346W228-M232 HydrophobicContact CH2-CE 4.03Å; W228-M232 HydrophobicContact CZ2-CE 3.84Å; W228-M232 HydrophobicContact CZ2-SD 4.21Å; W228-M232 HydrophobicContact CZ3-CE 4.42Å; W228-M232 WeakPolarHBondContact O-CG 3.27Å; W228-M232 PolarHBondContact O-N 3.47Å; N229-M232 PolarHBondContact O-N 3.5Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 3.23Å; M232-L235 HydrophobicContact CE-CD1 3.63Å; M232-L235 HydrophobicContact SD-CD1 4.47Å; M232-Q236 VanDerWaalsContact O-CB 3.31Å; M232-Q236 WeakPolarHBondContact O-CB 3.35Å; M232-Q236 PolarHBondContact O-N 2.96Å; M232-A343 HydrophobicContact CB-CB 4.24Å; M232-M346 HydrophobicContact SD-CB 3.89Å; M232-M346 HydrophobicContact SD-CE 4.38Å; M232-M346 HydrophobicContact SD-SD 3.92Å
233H85.2Confident81.8Confident75 Ų7542.6 Ų42.635%0.34722%0.217SC..Hα-helixtrans-68.6-44.3176.9-176.660.9000112.5N229 E230 A231 Q236 K237N229-H233 WeakPolarHBondContact O-CB 3.48Å; N229-H233 PolarHBondContact O-N 3.2Å; E230-H233 WeakPolarHBondContact O-CB 3.44Å; E230-H233 PolarHBondContact O-N 3.34Å; E230-H233 VanDerWaalsContact O-N 3.12Å; E230-H233 IonicContact OE1-CD2 3.66Å; A231-H233 VanDerWaalsContact C-N 3.3Å; A231-H233 PolarHBondContact O-N 3.14Å; H233-Q236 PolarHBondContact O-N 3.46Å; H233-K237 VanDerWaalsContact CE1-CE 3.48Å; H233-K237 WeakPolarHBondContact CE1-CE 3.36Å; H233-K237 VanDerWaalsContact NE2-CE 3.29Å; H233-K237 WeakPolarHBondContact NE2-CE 3.41Å; H233-K237 PolarHBondContact NE2-NZ 2.83Å; H233-K237 WeakPolarHBondContact O-CB 3.11Å; H233-K237 WeakPolarHBondContact O-CG 3.34Å; H233-K237 PolarHBondContact O-N 2.96Å
234V82.9Confident81.3Confident4 Ų445.7 Ų45.72%0.02423%0.227CC..Hα-helixtrans-60.6-46.4174.4171.40000110.6F142 E145 I149 E230 A231 Q236 K237 F238F142-V234 HydrophobicContact CD1-CG1 3.83Å; F142-V234 HydrophobicContact CE1-CG1 4.42Å; E145-V234 HydrophobicContact CB-CG1 4.16Å; E145-V234 HydrophobicContact CG-CG1 3.96Å; E145-V234 HydrophobicContact CG-CG2 3.88Å; I149-V234 HydrophobicContact CD1-CB 4.23Å; I149-V234 HydrophobicContact CD1-CG2 3.69Å; E230-V234 WeakPolarHBondContact O-CG2 3.46Å; E230-V234 PolarHBondContact O-N 3.27Å; A231-V234 PolarHBondContact O-N 2.95Å; V234-Q236 PolarHBondContact O-N 3.41Å; V234-K237 PolarHBondContact O-N 3.29Å; V234-F238 WeakPolarHBondContact O-CB 3.25Å; V234-F238 PolarHBondContact O-N 2.75Å
235L82.7Confident80.7Confident79 Ų7947.8 Ų47.841%0.41423%0.234SC..Hα-helixtrans-62.3-43.4176.2-74172.7000112.4A231 M232 F238 V239A231-L235 WeakPolarHBondContact O-CB 3.38Å; A231-L235 WeakPolarHBondContact O-CG 3.42Å; A231-L235 PolarHBondContact O-N 3.08Å; M232-L235 HydrophobicContact CE-CD1 3.63Å; M232-L235 HydrophobicContact SD-CD1 4.47Å; L235-F238 WeakPolarHBondContact O-CB 3.45Å; L235-F238 PolarHBondContact O-N 3.19Å; L235-V239 WeakPolarHBondContact O-CG2 3.39Å; L235-V239 PolarHBondContact O-N 2.99Å
236Q84.1Confident79.9Confident40 Ų4056.4 Ų56.419%0.18727%0.265CS..Hα-helixtrans-59.5-49.7176.2176.6-172.1-2600110.8M232 H233 V234 F238 V239 V240 V339 A343M232-Q236 VanDerWaalsContact O-CB 3.31Å; M232-Q236 WeakPolarHBondContact O-CB 3.35Å; M232-Q236 PolarHBondContact O-N 2.96Å; H233-Q236 PolarHBondContact O-N 3.46Å; V234-Q236 PolarHBondContact O-N 3.41Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.02Å; Q236-V239 PolarHBondContact O-N 3.08Å; Q236-V240 HydrophobicContact CG-CG2 4.43Å; Q236-V240 WeakPolarHBondContact O-CB 2.96Å; Q236-V240 VanDerWaalsContact O-CG2 3.29Å; Q236-V240 WeakPolarHBondContact O-CG2 3.13Å; Q236-V240 PolarHBondContact O-N 2.72Å; Q236-V339 HydrophobicContact CB-CG1 4.12Å; Q236-V339 HydrophobicContact CG-CG1 3.92Å; Q236-A343 HydrophobicContact CB-CB 4.3Å
237K82.6Confident79.3Confident53 Ų5354.3 Ų54.323%0.2325%0.251CS..Hα-helixtrans-59.7-42.7178.1-80-178.5171.3176.90111.6F142 H233 V234 S241F142-K237 HydrophobicContact CE1-CB 3.92Å; F142-K237 HydrophobicContact CZ-CB 4.42Å; H233-K237 VanDerWaalsContact CE1-CE 3.48Å; H233-K237 WeakPolarHBondContact CE1-CE 3.36Å; H233-K237 VanDerWaalsContact NE2-CE 3.29Å; H233-K237 WeakPolarHBondContact NE2-CE 3.41Å; H233-K237 PolarHBondContact NE2-NZ 2.83Å; H233-K237 WeakPolarHBondContact O-CB 3.11Å; H233-K237 WeakPolarHBondContact O-CG 3.34Å; H233-K237 PolarHBondContact O-N 2.96Å; V234-K237 PolarHBondContact O-N 3.29Å; K237-S241 WeakPolarHBondContact O-CB 3.46Å; K237-S241 PolarHBondContact O-N 3.42Å
238F83.3Confident78.9Confident45 Ų4554.3 Ų54.320%0.19725%0.252CS..Hα-helixtrans-56.2-56.2176.2176.2-117.4000111V139 F142 V234 L235 Q236 V240 S241 N242V139-F238 HydrophobicContact CB-CE2 4.33Å; V139-F238 HydrophobicContact CG1-CE2 4.12Å; V139-F238 HydrophobicContact CG1-CZ 4.1Å; V139-F238 HydrophobicContact CG2-CE2 4.1Å; V139-F238 HydrophobicContact CG2-CZ 4.45Å; F142-F238 HydrophobicContact CB-CB 4.1Å; F142-F238 HydrophobicContact CB-CD2 3.45Å; F142-F238 VanDerWaalsContact CB-CD2 3.45Å; F142-F238 HydrophobicContact CB-CE2 4.15Å; F142-F238 HydrophobicContact CB-CG 3.94Å; F142-F238 HydrophobicContact CD1-CB 3.43Å; F142-F238 VanDerWaalsContact CD1-CB 3.43Å; F142-F238 HydrophobicContact CD1-CD2 4.1Å; F142-F238 HydrophobicContact CD1-CG 4.17Å; F142-F238 AromaticContact CD2-CD2 3.78Å; F142-F238 HydrophobicContact CD2-CD2 3.78Å; F142-F238 HydrophobicContact CE1-CB 3.96Å; F142-F238 HydrophobicContact CG-CB 3.75Å; F142-F238 AromaticContact CG-CD2 3.47Å; F142-F238 HydrophobicContact CG-CD2 3.47Å; F142-F238 VanDerWaalsContact CG-CD2 3.47Å; F142-F238 HydrophobicContact CG-CE2 4.47Å; F142-F238 AromaticContact CG-CG 3.97Å; F142-F238 HydrophobicContact CG-CG 3.97Å; V234-F238 WeakPolarHBondContact O-CB 3.25Å; V234-F238 PolarHBondContact O-N 2.75Å; L235-F238 WeakPolarHBondContact O-CB 3.45Å; L235-F238 PolarHBondContact O-N 3.19Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 3.02Å; F238-V240 PolarHBondContact O-N 3.18Å; F238-S241 PolarHBondContact O-N 3.34Å; F238-N242 HydrophobicContact CE2-CB 4.31Å; F238-N242 HydrophobicContact CZ-CB 4.47Å; F238-N242 WeakPolarHBondContact O-CB 3.37Å; F238-N242 PolarHBondContact O-N 3.25Å
239V81.4Confident78.9Confident47 Ų4754.1 Ų54.129%0.28526%0.258SS..Hα-helixtrans-63.4-43.9-175.7177.90000111.2L235 Q236 S243 V339L235-V239 WeakPolarHBondContact O-CG2 3.39Å; L235-V239 PolarHBondContact O-N 2.99Å; Q236-V239 PolarHBondContact O-N 3.08Å; V239-S243 VanDerWaalsContact O-CB 3.25Å; V239-S243 WeakPolarHBondContact O-CB 3.12Å; V239-S243 PolarHBondContact O-N 2.73Å; V239-S243 PolarHBondContact O-OG 3.38Å; V239-V339 HydrophobicContact CB-CG1 4Å; V239-V339 HydrophobicContact CB-CG2 4.19Å; V239-V339 HydrophobicContact CG1-CB 4.5Å; V239-V339 HydrophobicContact CG1-CG1 4.24Å; V239-V339 HydrophobicContact CG1-CG2 3.5Å
240V79.5Confident78.9Confident21 Ų2153.8 Ų53.813%0.12726%0.256CS..Hα-helixtrans-62.1-50178.7173.40000110.8Q236 F238 S243 Q244Q236-V240 HydrophobicContact CG-CG2 4.43Å; Q236-V240 WeakPolarHBondContact O-CB 2.96Å; Q236-V240 VanDerWaalsContact O-CG2 3.29Å; Q236-V240 WeakPolarHBondContact O-CG2 3.13Å; Q236-V240 PolarHBondContact O-N 2.72Å; F238-V240 PolarHBondContact O-N 3.18Å; V240-S243 PolarHBondContact O-N 2.9Å; V240-S243 PolarHBondContact O-OG 3.41Å; V240-Q244 WeakPolarHBondContact O-CG 3.34Å; V240-Q244 PolarHBondContact O-N 3.17Å; V240-Q244 VanDerWaalsContact O-N 3.15Å
241S77.4Confident79Confident24 Ų2455.3 Ų55.317%0.16826%0.263CS..Hα-helixtrans-65.2-43.5-179.6-177.40000112.4Y138 K237 F238 S243 Q244 R245Y138-S241 WeakPolarHBondContact CE1-OG 3.22Å; Y138-S241 WeakPolarHBondContact OH-CB 3.36Å; Y138-S241 PolarHBondContact OH-OG 3.15Å; K237-S241 WeakPolarHBondContact O-CB 3.46Å; K237-S241 PolarHBondContact O-N 3.42Å; F238-S241 PolarHBondContact O-N 3.34Å; S241-S243 VanDerWaalsContact C-N 3.27Å; S241-S243 PolarHBondContact O-N 3.31Å; S241-Q244 PolarHBondContact O-N 2.96Å; S241-R245 WeakPolarHBondContact O-CG 3.25Å; S241-R245 PolarHBondContact O-N 2.98Å; S241-R245 VanDerWaalsContact O-N 3.17Å
242N75Confident79.2Confident31 Ų3158.7 Ų58.717%0.16628%0.276CS..Hα-helixtrans-63.6-35.7177.9-166.279.1000111.5F238 R245F238-N242 HydrophobicContact CE2-CB 4.31Å; F238-N242 HydrophobicContact CZ-CB 4.47Å; F238-N242 WeakPolarHBondContact O-CB 3.37Å; F238-N242 PolarHBondContact O-N 3.25Å; N242-R245 PolarHBondContact O-N 3.22Å
243S72.3Confident79.5Confident12 Ų1258 Ų588%0.08427%0.273CS..Hα-helixtrans-71.9-29177.6720000114.6V239 V240 S241 R245V239-S243 VanDerWaalsContact O-CB 3.25Å; V239-S243 WeakPolarHBondContact O-CB 3.12Å; V239-S243 PolarHBondContact O-N 2.73Å; V239-S243 PolarHBondContact O-OG 3.38Å; V240-S243 PolarHBondContact O-N 2.9Å; V240-S243 PolarHBondContact O-OG 3.41Å; S241-S243 VanDerWaalsContact C-N 3.27Å; S241-S243 PolarHBondContact O-N 3.31Å; S243-R245 VanDerWaalsContact C-N 3.33Å
244Q69.1Low79.8Confident116 Ų11655.6 Ų55.654%0.54226%0.262SS..Hα-helixtrans-78.2-23.2176.6-72.9175.9-0.900111.8V240 S241 R246 S332V240-Q244 WeakPolarHBondContact O-CG 3.34Å; V240-Q244 PolarHBondContact O-N 3.17Å; V240-Q244 VanDerWaalsContact O-N 3.15Å; S241-Q244 PolarHBondContact O-N 2.96Å; Q244-R246 PolarHBondContact O-N 3.32Å; Q244-S332 WeakPolarHBondContact CG-OG 3.35Å
245R68.2Low80.1Confident58 Ų5858.5 Ų58.522%0.21928%0.277CS..  trans-79.1110.1177.2-74.8175.8-168.8-141.3-2.5110.5D135 Y138 S241 N242 S243 R247D135-R245 WeakPolarHBondContact OD1-CD 3.47Å; D135-R245 IonicContact OD1-NH1 2.67Å; Y138-R245 VanDerWaalsContact CD1-NH1 3.29Å; S241-R245 WeakPolarHBondContact O-CG 3.25Å; S241-R245 PolarHBondContact O-N 2.98Å; S241-R245 VanDerWaalsContact O-N 3.17Å; N242-R245 PolarHBondContact O-N 3.22Å; S243-R245 VanDerWaalsContact C-N 3.33Å; R245-R247 HydrophobicContact CB-CG 4.15Å; R245-R247 PolarHBondContact O-N 3.47Å
246R64.7Low80.4Confident234 Ų23455.4 Ų55.488%0.88326%0.264SS*.  trans-87.447164.4-63.7-172.3-179.1-169.90.6111Q244Q244-R246 PolarHBondContact O-N 3.32Å
247R72.1Confident80.5Confident81 Ų8159.4 Ų59.431%0.30629%0.294SS..PPolyproline II helixtrans-88.9146.9-179.2-63.6-167.5-177.8-178.8-1.9110.1E131 D135 R245 T249E131-R247 HydrophobicContact CG-CB 4.15Å; E131-R247 HydrophobicContact CG-CG 4.12Å; E131-R247 WeakPolarHBondContact OE1-CG 3.34Å; D135-R247 HydrophobicContact CB-CB 4.15Å; R245-R247 HydrophobicContact CB-CG 4.15Å; R245-R247 PolarHBondContact O-N 3.47Å; R247-T249 PolarHBondContact O-N 2.81Å
248A76Confident80.8Confident15 Ų1564.2 Ų64.212%0.12432%0.317CS..PPolyproline II helixtrans-63130.7172.400000110L128 A132 E252L128-A248 HydrophobicContact CD1-CB 3.39Å; L128-A248 HydrophobicContact CG-CB 4.21Å; A132-A248 VanDerWaalsContact CA-O 3.26Å; A132-A248 WeakPolarHBondContact CA-O 3.1Å; A132-A248 VanDerWaalsContact CB-O 3.27Å; A132-A248 WeakPolarHBondContact CB-O 3.33Å; A248-E252 HydrophobicContact CB-CB 4.47Å
249T82.9Confident81.2Confident55 Ų5562 Ų6234%0.33731%0.307SS..PPolyproline II helixtrans-67.5159.2170.161.70000110.2R247 E251 E252 A253R247-T249 PolarHBondContact O-N 2.81Å; T249-E251 PolarHBondContact O-N 2.92Å; T249-E252 PolarHBondContact N-OE2 3.08Å; T249-E252 PolarHBondContact O-N 3.38Å; T249-E252 VanDerWaalsContact O-N 3.1Å; T249-E252 WeakPolarHBondContact OG1-CB 3.41Å; T249-E252 VanDerWaalsContact OG1-CG 3.24Å; T249-E252 WeakPolarHBondContact OG1-CG 3.46Å; T249-E252 PolarHBondContact OG1-N 3.38Å; T249-E252 VanDerWaalsContact OG1-N 3.15Å; T249-E252 PolarHBondContact OG1-OE2 3.23Å; T249-E252 VanDerWaalsContact OG1-OE2 3.11Å; T249-A253 PolarHBondContact O-N 3.36Å
250L85.8Confident81.8Confident46 Ų4659.9 Ų59.924%0.24129%0.294CS..Hα-helixtrans-58.1-34.8173.2-177.663000111.9F35 L129 L136 A253 L254F35-L250 HydrophobicContact CE1-CD1 3.95Å; F35-L250 HydrophobicContact CE1-CD2 4.44Å; F35-L250 HydrophobicContact CE2-CD1 4.24Å; F35-L250 HydrophobicContact CZ-CD1 3.51Å; F35-L250 HydrophobicContact CZ-CD2 4.46Å; L129-L250 HydrophobicContact CD1-CD1 3.98Å; L136-L250 HydrophobicContact CD2-CD2 4.04Å; L250-A253 PolarHBondContact O-N 3.32Å; L250-L254 HydrophobicContact CD1-CD1 3.89Å; L250-L254 HydrophobicContact CD1-CD2 4.4Å; L250-L254 HydrophobicContact CD1-CG 3.91Å; L250-L254 HydrophobicContact CD2-CD1 4.48Å; L250-L254 HydrophobicContact CG-CD1 3.9Å; L250-L254 HydrophobicContact CG-CG 4.27Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 2.72Å
251E86.3Confident82.4Confident98 Ų9859.9 Ų59.946%0.45829%0.293SS..Hα-helixtrans-63.5-45.4175.4-170.7-176.4171.400111.6T249 L254 I255 G256T249-E251 PolarHBondContact O-N 2.92Å; E251-L254 PolarHBondContact O-N 2.83Å; E251-I255 PolarHBondContact O-N 2.95Å; E251-G256 PolarHBondContact O-N 3.34Å
252E87.9Confident83.2Confident85 Ų8560.3 Ų60.340%0.39730%0.298SS..Hα-helixtrans-64.2-42.2177.1-74.4159.5175.600111.9A248 T249 L254 G256 G259A248-E252 HydrophobicContact CB-CB 4.47Å; T249-E252 PolarHBondContact N-OE2 3.08Å; T249-E252 PolarHBondContact O-N 3.38Å; T249-E252 VanDerWaalsContact O-N 3.1Å; T249-E252 WeakPolarHBondContact OG1-CB 3.41Å; T249-E252 VanDerWaalsContact OG1-CG 3.24Å; T249-E252 WeakPolarHBondContact OG1-CG 3.46Å; T249-E252 PolarHBondContact OG1-N 3.38Å; T249-E252 VanDerWaalsContact OG1-N 3.15Å; T249-E252 PolarHBondContact OG1-OE2 3.23Å; T249-E252 VanDerWaalsContact OG1-OE2 3.11Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.03Å; E252-G256 WeakPolarHBondContact O-CA 3.44Å; E252-G256 PolarHBondContact O-N 3.26Å; E252-G259 VanDerWaalsContact O-CA 3.28Å; E252-G259 WeakPolarHBondContact O-CA 3.21Å
253A90.9Very high84.1Confident0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-66.2-29.5177.900000113.3L128 L129 A132 T249 L250 G259 I260L128-A253 HydrophobicContact CD2-CB 4.31Å; L128-A253 HydrophobicContact CG-CB 3.99Å; L129-A253 HydrophobicContact CD1-CB 4.35Å; A132-A253 HydrophobicContact CB-CB 3.57Å; T249-A253 PolarHBondContact O-N 3.36Å; L250-A253 PolarHBondContact O-N 3.32Å; A253-G259 CarbonylContact O-C 3.52Å; A253-G259 WeakPolarHBondContact O-CA 3.48Å; A253-I260 WeakPolarHBondContact O-CG1 3.41Å; A253-I260 PolarHBondContact O-N 3.42Å
254L91.4Very high85.2Confident23 Ų2359 Ų5912%0.1229%0.292CS..Hα-helixtrans-92.4-43.3-179-65.3-177.6000113.4M1 L129 L250 E251 E252 I260 I261M1-L254 HydrophobicContact CE-CD2 3.65Å; M1-L254 HydrophobicContact SD-CD1 4.23Å; M1-L254 HydrophobicContact SD-CD2 3.67Å; M1-L254 HydrophobicContact SD-CG 4.4Å; L129-L254 HydrophobicContact CD1-CD2 3.65Å; L129-L254 HydrophobicContact CD1-CG 4.46Å; L250-L254 HydrophobicContact CD1-CD1 3.89Å; L250-L254 HydrophobicContact CD1-CD2 4.4Å; L250-L254 HydrophobicContact CD1-CG 3.91Å; L250-L254 HydrophobicContact CD2-CD1 4.48Å; L250-L254 HydrophobicContact CG-CD1 3.9Å; L250-L254 HydrophobicContact CG-CG 4.27Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 2.72Å; E251-L254 PolarHBondContact O-N 2.83Å; E252-L254 VanDerWaalsContact C-N 3.29Å; E252-L254 PolarHBondContact O-N 3.03Å; L254-I260 HydrophobicContact CD2-CD1 3.79Å; L254-I261 WeakPolarHBondContact O-CD1 3.44Å; L254-I261 VanDerWaalsContact O-CG1 3.31Å; L254-I261 WeakPolarHBondContact O-CG1 3.5Å; L254-I261 PolarHBondContact O-N 2.89Å
255I89.2Confident86.4Confident66 Ų6656.3 Ų56.334%0.33828%0.278SS..Hα-helixtrans-125.3-16.4-165.6-56.8172.1000111.7K4 E251 I261K4-I255 HydrophobicContact CD-CD1 4.16Å; K4-I255 HydrophobicContact CD-CG1 4.35Å; K4-I255 HydrophobicContact CD-CG2 4.11Å; K4-I255 VanDerWaalsContact NZ-CG2 3.32Å; E251-I255 PolarHBondContact O-N 2.95Å; I255-I261 HydrophobicContact CG1-CD1 4.14Å
256G87.8Confident87.6Confident13 Ų1356.8 Ų56.813%0.13429%0.285CS..SBendtrans-61.7171.2-179.800000113.3E251 E252 Q258 G259E251-G256 PolarHBondContact O-N 3.34Å; E252-G256 WeakPolarHBondContact O-CA 3.44Å; E252-G256 PolarHBondContact O-N 3.26Å; G256-Q258 PolarHBondContact O-N 3.42Å; G256-Q258 VanDerWaalsContact O-N 3.16Å; G256-G259 WeakPolarHBondContact O-CA 3.32Å; G256-G259 PolarHBondContact O-N 3.46Å
257P87.8Confident89Confident125 Ų12545.6 Ų45.681%0.81224%0.243SC*.THydrogen-bonded Turntrans-62.4-24-176.825.9-35.2000113.7A262P257-A262 WeakPolarHBondContact O-CB 3.47Å
258Q87.7Confident90.1Very high153 Ų15341.8 Ų41.872%0.71523%0.228SC*.THydrogen-bonded Turntrans-109.48.8173.3-62.6179.4-6.500112L128 G256 S263L128-Q258 WeakPolarHBondContact CD2-O 3.42Å; G256-Q258 PolarHBondContact O-N 3.42Å; G256-Q258 VanDerWaalsContact O-N 3.16Å; Q258-S263 PolarHBondContact O-OG 3.1Å
259G91.7Very high90.8Very high0 Ų043.9 Ų43.90%024%0.236CC..SBendtrans-79.5168.8-179.100000112.2E252 A253 G256 I261 A262 S263E252-G259 VanDerWaalsContact O-CA 3.28Å; E252-G259 WeakPolarHBondContact O-CA 3.21Å; A253-G259 CarbonylContact O-C 3.52Å; A253-G259 WeakPolarHBondContact O-CA 3.48Å; G256-G259 WeakPolarHBondContact O-CA 3.32Å; G256-G259 PolarHBondContact O-N 3.46Å; G259-I261 VanDerWaalsContact C-N 3.26Å; G259-I261 PolarHBondContact O-N 3.14Å; G259-I261 VanDerWaalsContact O-N 3.07Å; G259-A262 PolarHBondContact O-N 2.73Å; G259-S263 PolarHBondContact O-N 2.62Å; G259-S263 PolarHBondContact O-OG 3Å; G259-S263 VanDerWaalsContact O-OG 3.07Å
260I93.9Very high91.1Very high1 Ų145.3 Ų45.31%0.00524%0.241CC..Hα-helixtrans-48.6-43.7-172.9-66.8168.5000113.2M1 F27 V74 A125 L129 A253 L254 S263 I264M1-I260 HydrophobicContact CE-CB 4.28Å; M1-I260 HydrophobicContact CE-CD1 4.03Å; M1-I260 HydrophobicContact CE-CG2 4Å; F27-I260 HydrophobicContact CE1-CG2 4.1Å; F27-I260 HydrophobicContact CZ-CD1 4.24Å; F27-I260 HydrophobicContact CZ-CG2 4.27Å; V74-I260 HydrophobicContact CG2-CD1 4.32Å; A125-I260 HydrophobicContact CB-CG1 4.41Å; L129-I260 HydrophobicContact CB-CD1 4.3Å; L129-I260 HydrophobicContact CD1-CD1 4.05Å; L129-I260 HydrophobicContact CD2-CD1 3.84Å; L129-I260 HydrophobicContact CG-CD1 4.28Å; A253-I260 WeakPolarHBondContact O-CG1 3.41Å; A253-I260 PolarHBondContact O-N 3.42Å; L254-I260 HydrophobicContact CD2-CD1 3.79Å; I260-S263 PolarHBondContact O-N 3.1Å; I260-I264 HydrophobicContact CG2-CD1 3.7Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 WeakPolarHBondContact O-CD1 3.39Å; I260-I264 WeakPolarHBondContact O-CG1 3.28Å; I260-I264 PolarHBondContact O-N 3.14Å
261I93Very high91.3Very high21 Ų2145.8 Ų45.811%0.10824%0.244CC..Hα-helixtrans-63.6-46.5-178.4-64.3170.4000111.3K4 M5 M8 L254 I255 G259 I264 K265K4-I261 HydrophobicContact CB-CD1 3.68Å; K4-I261 HydrophobicContact CD-CD1 4.39Å; M5-I261 HydrophobicContact CG-CD1 4.25Å; M5-I261 HydrophobicContact CG-CG1 3.78Å; M8-I261 HydrophobicContact CB-CG2 4.19Å; M8-I261 HydrophobicContact CG-CG2 4.22Å; L254-I261 WeakPolarHBondContact O-CD1 3.44Å; L254-I261 VanDerWaalsContact O-CG1 3.31Å; L254-I261 WeakPolarHBondContact O-CG1 3.5Å; L254-I261 PolarHBondContact O-N 2.89Å; I255-I261 HydrophobicContact CG1-CD1 4.14Å; G259-I261 VanDerWaalsContact C-N 3.26Å; G259-I261 PolarHBondContact O-N 3.14Å; G259-I261 VanDerWaalsContact O-N 3.07Å; I261-I264 PolarHBondContact O-N 3.38Å; I261-K265 PolarHBondContact O-N 3.43Å
262A93.4Very high91.6Very high33 Ų3341.1 Ų41.127%0.27322%0.222SC..Hα-helixtrans-67.2-42.1177.800000110.8P257 G259 I264 K265 D266P257-A262 WeakPolarHBondContact O-CB 3.47Å; G259-A262 PolarHBondContact O-N 2.73Å; A262-I264 VanDerWaalsContact C-N 3.31Å; A262-I264 PolarHBondContact O-N 2.68Å; A262-K265 PolarHBondContact O-N 3.4Å; A262-D266 WeakPolarHBondContact O-CB 3.29Å; A262-D266 PolarHBondContact O-N 3.44Å
263S94.9Very high91.7Very high16 Ų1640.5 Ų40.511%0.11222%0.224CC..Hα-helixtrans-58.2-38.7175.8-58.30000113.1Q258 G259 I260 A267Q258-S263 PolarHBondContact O-OG 3.1Å; G259-S263 PolarHBondContact O-N 2.62Å; G259-S263 PolarHBondContact O-OG 3Å; G259-S263 VanDerWaalsContact O-OG 3.07Å; I260-S263 PolarHBondContact O-N 3.1Å; S263-A267 WeakPolarHBondContact O-CB 3.39Å; S263-A267 PolarHBondContact O-N 2.77Å
264I95Very high91.6Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-65.6-44.2177.1-69.2159.5000110.8M5 M8 F9 F77 F78 I81 I260 I261 A262 I268M5-I264 HydrophobicContact CE-CD1 3.38Å; M8-I264 HydrophobicContact CE-CB 4.02Å; M8-I264 HydrophobicContact CE-CG2 3.6Å; F9-I264 HydrophobicContact CE1-CG2 4.3Å; F9-I264 HydrophobicContact CE2-CG2 4.11Å; F9-I264 HydrophobicContact CZ-CG2 3.55Å; F77-I264 HydrophobicContact CD1-CD1 4.3Å; F77-I264 HydrophobicContact CE1-CD1 3.44Å; F77-I264 VanDerWaalsContact CE1-CD1 3.44Å; F77-I264 HydrophobicContact CE1-CG1 3.91Å; F77-I264 HydrophobicContact CZ-CD1 4.09Å; F78-I264 HydrophobicContact CE1-CG1 4.12Å; F78-I264 HydrophobicContact CE2-CG1 4.22Å; F78-I264 HydrophobicContact CZ-CB 4.43Å; F78-I264 HydrophobicContact CZ-CG1 3.62Å; I81-I264 HydrophobicContact CD1-CG2 4.33Å; I260-I264 HydrophobicContact CG2-CD1 3.7Å; I260-I264 HydrophobicContact CG2-CG1 4.36Å; I260-I264 WeakPolarHBondContact O-CD1 3.39Å; I260-I264 WeakPolarHBondContact O-CG1 3.28Å; I260-I264 PolarHBondContact O-N 3.14Å; I261-I264 PolarHBondContact O-N 3.38Å; A262-I264 VanDerWaalsContact C-N 3.31Å; A262-I264 PolarHBondContact O-N 2.68Å; I264-I268 HydrophobicContact CG2-CD1 3.96Å; I264-I268 WeakPolarHBondContact O-CG1 3.49Å; I264-I268 PolarHBondContact O-N 2.67Å; I264-I268 VanDerWaalsContact O-N 3.16Å
265K94.3Very high91.5Very high60 Ų6046.2 Ų46.226%0.26126%0.264SS..Hα-helixtrans-61.5-49.1177.8-179.5179.8-179.7-69.20110.8M8 H12 F13 I261 A262 I268 E269M8-K265 HydrophobicContact CG-CB 4.45Å; M8-K265 HydrophobicContact SD-CB 4.22Å; H12-K265 WeakPolarHBondContact CE1-CE 3.43Å; H12-K265 WeakPolarHBondContact ND1-CE 3.5Å; H12-K265 WeakPolarHBondContact NE2-CE 3.06Å; F13-K265 HydrophobicContact CE2-CG 4.41Å; F13-K265 HydrophobicContact CZ-CG 4.32Å; I261-K265 PolarHBondContact O-N 3.43Å; A262-K265 PolarHBondContact O-N 3.4Å; K265-I268 PolarHBondContact O-N 2.94Å; K265-E269 WeakPolarHBondContact CE-OE1 3.34Å; K265-E269 VanDerWaalsContact NZ-CD 3.25Å; K265-E269 IonicContact NZ-OE1 3.86Å; K265-E269 PolarHBondContact NZ-OE1 2.86Å; K265-E269 IonicContact NZ-OE2 3.39Å; K265-E269 PolarHBondContact NZ-OE2 3.09Å; K265-E269 WeakPolarHBondContact O-CB 3.28Å; K265-E269 PolarHBondContact O-N 2.89Å
266D93.1Very high91.5Very high67 Ų6743.4 Ų43.436%0.35825%0.25SS..Hα-helixtrans-58.6-47.9178.4-167.941.3000111.9I121 A262 I268 E269 N270I121-D266 HydrophobicContact CD1-CB 4.42Å; A262-D266 WeakPolarHBondContact O-CB 3.29Å; A262-D266 PolarHBondContact O-N 3.44Å; D266-I268 VanDerWaalsContact C-N 3.29Å; D266-I268 PolarHBondContact O-N 2.77Å; D266-E269 PolarHBondContact O-N 3.45Å; D266-N270 WeakPolarHBondContact O-CB 3.18Å; D266-N270 PolarHBondContact O-N 3.26Å; D266-N270 PolarHBondContact OD1-ND2 3.32Å
267A94.7Very high91.6Very high0 Ų047.4 Ų47.40%027%0.274CS..Iπ-helixtrans-59.3-37.517800000113.6F78 F118 I121 S263 D271 A272F78-A267 HydrophobicContact CE1-CB 3.77Å; F118-A267 HydrophobicContact CB-CB 3.98Å; F118-A267 HydrophobicContact CD1-CB 3.8Å; F118-A267 HydrophobicContact CG-CB 4.19Å; I121-A267 HydrophobicContact CB-CB 4.33Å; I121-A267 HydrophobicContact CD1-CB 3.75Å; I121-A267 HydrophobicContact CG2-CB 4.13Å; S263-A267 WeakPolarHBondContact O-CB 3.39Å; S263-A267 PolarHBondContact O-N 2.77Å; A267-D271 WeakPolarHBondContact O-CB 3.4Å; A267-D271 PolarHBondContact O-N 3.02Å; A267-A272 WeakPolarHBondContact O-CB 3.19Å; A267-A272 PolarHBondContact O-N 3.19Å
268I94Very high91.8Very high0 Ų044.1 Ų44.10%025%0.254CS..Iπ-helixtrans-78.6-50.9179.6-63.6169.5000110.3F9 F13 I16 I81 V85 I89 F118 I264 K265 D266 V273F9-I268 HydrophobicContact CE1-CD1 3.79Å; F9-I268 HydrophobicContact CZ-CD1 4.29Å; F13-I268 HydrophobicContact CD1-CG2 3.85Å; F13-I268 HydrophobicContact CD2-CD1 4.19Å; F13-I268 HydrophobicContact CE1-CB 3.92Å; F13-I268 HydrophobicContact CE1-CG2 3.33Å; F13-I268 HydrophobicContact CE2-CB 4.21Å; F13-I268 HydrophobicContact CE2-CD1 3.91Å; F13-I268 HydrophobicContact CE2-CG2 4.31Å; F13-I268 HydrophobicContact CZ-CB 3.61Å; F13-I268 HydrophobicContact CZ-CD1 4.2Å; F13-I268 HydrophobicContact CZ-CG2 3.59Å; I16-I268 HydrophobicContact CD1-CD1 4.37Å; I81-I268 HydrophobicContact CD1-CD1 4.44Å; V85-I268 HydrophobicContact CG1-CG2 4.44Å; V85-I268 HydrophobicContact CG2-CD1 4.06Å; V85-I268 HydrophobicContact CG2-CG1 4.16Å; I89-I268 HydrophobicContact CD1-CG2 3.4Å; I89-I268 VanDerWaalsContact CD1-CG2 3.4Å; I89-I268 HydrophobicContact CG2-CG2 4.37Å; F118-I268 HydrophobicContact CE1-CG1 4.12Å; I264-I268 HydrophobicContact CG2-CD1 3.96Å; I264-I268 WeakPolarHBondContact O-CG1 3.49Å; I264-I268 PolarHBondContact O-N 2.67Å; I264-I268 VanDerWaalsContact O-N 3.16Å; K265-I268 PolarHBondContact O-N 2.94Å; D266-I268 VanDerWaalsContact C-N 3.29Å; D266-I268 PolarHBondContact O-N 2.77Å; I268-V273 VanDerWaalsContact O-CG2 3.25Å; I268-V273 WeakPolarHBondContact O-CG2 3.49Å; I268-V273 PolarHBondContact O-N 3.29Å
269E91.1Very high92.1Very high60 Ų6037 Ų3728%0.2822%0.221SC..Iπ-helixtrans-68.5-44-175-80.4171.6-173.700113H12 F13 K265 D266H12-E269 IonicContact ND1-OE1 3.61Å; F13-E269 HydrophobicContact CE1-CG 3.82Å; F13-E269 HydrophobicContact CZ-CG 3.78Å; K265-E269 WeakPolarHBondContact CE-OE1 3.34Å; K265-E269 VanDerWaalsContact NZ-CD 3.25Å; K265-E269 IonicContact NZ-OE1 3.86Å; K265-E269 PolarHBondContact NZ-OE1 2.86Å; K265-E269 IonicContact NZ-OE2 3.39Å; K265-E269 PolarHBondContact NZ-OE2 3.09Å; K265-E269 WeakPolarHBondContact O-CB 3.28Å; K265-E269 PolarHBondContact O-N 2.89Å; D266-E269 PolarHBondContact O-N 3.45Å
270N90.1Very high92.1Very high84 Ų8438.3 Ų38.345%0.44923%0.23SC..Iπ-helixtrans-100.6-36.7-168.4-66.4-35.9000112.8D266 T274D266-N270 WeakPolarHBondContact O-CB 3.18Å; D266-N270 PolarHBondContact O-N 3.26Å; D266-N270 PolarHBondContact OD1-ND2 3.32Å; N270-T274 WeakPolarHBondContact O-CB 3.47Å; N270-T274 PolarHBondContact O-OG1 3.41Å
271D90Very high92Very high57 Ų5743.6 Ų43.631%0.30526%0.257SS..Iπ-helixtrans-93.1-60.1-178.6-63.5-31.8000111.9I121 A267 V273 T274 A275I121-D271 WeakPolarHBondContact CD1-OD2 3.44Å; A267-D271 WeakPolarHBondContact O-CB 3.4Å; A267-D271 PolarHBondContact O-N 3.02Å; D271-V273 PolarHBondContact O-N 3.43Å; D271-T274 PolarHBondContact O-N 3.42Å; D271-A275 VanDerWaalsContact O-CB 3.24Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 3.43Å
272A91.4Very high92Very high0 Ų047.7 Ų47.70%027%0.271CS..Iπ-helixtrans-65.6-41.8-171.300000113V85 I90 P117 F118 A267 G276V85-A272 HydrophobicContact CG1-CB 4.15Å; I90-A272 HydrophobicContact CD1-CB 4.32Å; P117-A272 WeakPolarHBondContact O-CA 3.29Å; F118-A272 HydrophobicContact CD1-CB 4.05Å; F118-A272 HydrophobicContact CE1-CB 3.9Å; A267-A272 WeakPolarHBondContact O-CB 3.19Å; A267-A272 PolarHBondContact O-N 3.19Å; A272-G276 WeakPolarHBondContact O-CA 3.41Å; A272-G276 PolarHBondContact O-N 3.26Å; A272-G276 VanDerWaalsContact O-N 3.15Å
273V90Very high91.9Very high71 Ų7146.1 Ų46.143%0.4326%0.258SS..THydrogen-bonded Turntrans-68.3-46.9177.91690000111.1I89 I268 D271 A275 G276I89-V273 HydrophobicContact CG2-CG2 3.47Å; I89-V273 VanDerWaalsContact CG2-CG2 3.47Å; I268-V273 VanDerWaalsContact O-CG2 3.25Å; I268-V273 WeakPolarHBondContact O-CG2 3.49Å; I268-V273 PolarHBondContact O-N 3.29Å; D271-V273 PolarHBondContact O-N 3.43Å; V273-A275 PolarHBondContact O-N 3.09Å; V273-G276 PolarHBondContact O-N 2.7Å; V273-G276 VanDerWaalsContact O-N 3.14Å
274T89.5Confident91.6Very high110 Ų11050.8 Ų50.868%0.67528%0.277SS*.THydrogen-bonded Turntrans-65.5-39.6-178.4-53.60000111.9N270 D271 G276N270-T274 WeakPolarHBondContact O-CB 3.47Å; N270-T274 PolarHBondContact O-OG1 3.41Å; D271-T274 PolarHBondContact O-N 3.42Å; T274-G276 VanDerWaalsContact C-N 3.26Å; T274-G276 PolarHBondContact O-N 3.17Å
275A90Very high91.5Very high34 Ų3456.3 Ų56.328%0.28131%0.306SS..THydrogen-bonded Turntrans-84.36.2176.700000113.4D271 V273 S278 I279D271-A275 VanDerWaalsContact O-CB 3.24Å; D271-A275 WeakPolarHBondContact O-CB 3.45Å; D271-A275 PolarHBondContact O-N 3.43Å; V273-A275 PolarHBondContact O-N 3.09Å; A275-S278 PolarHBondContact O-N 3.19Å; A275-S278 PolarHBondContact O-OG 3.33Å; A275-I279 HydrophobicContact CB-CD1 3.8Å; A275-I279 HydrophobicContact CB-CG1 4.05Å; A275-I279 WeakPolarHBondContact O-CG1 3.21Å; A275-I279 PolarHBondContact O-N 3.35Å
276G89.4Confident91.4Very high6 Ų657.4 Ų57.46%0.06231%0.312CS..Hα-helixtrans-46.4-54.8-172.800000114.8A272 V273 T274 S278 I279 S280A272-G276 WeakPolarHBondContact O-CA 3.41Å; A272-G276 PolarHBondContact O-N 3.26Å; A272-G276 VanDerWaalsContact O-N 3.15Å; V273-G276 PolarHBondContact O-N 2.7Å; V273-G276 VanDerWaalsContact O-N 3.14Å; T274-G276 VanDerWaalsContact C-N 3.26Å; T274-G276 PolarHBondContact O-N 3.17Å; G276-S278 PolarHBondContact O-N 3.4Å; G276-I279 PolarHBondContact O-N 2.9Å; G276-S280 PolarHBondContact O-N 3.01Å; G276-S280 PolarHBondContact O-OG 3.2Å
277P89.8Confident91.3Very high97 Ų9755.2 Ų55.263%0.6330%0.302SS*.Hα-helixtrans-60.4-39.1179.1-25.535.1000114.1S280 I281P277-S280 PolarHBondContact O-N 3.08Å; P277-I281 WeakPolarHBondContact O-CG1 3.33Å; P277-I281 PolarHBondContact O-N 3.23Å
278S92.2Very high91Very high57 Ų5756.1 Ų56.140%0.39931%0.312SS..Hα-helixtrans-73.9-35.6179.768.50000111.6A275 G276 I281 R282A275-S278 PolarHBondContact O-N 3.19Å; A275-S278 PolarHBondContact O-OG 3.33Å; G276-S278 PolarHBondContact O-N 3.4Å; S278-I281 PolarHBondContact O-N 2.87Å; S278-R282 VanDerWaalsContact O-CG 3.3Å; S278-R282 WeakPolarHBondContact O-CG 3.33Å; S278-R282 PolarHBondContact O-N 3.43Å; S278-R282 VanDerWaalsContact O-N 3.08Å
279I92.8Very high90.4Very high3 Ų359.5 Ų59.52%0.01533%0.334CS..Hα-helixtrans-60.3-46.9171.6-69.9168.5000110.1F82 Y86 I90 I115 P117 A275 G276 I281 R282 L283F82-I279 HydrophobicContact CE2-CG2 3.96Å; F82-I279 HydrophobicContact CZ-CG2 3.68Å; Y86-I279 HydrophobicContact CD2-CG2 4.25Å; I90-I279 HydrophobicContact CD1-CB 4.46Å; I90-I279 HydrophobicContact CD1-CD1 3.91Å; I90-I279 HydrophobicContact CD1-CG2 4.03Å; I115-I279 HydrophobicContact CG2-CG1 4.33Å; I115-I279 HydrophobicContact CG2-CG2 4.26Å; P117-I279 HydrophobicContact CB-CD1 3.9Å; P117-I279 HydrophobicContact CB-CG1 4.43Å; A275-I279 HydrophobicContact CB-CD1 3.8Å; A275-I279 HydrophobicContact CB-CG1 4.05Å; A275-I279 WeakPolarHBondContact O-CG1 3.21Å; A275-I279 PolarHBondContact O-N 3.35Å; G276-I279 PolarHBondContact O-N 2.9Å; I279-I281 PolarHBondContact O-N 3.31Å; I279-R282 PolarHBondContact O-N 3Å; I279-L283 VanDerWaalsContact O-CB 3.25Å; I279-L283 WeakPolarHBondContact O-CB 3.28Å; I279-L283 PolarHBondContact O-N 2.88Å
280S90.9Very high89.7Confident28 Ų2859.6 Ų59.620%0.19633%0.333CS..Hα-helixtrans-62.4-40.7-179.6-61.30000112.8Y86 N91 G276 P277 F284Y86-S280 WeakPolarHBondContact CE2-OG 3.07Å; N91-S280 PolarHBondContact OD1-OG 2.86Å; G276-S280 PolarHBondContact O-N 3.01Å; G276-S280 PolarHBondContact O-OG 3.2Å; P277-S280 PolarHBondContact O-N 3.08Å; S280-F284 WeakPolarHBondContact O-CB 3.31Å; S280-F284 PolarHBondContact O-N 3.43Å
281I91.8Very high88.8Confident111 Ų11160.9 Ų60.957%0.56934%0.335SS*.Hα-helixtrans-63.5-51.2175.9-67.2166.6000110.4P277 S278 I279 L283 F284 D285P277-I281 WeakPolarHBondContact O-CG1 3.33Å; P277-I281 PolarHBondContact O-N 3.23Å; S278-I281 PolarHBondContact O-N 2.87Å; I279-I281 PolarHBondContact O-N 3.31Å; I281-L283 VanDerWaalsContact C-N 3.28Å; I281-L283 PolarHBondContact O-N 2.84Å; I281-F284 WeakPolarHBondContact O-CB 3.08Å; I281-F284 PolarHBondContact O-N 2.92Å; I281-F284 VanDerWaalsContact O-N 3.09Å; I281-D285 PolarHBondContact O-N 3.37Å
282R93Very high87.8Confident107 Ų10760.8 Ų60.840%0.40434%0.336SS..Hα-helixtrans-62.3-38.1-179.6-68.2171.770.6-169.64.3111.7K114 I115 S278 I279 F284 D285 E286K114-R282 PolarHBondContact O-NH2 3.34Å; I115-R282 VanDerWaalsContact CA-NH2 3.35Å; I115-R282 HydrophobicContact CD1-CB 4.32Å; I115-R282 HydrophobicContact CG1-CB 4.17Å; I115-R282 VanDerWaalsContact O-CZ 3.24Å; I115-R282 PolarHBondContact O-NH1 3.44Å; I115-R282 PolarHBondContact O-NH2 2.97Å; S278-R282 VanDerWaalsContact O-CG 3.3Å; S278-R282 WeakPolarHBondContact O-CG 3.33Å; S278-R282 PolarHBondContact O-N 3.43Å; S278-R282 VanDerWaalsContact O-N 3.08Å; I279-R282 PolarHBondContact O-N 3Å; R282-F284 VanDerWaalsContact C-N 3.34Å; R282-D285 PolarHBondContact O-N 3.36Å; R282-E286 WeakPolarHBondContact O-CG 3.46Å; R282-E286 PolarHBondContact O-N 2.99Å; R282-E286 VanDerWaalsContact O-N 3.07Å
283L91.3Very high86.5Confident0 Ų063.7 Ų63.70%035%0.35CS..Hα-helixtrans-70.4-32.5176.9-165.672.6000112.2F82 Y86 Y104 V108 A111 I115 I279 I281 D285 E286 C287F82-L283 HydrophobicContact CE1-CD1 4.35Å; Y86-L283 HydrophobicContact CD1-CD2 3.58Å; Y86-L283 HydrophobicContact CD2-CD2 4.03Å; Y86-L283 HydrophobicContact CE1-CD2 3.22Å; Y86-L283 HydrophobicContact CE2-CD2 3.74Å; Y86-L283 HydrophobicContact CG-CD2 3.96Å; Y104-L283 HydrophobicContact CE1-CD2 4.35Å; V108-L283 HydrophobicContact CB-CD1 4.32Å; V108-L283 HydrophobicContact CG1-CD1 4.23Å; V108-L283 HydrophobicContact CG1-CD2 4.27Å; V108-L283 HydrophobicContact CG2-CD1 4.04Å; V108-L283 HydrophobicContact CG2-CD2 3.78Å; V108-L283 HydrophobicContact CG2-CG 4.32Å; A111-L283 HydrophobicContact CB-CD1 3.99Å; I115-L283 HydrophobicContact CD1-CB 3.87Å; I115-L283 HydrophobicContact CD1-CD1 3.44Å; I115-L283 VanDerWaalsContact CD1-CD1 3.44Å; I115-L283 HydrophobicContact CD1-CG 4.28Å; I279-L283 VanDerWaalsContact O-CB 3.25Å; I279-L283 WeakPolarHBondContact O-CB 3.28Å; I279-L283 PolarHBondContact O-N 2.88Å; I281-L283 VanDerWaalsContact C-N 3.28Å; I281-L283 PolarHBondContact O-N 2.84Å; L283-D285 VanDerWaalsContact C-N 3.32Å; L283-E286 PolarHBondContact O-N 2.86Å; L283-C287 HydrophobicContact CD1-CB 4.47Å; L283-C287 HydrophobicContact CG-CB 4.4Å; L283-C287 WeakPolarHBondContact O-CA 3.44Å; L283-C287 WeakPolarHBondContact O-CB 3.29Å; L283-C287 PolarHBondContact O-N 3.5Å
284F90.4Very high84.8Confident114 Ų11462.5 Ų62.550%0.535%0.345SS..Hα-helixtrans-63.2-41171.4-177.3-89.5000111.2S280 I281 R282 G288 P289S280-F284 WeakPolarHBondContact O-CB 3.31Å; S280-F284 PolarHBondContact O-N 3.43Å; I281-F284 WeakPolarHBondContact O-CB 3.08Å; I281-F284 PolarHBondContact O-N 2.92Å; I281-F284 VanDerWaalsContact O-N 3.09Å; R282-F284 VanDerWaalsContact C-N 3.34Å; F284-G288 WeakPolarHBondContact O-CA 3.27Å; F284-G288 PolarHBondContact O-N 3.33Å; F284-P289 HydrophobicContact CE2-CB 3.95Å
285D91.8Very high82.9Confident116 Ų11661 Ų6162%0.6233%0.332SS*.Hα-helixtrans-65.3-38.5176.8-64.7-25.6000112.2I281 R282 L283I281-D285 PolarHBondContact O-N 3.37Å; R282-D285 PolarHBondContact O-N 3.36Å; L283-D285 VanDerWaalsContact C-N 3.32Å
286E91.9Very high81.1Confident83 Ų8365.3 Ų65.339%0.38835%0.349SS..Hα-helixtrans-82.2-42.1-179.8-62-55.8135.900114.1A111 K114 I115 R282 L283A111-E286 HydrophobicContact CB-CB 4.19Å; A111-E286 HydrophobicContact CB-CG 4.43Å; K114-E286 HydrophobicContact CD-CG 4.38Å; K114-E286 WeakPolarHBondContact CD-OE2 3.21Å; K114-E286 VanDerWaalsContact CE-OE1 3.25Å; K114-E286 WeakPolarHBondContact CE-OE1 3.44Å; K114-E286 IonicContact NZ-OE1 3.3Å; K114-E286 PolarHBondContact NZ-OE1 2.61Å; K114-E286 IonicContact NZ-OE2 3.51Å; K114-E286 PolarHBondContact NZ-OE2 2.93Å; I115-E286 HydrophobicContact CD1-CG 4.4Å; R282-E286 WeakPolarHBondContact O-CG 3.46Å; R282-E286 PolarHBondContact O-N 2.99Å; R282-E286 VanDerWaalsContact O-N 3.07Å; L283-E286 PolarHBondContact O-N 2.86Å
287C91.1Very high79.4Confident21 Ų2169.9 Ų69.914%0.14237%0.369CS..Hα-helixtrans-113.9-7.8-169.2-64.80000114.1Y104 C107 L283Y104-C287 HydrophobicContact CD2-CB 4.19Å; Y104-C287 HydrophobicContact CE2-CB 3.63Å; Y104-C287 WeakPolarHBondContact CE2-O 3.44Å; C107-C287 HydrophobicContact CB-CB 3.95Å; C107-C287 WeakPolarHBondContact CB-SG 3.4Å; C107-C287 WeakPolarHBondContact SG-CA 3.5Å; C107-C287 WeakPolarHBondContact SG-CB 3.44Å; C107-C287 CovalentContact SG-SG 2.04Å; C107-C287 PolarHBondContact SG-SG 2.99Å; L283-C287 HydrophobicContact CD1-CB 4.47Å; L283-C287 HydrophobicContact CG-CB 4.4Å; L283-C287 WeakPolarHBondContact O-CA 3.44Å; L283-C287 WeakPolarHBondContact O-CB 3.29Å; L283-C287 PolarHBondContact O-N 3.5Å
288G87.8Confident77.6Confident20 Ų2069.3 Ų69.321%0.20635%0.354CS..  trans75.3-164-174.700000113.6Y104 F284Y104-G288 PolarHBondContact OH-O 3.38Å; F284-G288 WeakPolarHBondContact O-CA 3.27Å; F284-G288 PolarHBondContact O-N 3.33Å
289P81.5Confident75.7Confident70 Ų7070.1 Ų70.146%0.45536%0.357SS..SBendtrans-61.7146.5-173.725-33.9000112Y104 F284 K291Y104-P289 VanDerWaalsContact CE2-O 3.22Å; Y104-P289 WeakPolarHBondContact CE2-O 3.02Å; F284-P289 HydrophobicContact CE2-CB 3.95Å; P289-K291 WeakPolarHBondContact O-CG 3.31Å; P289-K291 PolarHBondContact O-N 3.35Å
290F76.6Confident74.1Confident62 Ų6276.9 Ų76.927%0.27239%0.388SS..  trans-56.6121.4175.7-171.6-110.8000110.8Y86 N91 D93 L100 Y104 T292Y86-F290 HydrophobicContact CD1-CE2 4.13Å; Y86-F290 AromaticContact CE1-CD2 3.62Å; Y86-F290 HydrophobicContact CE1-CD2 3.62Å; Y86-F290 AromaticContact CE1-CE2 3.62Å; Y86-F290 HydrophobicContact CE1-CE2 3.62Å; N91-F290 WeakPolarHBondContact ND2-CD2 3.22Å; N91-F290 VanDerWaalsContact ND2-CE2 3.28Å; N91-F290 WeakPolarHBondContact ND2-CE2 3.45Å; D93-F290 HydrophobicContact CB-CE1 4.44Å; D93-F290 HydrophobicContact CB-CZ 4.44Å; D93-F290 VanDerWaalsContact OD2-CE1 3.22Å; D93-F290 WeakPolarHBondContact OD2-CE1 3.27Å; L100-F290 HydrophobicContact CD2-CD2 3.87Å; L100-F290 HydrophobicContact CD2-CE2 3.31Å; L100-F290 HydrophobicContact CD2-CZ 3.87Å; L100-F290 HydrophobicContact CG-CE2 4.5Å; Y104-F290 HydrophobicContact CE1-CD2 4.17Å; F290-T292 HydrophobicContact CD1-CG2 3.76Å; F290-T292 HydrophobicContact CE1-CG2 3.14Å; F290-T292 HydrophobicContact CZ-CG2 3.67Å
291K72.4Confident72.6Confident112 Ų11282.4 Ų82.449%0.48741%0.405SS..  trans-122.7117.6-179.5-69.4172.6-174.4177.20110.8N101 P289N101-K291 PolarHBondContact N-O 3.23Å; N101-K291 VanDerWaalsContact ND2-CB 3.26Å; N101-K291 WeakPolarHBondContact ND2-CB 3.29Å; P289-K291 WeakPolarHBondContact O-CG 3.31Å; P289-K291 PolarHBondContact O-N 3.35Å
292T67.2Low70.8Confident54 Ų5482.6 Ų82.633%0.33140%0.401SS..EExtended strand (participates in β ladder)trans-109.7145.5178.753.50000111.5Y98 K99 F290Y98-T292 HydrophobicContact CD1-CG2 4.31Å; Y98-T292 WeakPolarHBondContact CD1-OG1 3.49Å; Y98-T292 HydrophobicContact CG-CG2 4.03Å; K99-T292 WeakPolarHBondContact O-CA 3.45Å; F290-T292 HydrophobicContact CD1-CG2 3.76Å; F290-T292 HydrophobicContact CE1-CG2 3.14Å; F290-T292 HydrophobicContact CZ-CG2 3.67Å
293E64.8Low68.4Low61 Ų6184 Ų8429%0.28542%0.417SS..EExtended strand (participates in β ladder)trans-100.1150.8160.6-78.3169.4-156.800108.7K99 N101 R301K99-E293 PolarHBondContact N-O 2.71Å; K99-E293 PolarHBondContact O-N 2.82Å; N101-E293 HydrophobicContact CB-CG 3.75Å; N101-E293 WeakPolarHBondContact CB-OE1 3.31Å; E293-R301 IonicContact OE2-NH1 3.67Å
294S53.8Low66.1Low46 Ų4688.6 Ų88.632%0.32245%0.447SS..EExtended strand (participates in β ladder)trans-69.9134.1172.381.20000109.9I296 E297 W298S294-I296 PolarHBondContact O-N 3.46Å; S294-E297 PolarHBondContact O-N 3.42Å; S294-E297 VanDerWaalsContact OG-CB 3.22Å; S294-E297 WeakPolarHBondContact OG-CB 3.48Å; S294-E297 PolarHBondContact OG-N 3.18Å; S294-W298 PolarHBondContact O-N 2.97Å
295L49.4Very low63.9Low78 Ų7887.6 Ų87.641%0.40845%0.452SS..Hα-helixtrans-60.9-31.1178.9-175.473.1000112.3G97 W298 V299G97-L295 WeakPolarHBondContact O-CB 3.47Å; G97-L295 PolarHBondContact O-N 3Å; L295-W298 PolarHBondContact O-N 3.46Å; L295-V299 HydrophobicContact CD1-CG2 4.35Å; L295-V299 HydrophobicContact CG-CG2 4.15Å; L295-V299 WeakPolarHBondContact O-CB 3.29Å; L295-V299 VanDerWaalsContact O-CG2 3.29Å; L295-V299 WeakPolarHBondContact O-CG2 3.34Å; L295-V299 PolarHBondContact O-N 3.31Å
296I53.7Low61.9Low126 Ų12686.3 Ų86.365%0.64646%0.458SS*.Hα-helixtrans-61.4-49178.8-62.1171.5000110.2S294 W298 V299 E300S294-I296 PolarHBondContact O-N 3.46Å; I296-W298 VanDerWaalsContact C-N 3.25Å; I296-W298 PolarHBondContact O-N 2.98Å; I296-V299 PolarHBondContact O-N 2.89Å; I296-E300 WeakPolarHBondContact O-CG 3.43Å; I296-E300 PolarHBondContact O-N 3.49Å; I296-E300 VanDerWaalsContact O-N 3.1Å
297E52.2Low59.8Low102 Ų10289.8 Ų89.848%0.47747%0.474SS..Hα-helixtrans-66.2-26.7-180-164.4-177.2172.200112.8S294 R301S294-E297 PolarHBondContact O-N 3.42Å; S294-E297 VanDerWaalsContact OG-CB 3.22Å; S294-E297 WeakPolarHBondContact OG-CB 3.48Å; S294-E297 PolarHBondContact OG-N 3.18Å; E297-R301 WeakPolarHBondContact O-CB 3.48Å; E297-R301 IonicContact OE1-NH2 3.61Å
298W52.7Low57.5Low84 Ų8492 Ų9232%0.31849%0.493SS..Hα-helixtrans-81.1-42.4175.9-173.691.2000113.2K99 S294 L295 I296 R301 K302K99-W298 HydrophobicContact CD-CD2 4.49Å; K99-W298 VanDerWaalsContact NZ-CE2 3.32Å; S294-W298 PolarHBondContact O-N 2.97Å; L295-W298 PolarHBondContact O-N 3.46Å; I296-W298 VanDerWaalsContact C-N 3.25Å; I296-W298 PolarHBondContact O-N 2.98Å; W298-R301 WeakPolarHBondContact O-CB 3.45Å; W298-R301 PolarHBondContact O-N 3.23Å; W298-R301 VanDerWaalsContact O-N 3.16Å; W298-K302 HydrophobicContact CD2-CG 4.48Å; W298-K302 HydrophobicContact CH2-CB 4.33Å; W298-K302 HydrophobicContact CH2-CG 4.42Å; W298-K302 HydrophobicContact CZ2-CB 4.33Å; W298-K302 HydrophobicContact CZ2-CG 3.94Å; W298-K302 HydrophobicContact CZ3-CB 4.49Å; W298-K302 PolarHBondContact O-N 2.89Å
299V52.8Low55.5Low74 Ų7497.8 Ų97.845%0.44852%0.517SS..Hα-helixtrans-63.6-42.8178.5169.80000110.4L295 I296 R301 K302 N303L295-V299 HydrophobicContact CD1-CG2 4.35Å; L295-V299 HydrophobicContact CG-CG2 4.15Å; L295-V299 WeakPolarHBondContact O-CB 3.29Å; L295-V299 VanDerWaalsContact O-CG2 3.29Å; L295-V299 WeakPolarHBondContact O-CG2 3.34Å; L295-V299 PolarHBondContact O-N 3.31Å; I296-V299 PolarHBondContact O-N 2.89Å; V299-R301 PolarHBondContact O-N 3.44Å; V299-K302 PolarHBondContact O-N 3.37Å; V299-N303 PolarHBondContact O-N 3.33Å
300E58.4Low53.5Low146 Ų146102.4 Ų102.468%0.68253%0.53SS*.Hα-helixtrans-59.4-33.8173.6-74.6179.9168.700112.4I296I296-E300 WeakPolarHBondContact O-CG 3.43Å; I296-E300 PolarHBondContact O-N 3.49Å; I296-E300 VanDerWaalsContact O-N 3.1Å
301R60.6Low51.7Low144 Ų144107 Ų10754%0.54355%0.55SS.*Hα-helixtrans-76.6-25.8-179.1-163.9-179-63.5146.61.4113.9E293 E297 W298 V299E293-R301 IonicContact OE2-NH1 3.67Å; E297-R301 WeakPolarHBondContact O-CB 3.48Å; E297-R301 IonicContact OE1-NH2 3.61Å; W298-R301 WeakPolarHBondContact O-CB 3.45Å; W298-R301 PolarHBondContact O-N 3.23Å; W298-R301 VanDerWaalsContact O-N 3.16Å; V299-R301 PolarHBondContact O-N 3.44Å
302K52.7Low50.1Low114 Ų114105.3 Ų105.350%0.49655%0.546SS..Hα-helixtrans-112.9-4.7-165-83.6-77.9-177.9-179.30116.7W298 V299W298-K302 HydrophobicContact CD2-CG 4.48Å; W298-K302 HydrophobicContact CH2-CB 4.33Å; W298-K302 HydrophobicContact CH2-CG 4.42Å; W298-K302 HydrophobicContact CZ2-CB 4.33Å; W298-K302 HydrophobicContact CZ2-CG 3.94Å; W298-K302 HydrophobicContact CZ3-CB 4.49Å; W298-K302 PolarHBondContact O-N 2.89Å; V299-K302 PolarHBondContact O-N 3.37Å
303N44.3Very low48.5Very low137 Ų137107.2 Ų107.273%0.73356%0.561SS**  trans22.771.2171.9-85.9-18.8000114.3V299 P305V299-N303 PolarHBondContact O-N 3.33Å; N303-P305 WeakPolarHBondContact O-CD 3.29Å
304P41.1Very low47.1Very low97 Ų97109.8 Ų109.863%0.6358%0.576SS**  trans-69.2126.1-179.325.8-30.9000109.8
305P44.7Very low46.1Very low92 Ų92112.5 Ų112.560%0.59759%0.587SS**  trans-66.3141.9-178.124.3-31.3000111N303 E307 A308N303-P305 WeakPolarHBondContact O-CD 3.29Å; P305-E307 PolarHBondContact O-N 3.5Å; P305-A308 PolarHBondContact O-N 2.9Å; P305-A308 VanDerWaalsContact O-N 3.17Å
306A50.9Low45.1Very low90 Ų90114 Ų11474%0.74460%0.604SS**THydrogen-bonded Turntrans-55-13-176.900000114.8A308 M309A306-A308 VanDerWaalsContact C-N 3.35Å; A306-A308 PolarHBondContact O-N 2.98Å; A306-M309 PolarHBondContact O-N 3.5Å
307E47.9Very low44.2Very low156 Ų156114.1 Ų114.173%0.72961%0.605SS**Hα-helixtrans-67.3-28.6176.9-76.9174.9146.700113.9P305 M309 K310P305-E307 PolarHBondContact O-N 3.5Å; E307-M309 VanDerWaalsContact C-N 3.26Å; E307-M309 PolarHBondContact O-N 2.99Å; E307-K310 PolarHBondContact O-N 3.48Å
308A43Very low43.2Very low66 Ų66118.9 Ų118.955%0.54562%0.624SS.*Hα-helixtrans-66.2-28.4177.600000112.9P305 A306P305-A308 PolarHBondContact O-N 2.9Å; P305-A308 VanDerWaalsContact O-N 3.17Å; A306-A308 VanDerWaalsContact C-N 3.35Å; A306-A308 PolarHBondContact O-N 2.98Å
309M44Very low42.3Very low143 Ų143120.5 Ų120.570%0.70465%0.645SS**Hα-helixtrans-77.9-22.8177.5-71.6-72.4-94.600112.6A306 E307 L312A306-M309 PolarHBondContact O-N 3.5Å; E307-M309 VanDerWaalsContact C-N 3.26Å; E307-M309 PolarHBondContact O-N 2.99Å; M309-L312 HydrophobicContact SD-CD1 4.4Å
310K39.9Very low41.3Very low167 Ų167122 Ų12273%0.72666%0.659SS**Hα-helixtrans-77.6-29.4-179.2-135.6174.5-175.8179.30112.3E307 L312 S313E307-K310 PolarHBondContact O-N 3.48Å; K310-L312 PolarHBondContact O-N 2.81Å; K310-S313 PolarHBondContact O-N 3.41Å
311F39.4Very low40Very low159 Ų159119.9 Ų119.970%0.69766%0.661SS**Hα-helixtrans-70.8-28.2178-122.5-88.5000113.5S313 L314F311-S313 PolarHBondContact O-N 2.96Å; F311-L314 PolarHBondContact O-N 3.47Å
312L38.1Very low38.6Very low75 Ų75118.5 Ų118.539%0.39367%0.668SS.*Hα-helixtrans-67.8-24.9176.6-66.2175.5000112.7M309 K310M309-L312 HydrophobicContact SD-CD1 4.4Å; K310-L312 PolarHBondContact O-N 2.81Å
313S35.3Very low37.5Very low94 Ų94122.3 Ų122.366%0.65769%0.685SS**G310 helixtrans-75.4-22.3178.8-59.70000113.3K310 F311 L315K310-S313 PolarHBondContact O-N 3.41Å; F311-S313 PolarHBondContact O-N 2.96Å; S313-L315 VanDerWaalsContact C-N 3.33Å; S313-L315 PolarHBondContact O-N 3.25Å
314L34.5Very low37Very low116 Ų116122.4 Ų122.461%0.60769%0.685SS**G310 helixtrans-81.1-9.5179.9-78.4168.8000113.9F311 S316F311-L314 PolarHBondContact O-N 3.47Å; L314-S316 PolarHBondContact O-N 2.88Å
315L32.8Very low36.4Very low102 Ų102123.9 Ų123.953%0.53469%0.686SS.*G310 helixtrans-80.32.4179.5-69.3172.7000113.6R3 S313 L317R3-L315 PolarHBondContact NE-O 3.07Å; R3-L315 PolarHBondContact NH2-O 3.37Å; S313-L315 VanDerWaalsContact C-N 3.33Å; S313-L315 PolarHBondContact O-N 3.25Å; L315-L317 PolarHBondContact O-N 3.43Å
316S28.2Very low35.6Very low110 Ų110126.5 Ų126.577%0.76969%0.689SS**  trans-99.269.6176.3-155.70000111.9L314L314-S316 PolarHBondContact O-N 2.88Å
317L34Very low34.9Very low128 Ų128126.2 Ų126.267%0.6768%0.677SS**  trans-122.2132.8169-85148.4000110R3 L315R3-L317 PolarHBondContact NH1-O 3.08Å; R3-L317 PolarHBondContact NH2-O 2.94Å; L315-L317 PolarHBondContact O-N 3.43Å
318K31.2Very low34.3Very low202 Ų202128.8 Ų128.888%0.87868%0.68SS**PPolyproline II helixtrans-64.4150.8-168.7-87.9174.5176.7168.90113.2
319P34Very low34.1Very low118 Ų118130 Ų13077%0.76669%0.685SS**PPolyproline II helixtrans-76.3125.1-172.829.8-32.9000112.3
320S32.2Very low34Very low106 Ų106126 Ų12674%0.74167%0.668SS**PPolyproline II helixtrans-82.3119.415552.90000108.3T322S320-T322 PolarHBondContact O-N 3.36Å
321S32.1Very low34.6Very low102 Ų102124.1 Ų124.171%0.71367%0.666SS**  trans-69.692.1177.2160.90000110K323S321-K323 PolarHBondContact O-N 3.23Å
322T31.4Very low35.6Very low115 Ų115118.5 Ų118.571%0.70665%0.646SS**  trans-78.495.9157.944.20000108.2S320 L324S320-T322 PolarHBondContact O-N 3.36Å; T322-L324 VanDerWaalsContact C-N 3.33Å; T322-L324 PolarHBondContact O-N 3.48Å
323K28.6Very low36.8Very low194 Ų194119.2 Ų119.284%0.84366%0.656SS**  trans-65.896.1164.5-77.1-178.2178.7177.30107.4S321S321-K323 PolarHBondContact O-N 3.23Å
324L32.8Very low38.8Very low138 Ų138117.9 Ų117.972%0.72364%0.641SS**  trans-76.7138168.7-71.5172.4000109.3T322 K326T322-L324 VanDerWaalsContact C-N 3.33Å; T322-L324 PolarHBondContact O-N 3.48Å; L324-K326 PolarHBondContact O-N 2.92Å
325L28.8Very low40.7Very low128 Ų128112.9 Ų112.967%0.6762%0.615SS**  trans-65.8104.8-176.2-69.1165.6000110V327 L613L325-V327 PolarHBondContact O-N 3.34Å; L325-L613 HydrophobicContact CD1-CD2 3.77Å; L325-L613 HydrophobicContact CD2-CD2 3.92Å
326K29.1Very low42.7Very low148 Ų148109.9 Ų109.964%0.64360%0.602SS**  trans-74.4101.6163.4-78.7-176.7176.4177.90108.6L324 R328L324-K326 PolarHBondContact O-N 2.92Å; K326-R328 PolarHBondContact O-N 3.38Å
327V35.3Very low45.2Very low84 Ų84112.6 Ų112.651%0.50960%0.596SS.*  trans-79.8101.7166.6-177.70000106.9L325L325-V327 PolarHBondContact O-N 3.34Å
328R36Very low47.5Very low210 Ų210111.5 Ų111.579%0.79259%0.587SS**PPolyproline II helixtrans-72.5141.1172-76.1-177.5176.2165.1-1.7109.8K326 V330K326-R328 PolarHBondContact O-N 3.38Å; R328-V330 PolarHBondContact O-N 2.92Å
329S39.1Very low49.9Very low91 Ų91103 Ų10364%0.63655%0.552SS**PPolyproline II helixtrans-63.4118.3173.159.20000110.4
330V42.5Very low52.3Low58 Ų58102.4 Ų102.435%0.35254%0.538SS..PPolyproline II helixtrans-95.3159.81591760000107.3R328 S332 M606R328-V330 PolarHBondContact O-N 2.92Å; V330-S332 PolarHBondContact O-N 2.85Å; V330-M606 HydrophobicContact CG2-CE 3.79Å; V330-M606 HydrophobicContact CG2-CG 3.97Å; V330-M606 HydrophobicContact CG2-SD 3.94Å
331D50.5Low54.8Low128 Ų128103.7 Ų103.768%0.68453%0.53SS*.  trans-47.1114171.5-65.9-46.3000110.9D334 L335D331-D334 PolarHBondContact O-N 2.91Å; D331-L335 PolarHBondContact O-N 3.43Å
332S60.6Low57.2Low41 Ų41100.6 Ų100.629%0.28751%0.51SS..Hα-helixtrans-48.6-44.6-171.4176.70000115.3Q244 V330 D334 L335 S336Q244-S332 WeakPolarHBondContact CG-OG 3.35Å; V330-S332 PolarHBondContact O-N 2.85Å; S332-D334 PolarHBondContact O-N 2.97Å; S332-L335 PolarHBondContact O-N 2.91Å; S332-S336 PolarHBondContact O-N 3.44Å; S332-S336 VanDerWaalsContact O-N 3.08Å
333P65Low59.6Low90 Ų9095.4 Ų95.458%0.58448%0.479SS*.Hα-helixtrans-66.6-37.9-175.524.8-33.2000112.6R337P333-R337 PolarHBondContact O-N 2.93Å
334D75.5Confident62.4Low66 Ų6690.7 Ų90.735%0.35346%0.46SS..Hα-helixtrans-73.8-40.9178.8-76.2-31.5000110.9D331 S332 S336 R337 H338D331-D334 PolarHBondContact O-N 2.91Å; S332-D334 PolarHBondContact O-N 2.97Å; D334-S336 VanDerWaalsContact C-N 3.33Å; D334-S336 PolarHBondContact O-N 3.34Å; D334-R337 WeakPolarHBondContact O-CB 3.46Å; D334-R337 PolarHBondContact O-N 3.36Å; D334-R337 IonicContact OD1-CZ 3.03Å; D334-R337 IonicContact OD1-NH1 3.25Å; D334-H338 PolarHBondContact O-N 3.22Å; D334-H338 PolarHBondContact O-ND1 3.39Å
335L74.2Confident65Low11 Ų1188 Ų886%0.05845%0.446CS..Hα-helixtrans-59.5-45.3177.9-17859.8000111.7D331 S332 R337 H338 V339 M606D331-L335 PolarHBondContact O-N 3.43Å; S332-L335 PolarHBondContact O-N 2.91Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.25Å; L335-H338 PolarHBondContact O-N 3.02Å; L335-V339 HydrophobicContact CD1-CG2 3.73Å; L335-V339 HydrophobicContact CG-CG2 4.1Å; L335-V339 WeakPolarHBondContact O-CB 3.36Å; L335-V339 WeakPolarHBondContact O-CG2 3.49Å; L335-V339 PolarHBondContact O-N 2.87Å; L335-M606 HydrophobicContact CD1-CE 3.74Å
336S76.9Confident67.5Low39 Ų3984.3 Ų84.327%0.27343%0.427SS..Hα-helixtrans-58.3-42.4176.9-178.30000112.5S332 D334 K340S332-S336 PolarHBondContact O-N 3.44Å; S332-S336 VanDerWaalsContact O-N 3.08Å; D334-S336 VanDerWaalsContact C-N 3.33Å; D334-S336 PolarHBondContact O-N 3.34Å; S336-K340 VanDerWaalsContact O-CB 3.28Å; S336-K340 WeakPolarHBondContact O-CB 3.39Å; S336-K340 PolarHBondContact O-N 3.12Å
337R80.1Confident70.1Confident167 Ų16778 Ų7863%0.6340%0.401SS*.Hα-helixtrans-63.8-45.7175.9-169.5-172.2-60.8156.23.2112P333 D334 L335 K341P333-R337 PolarHBondContact O-N 2.93Å; D334-R337 WeakPolarHBondContact O-CB 3.46Å; D334-R337 PolarHBondContact O-N 3.36Å; D334-R337 IonicContact OD1-CZ 3.03Å; D334-R337 IonicContact OD1-NH1 3.25Å; L335-R337 VanDerWaalsContact C-N 3.3Å; L335-R337 PolarHBondContact O-N 3.25Å; R337-K341 WeakPolarHBondContact O-CB 3.37Å; R337-K341 PolarHBondContact O-N 2.99Å
338H82.1Confident72.5Confident105 Ų10580.3 Ų80.349%0.48640%0.404SS..Hα-helixtrans-66.2-43.9-179.1-73.496.6000112.1D334 L335 K341 A342D334-H338 PolarHBondContact O-N 3.22Å; D334-H338 PolarHBondContact O-ND1 3.39Å; L335-H338 PolarHBondContact O-N 3.02Å; H338-K341 PolarHBondContact O-N 3.44Å; H338-A342 WeakPolarHBondContact O-CB 3.31Å; H338-A342 PolarHBondContact O-N 3.27Å
339V81.4Confident74.9Confident24 Ų2477 Ų7715%0.14540%0.396CS..Hα-helixtrans-64.9-44.6178.4176.50000110.4Q236 V239 L335 K341 A342 A343Q236-V339 HydrophobicContact CB-CG1 4.12Å; Q236-V339 HydrophobicContact CG-CG1 3.92Å; V239-V339 HydrophobicContact CB-CG1 4Å; V239-V339 HydrophobicContact CB-CG2 4.19Å; V239-V339 HydrophobicContact CG1-CB 4.5Å; V239-V339 HydrophobicContact CG1-CG1 4.24Å; V239-V339 HydrophobicContact CG1-CG2 3.5Å; L335-V339 HydrophobicContact CD1-CG2 3.73Å; L335-V339 HydrophobicContact CG-CG2 4.1Å; L335-V339 WeakPolarHBondContact O-CB 3.36Å; L335-V339 WeakPolarHBondContact O-CG2 3.49Å; L335-V339 PolarHBondContact O-N 2.87Å; V339-K341 VanDerWaalsContact C-N 3.33Å; V339-K341 PolarHBondContact O-N 3.21Å; V339-A342 PolarHBondContact O-N 2.84Å; V339-A343 WeakPolarHBondContact O-CB 3.38Å; V339-A343 PolarHBondContact O-N 3.45Å
340K84.2Confident76.9Confident106 Ų10673.3 Ų73.346%0.46137%0.369SS..Hα-helixtrans-58.8-45174.9-175.4176-179.1-179.10111.7S336 A343 Q344S336-K340 VanDerWaalsContact O-CB 3.28Å; S336-K340 WeakPolarHBondContact O-CB 3.39Å; S336-K340 PolarHBondContact O-N 3.12Å; K340-A343 PolarHBondContact O-N 3.06Å; K340-Q344 WeakPolarHBondContact O-CB 3.35Å; K340-Q344 VanDerWaalsContact O-CG 3.27Å; K340-Q344 WeakPolarHBondContact O-CG 3.34Å; K340-Q344 PolarHBondContact O-N 2.89Å
341K85.2Confident78.8Confident132 Ų13270.9 Ų70.957%0.57436%0.355SS*.Hα-helixtrans-64.6-40.5177.4-170.7174.6-177.7177.50111.7R337 H338 V339 Q344 N345R337-K341 WeakPolarHBondContact O-CB 3.37Å; R337-K341 PolarHBondContact O-N 2.99Å; H338-K341 PolarHBondContact O-N 3.44Å; V339-K341 VanDerWaalsContact C-N 3.33Å; V339-K341 PolarHBondContact O-N 3.21Å; K341-Q344 PolarHBondContact O-N 3.35Å; K341-N345 VanDerWaalsContact O-CB 3.31Å; K341-N345 WeakPolarHBondContact O-CB 3.47Å; K341-N345 PolarHBondContact O-N 3.33Å; K341-N345 PolarHBondContact O-ND2 3.35Å
342A82.4Confident80.4Confident37 Ų3769.1 Ų69.131%0.30635%0.346SS..Hα-helixtrans-64-47.2176.700000111.7H338 V339 Q344 N345 M346H338-A342 WeakPolarHBondContact O-CB 3.31Å; H338-A342 PolarHBondContact O-N 3.27Å; V339-A342 PolarHBondContact O-N 2.84Å; A342-Q344 PolarHBondContact O-N 2.89Å; A342-N345 PolarHBondContact O-N 3.39Å; A342-M346 HydrophobicContact CB-CE 4.03Å; A342-M346 WeakPolarHBondContact O-CE 3.47Å; A342-M346 WeakPolarHBondContact O-CG 3.45Å; A342-M346 PolarHBondContact O-N 3.37Å
343A82.5Confident81.5Confident7 Ų772 Ų726%0.05835%0.351CS..Hα-helixtrans-57.5-48.4175.400000111.5M232 Q236 V339 K340 N345 M346 S347M232-A343 HydrophobicContact CB-CB 4.24Å; Q236-A343 HydrophobicContact CB-CB 4.3Å; V339-A343 WeakPolarHBondContact O-CB 3.38Å; V339-A343 PolarHBondContact O-N 3.45Å; K340-A343 PolarHBondContact O-N 3.06Å; A343-N345 PolarHBondContact O-N 3.33Å; A343-M346 PolarHBondContact O-N 2.84Å; A343-S347 PolarHBondContact O-N 3.44Å; A343-S347 PolarHBondContact O-OG 2.76Å
344Q87.1Confident82.2Confident95 Ų9567.9 Ų67.944%0.44432%0.323SS..Hα-helixtrans-61.7-41176.2-73177.6-17.300112.8K340 K341 A342 S347 K348K340-Q344 WeakPolarHBondContact O-CB 3.35Å; K340-Q344 VanDerWaalsContact O-CG 3.27Å; K340-Q344 WeakPolarHBondContact O-CG 3.34Å; K340-Q344 PolarHBondContact O-N 2.89Å; K341-Q344 PolarHBondContact O-N 3.35Å; A342-Q344 PolarHBondContact O-N 2.89Å; Q344-S347 PolarHBondContact O-N 2.96Å; Q344-K348 WeakPolarHBondContact O-CB 3.39Å; Q344-K348 VanDerWaalsContact O-CG 3.31Å; Q344-K348 WeakPolarHBondContact O-CG 3.36Å; Q344-K348 PolarHBondContact O-N 2.7Å
345N86.6Confident82.5Confident80 Ų8071.1 Ų71.143%0.42834%0.336SS..Hα-helixtrans-66.8-37.6177.3-75.6-10.2000111.8K341 A342 A343 K348 F349K341-N345 VanDerWaalsContact O-CB 3.31Å; K341-N345 WeakPolarHBondContact O-CB 3.47Å; K341-N345 PolarHBondContact O-N 3.33Å; K341-N345 PolarHBondContact O-ND2 3.35Å; A342-N345 PolarHBondContact O-N 3.39Å; A343-N345 PolarHBondContact O-N 3.33Å; N345-K348 PolarHBondContact O-N 2.67Å; N345-F349 VanDerWaalsContact O-CB 3.29Å; N345-F349 WeakPolarHBondContact O-CB 3.12Å; N345-F349 PolarHBondContact O-N 2.85Å
346M81Confident82.9Confident52 Ų5278.2 Ų78.226%0.25636%0.362SS..Hα-helixtrans-66-44175-77.6-175.9-99.200111.7W228 M232 A342 A343 K348 F349 F350 C614W228-M346 HydrophobicContact CZ2-CB 4.43Å; M232-M346 HydrophobicContact SD-CB 3.89Å; M232-M346 HydrophobicContact SD-CE 4.38Å; M232-M346 HydrophobicContact SD-SD 3.92Å; A342-M346 HydrophobicContact CB-CE 4.03Å; A342-M346 WeakPolarHBondContact O-CE 3.47Å; A342-M346 WeakPolarHBondContact O-CG 3.45Å; A342-M346 PolarHBondContact O-N 3.37Å; A343-M346 PolarHBondContact O-N 2.84Å; M346-K348 VanDerWaalsContact C-N 3.35Å; M346-K348 PolarHBondContact O-N 3.31Å; M346-F349 PolarHBondContact O-N 3.23Å; M346-F350 WeakPolarHBondContact O-CB 3.41Å; M346-F350 PolarHBondContact O-N 3.32Å; M346-C614 VanDerWaalsContact CE-SG 3.58Å
347S84.8Confident83.2Confident16 Ų1677.3 Ų77.311%0.11236%0.355CS..Hα-helixtrans-59.1-43.2172.4-69.60000112.8N229 A343 Q344 G351N229-S347 WeakPolarHBondContact OD1-CB 3.32Å; N229-S347 PolarHBondContact OD1-OG 3.47Å; A343-S347 PolarHBondContact O-N 3.44Å; A343-S347 PolarHBondContact O-OG 2.76Å; Q344-S347 PolarHBondContact O-N 2.96Å; S347-G351 PolarHBondContact O-N 3.33Å
348K85.8Confident83.3Confident132 Ų13269.7 Ų69.757%0.57433%0.327SS*.Hα-helixtrans-65.6-45.4175.5-74.6176.8-179.2-176.20112.2Q344 N345 M346 F350 G351 N352Q344-K348 WeakPolarHBondContact O-CB 3.39Å; Q344-K348 VanDerWaalsContact O-CG 3.31Å; Q344-K348 WeakPolarHBondContact O-CG 3.36Å; Q344-K348 PolarHBondContact O-N 2.7Å; N345-K348 PolarHBondContact O-N 2.67Å; M346-K348 VanDerWaalsContact C-N 3.35Å; M346-K348 PolarHBondContact O-N 3.31Å; K348-F350 VanDerWaalsContact C-N 3.3Å; K348-F350 PolarHBondContact O-N 3.23Å; K348-G351 PolarHBondContact O-N 3.49Å; K348-N352 WeakPolarHBondContact O-CB 3.39Å; K348-N352 PolarHBondContact O-N 3.43Å; K348-N352 PolarHBondContact O-OD1 2.82Å
349F84.4Confident83.2Confident141 Ų14169.4 Ų69.462%0.61833%0.326SS*.Hα-helixtrans-58.4-45.8177.1173.4-96.6000110.9N345 M346 N352 W353N345-F349 VanDerWaalsContact O-CB 3.29Å; N345-F349 WeakPolarHBondContact O-CB 3.12Å; N345-F349 PolarHBondContact O-N 2.85Å; M346-F349 PolarHBondContact O-N 3.23Å; F349-N352 PolarHBondContact O-N 2.93Å; F349-W353 WeakPolarHBondContact O-CB 3.35Å; F349-W353 PolarHBondContact O-N 3.21Å
350F81.5Confident83.1Confident13 Ų1373.3 Ų73.36%0.05734%0.344CS..Hα-helixtrans-60.5-47.3177.7-175.5-105.4000112.2L224 W228 M346 K348 W353 L354L224-F350 HydrophobicContact CD1-CZ 4.49Å; L224-F350 HydrophobicContact CD2-CE1 4.34Å; L224-F350 HydrophobicContact CD2-CZ 3.66Å; L224-F350 HydrophobicContact CG-CE1 4.03Å; L224-F350 HydrophobicContact CG-CZ 3.68Å; W228-F350 HydrophobicContact CB-CD1 4.06Å; W228-F350 HydrophobicContact CB-CE1 4Å; W228-F350 AromaticContact CD1-CD1 3.77Å; W228-F350 AromaticContact CD1-CG 3.9Å; W228-F350 HydrophobicContact CD2-CB 4.47Å; W228-F350 HydrophobicContact CD2-CD1 4.28Å; W228-F350 HydrophobicContact CD2-CD2 4.25Å; W228-F350 HydrophobicContact CD2-CG 4.07Å; W228-F350 HydrophobicContact CG-CB 4.42Å; W228-F350 AromaticContact CG-CD1 3.75Å; W228-F350 HydrophobicContact CG-CD1 3.75Å; W228-F350 HydrophobicContact CG-CE1 4.12Å; W228-F350 AromaticContact CG-CG 3.99Å; W228-F350 HydrophobicContact CG-CG 3.99Å; W228-F350 AromaticContact NE1-CG 3.92Å; M346-F350 WeakPolarHBondContact O-CB 3.41Å; M346-F350 PolarHBondContact O-N 3.32Å; K348-F350 VanDerWaalsContact C-N 3.3Å; K348-F350 PolarHBondContact O-N 3.23Å; F350-W353 HydrophobicContact CE2-CE3 4.42Å; F350-W353 HydrophobicContact CE2-CZ3 4.37Å; F350-W353 PolarHBondContact O-N 3.46Å; F350-L354 HydrophobicContact CD1-CD1 4.01Å; F350-L354 HydrophobicContact CE1-CD1 3.41Å; F350-L354 VanDerWaalsContact CE1-CD1 3.41Å; F350-L354 HydrophobicContact CE1-CG 4.46Å; F350-L354 HydrophobicContact CE2-CD1 4.28Å; F350-L354 HydrophobicContact CZ-CD1 3.56Å; F350-L354 HydrophobicContact CZ-CG 4.36Å; F350-L354 PolarHBondContact O-N 3.35Å
351G82.5Confident82.7Confident7 Ų771.9 Ų71.97%0.07234%0.341CS..Hα-helixtrans-60.7-45.8174.700000112.8S347 K348 W353 L354 Q355S347-G351 PolarHBondContact O-N 3.33Å; K348-G351 PolarHBondContact O-N 3.49Å; G351-W353 PolarHBondContact O-N 3.43Å; G351-L354 PolarHBondContact O-N 3.04Å; G351-Q355 WeakPolarHBondContact O-CG 3.36Å; G351-Q355 PolarHBondContact O-N 3.06Å
352N84.3Confident82.3Confident90 Ų9065.8 Ų65.848%0.48132%0.315SS..Hα-helixtrans-64.5-40.2178.8-70-5.9000112.3K348 F349 Q355 R356K348-N352 WeakPolarHBondContact O-CB 3.39Å; K348-N352 PolarHBondContact O-N 3.43Å; K348-N352 PolarHBondContact O-OD1 2.82Å; F349-N352 PolarHBondContact O-N 2.93Å; N352-Q355 PolarHBondContact O-N 3.2Å; N352-R356 WeakPolarHBondContact O-CG 3.18Å; N352-R356 PolarHBondContact O-N 3.49Å
353W83.9Confident81.7Confident103 Ų10370.6 Ų70.639%0.3933%0.331SS..Hα-helixtrans-62.9-45.4176.5173.273.8000110.8F349 F350 G351 Q355 R356 V357F349-W353 WeakPolarHBondContact O-CB 3.35Å; F349-W353 PolarHBondContact O-N 3.21Å; F350-W353 HydrophobicContact CE2-CE3 4.42Å; F350-W353 HydrophobicContact CE2-CZ3 4.37Å; F350-W353 PolarHBondContact O-N 3.46Å; G351-W353 PolarHBondContact O-N 3.43Å; W353-Q355 VanDerWaalsContact C-N 3.32Å; W353-Q355 PolarHBondContact O-N 2.99Å; W353-R356 PolarHBondContact O-N 3.42Å; W353-R356 VanDerWaalsContact O-N 3.13Å; W353-V357 PolarHBondContact O-N 3.13Å
354L78.9Confident80.3Confident3 Ų373.3 Ų73.32%0.01634%0.344CS..Hα-helixtrans-63.5-36.4176-75.6176.1000112.8F220 H221 L224 F350 G351 R356 V357F220-L354 HydrophobicContact CE2-CD2 3.89Å; H221-L354 WeakPolarHBondContact CD2-CD1 3.5Å; L224-L354 HydrophobicContact CD2-CD1 4.43Å; F350-L354 HydrophobicContact CD1-CD1 4.01Å; F350-L354 HydrophobicContact CE1-CD1 3.41Å; F350-L354 VanDerWaalsContact CE1-CD1 3.41Å; F350-L354 HydrophobicContact CE1-CG 4.46Å; F350-L354 HydrophobicContact CE2-CD1 4.28Å; F350-L354 HydrophobicContact CZ-CD1 3.56Å; F350-L354 HydrophobicContact CZ-CG 4.36Å; F350-L354 PolarHBondContact O-N 3.35Å; G351-L354 PolarHBondContact O-N 3.04Å; L354-R356 PolarHBondContact O-N 3.42Å; L354-V357 HydrophobicContact CD2-CG2 4.36Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.37Å; L354-V357 VanDerWaalsContact O-N 3.17Å
355Q82.9Confident78.3Confident133 Ų13373.6 Ų73.662%0.62135%0.354SS*.Hα-helixtrans-64.7-25.3175.1-75.8176.6-4.900113.5G351 N352 W353 P358G351-Q355 WeakPolarHBondContact O-CG 3.36Å; G351-Q355 PolarHBondContact O-N 3.06Å; N352-Q355 PolarHBondContact O-N 3.2Å; W353-Q355 VanDerWaalsContact C-N 3.32Å; W353-Q355 PolarHBondContact O-N 2.99Å; Q355-P358 WeakPolarHBondContact O-CD 3.48Å
356R83.1Confident76.2Confident160 Ų16074.5 Ų74.560%0.60437%0.367SS*.Hα-helixtrans-83.5-12.5175.7-70.6177.3177.7-168.6-2.9113.5N352 W353 L354 E359 M360N352-R356 WeakPolarHBondContact O-CG 3.18Å; N352-R356 PolarHBondContact O-N 3.49Å; W353-R356 PolarHBondContact O-N 3.42Å; W353-R356 VanDerWaalsContact O-N 3.13Å; L354-R356 PolarHBondContact O-N 3.42Å; R356-E359 PolarHBondContact O-N 2.89Å; R356-M360 HydrophobicContact CB-CE 4.28Å; R356-M360 WeakPolarHBondContact O-CG 3.27Å; R356-M360 PolarHBondContact O-N 3.29Å
357V81.8Confident74.1Confident20 Ų2075.2 Ų75.212%0.12138%0.381CS..Hα-helixtrans-57.8-44.4-178.7172.30000112.7V217 W353 L354 E359 M360 I361V217-V357 HydrophobicContact CG2-CB 4.17Å; V217-V357 HydrophobicContact CG2-CG1 3.82Å; W353-V357 PolarHBondContact O-N 3.13Å; L354-V357 HydrophobicContact CD2-CG2 4.36Å; L354-V357 WeakPolarHBondContact O-CB 3.26Å; L354-V357 PolarHBondContact O-N 3.37Å; L354-V357 VanDerWaalsContact O-N 3.17Å; V357-E359 VanDerWaalsContact C-N 3.34Å; V357-E359 PolarHBondContact O-N 3.41Å; V357-M360 HydrophobicContact CB-CE 4.32Å; V357-M360 HydrophobicContact CG2-CE 3.8Å; V357-M360 PolarHBondContact O-N 3.35Å; V357-I361 HydrophobicContact CG1-CD1 3.54Å; V357-I361 HydrophobicContact CG1-CG1 4.26Å; V357-I361 WeakPolarHBondContact O-CB 3.36Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.28Å; V357-I361 PolarHBondContact O-N 3.26Å
358P82.3Confident72Confident8 Ų876 Ų765%0.05239%0.387CS..Hα-helixtrans-59.5-42.7174.9-23.334.6000113.3L210 V213 S214 V217 Q355 I361 C362L210-P358 HydrophobicContact CD2-CB 4.19Å; V213-P358 HydrophobicContact CB-CB 4.23Å; V213-P358 HydrophobicContact CG1-CB 3.97Å; V213-P358 HydrophobicContact CG1-CG 4.19Å; S214-P358 WeakPolarHBondContact OG-CB 3.33Å; S214-P358 WeakPolarHBondContact OG-CG 3.42Å; V217-P358 HydrophobicContact CB-CG 4.44Å; V217-P358 HydrophobicContact CG2-CG 4.13Å; Q355-P358 WeakPolarHBondContact O-CD 3.48Å; P358-I361 PolarHBondContact O-N 2.93Å; P358-C362 WeakPolarHBondContact O-CB 3.13Å; P358-C362 PolarHBondContact O-N 3.49Å; P358-C362 PolarHBondContact O-SG 2.86Å
359E81.1Confident69.8Low99 Ų9973.9 Ų73.946%0.46339%0.394SS..Hα-helixtrans-63.1-48.7176.1-66.2173.2172.300110.4L210 R356 V357 I361 C362 E363L210-E359 HydrophobicContact CD2-CG 4.39Å; R356-E359 PolarHBondContact O-N 2.89Å; V357-E359 VanDerWaalsContact C-N 3.34Å; V357-E359 PolarHBondContact O-N 3.41Å; E359-I361 VanDerWaalsContact C-N 3.27Å; E359-I361 PolarHBondContact O-N 3.06Å; E359-C362 PolarHBondContact O-N 2.62Å; E359-E363 WeakPolarHBondContact O-CA 3.39Å; E359-E363 WeakPolarHBondContact O-CB 3.48Å; E359-E363 WeakPolarHBondContact O-CG 3.37Å; E359-E363 PolarHBondContact O-N 2.89Å
360M78.4Confident67.6Low105 Ų10575.9 Ų75.952%0.51740%0.402SS..Hα-helixtrans-61-32.4178.5-68.7-174.8-64.200113.9R356 V357R356-M360 HydrophobicContact CB-CE 4.28Å; R356-M360 WeakPolarHBondContact O-CG 3.27Å; R356-M360 PolarHBondContact O-N 3.29Å; V357-M360 HydrophobicContact CB-CE 4.32Å; V357-M360 HydrophobicContact CG2-CE 3.8Å; V357-M360 PolarHBondContact O-N 3.35Å
361I75.8Confident65.5Low76 Ų7683.7 Ų83.739%0.3943%0.433SS..Hα-helixtrans-81.6-37.3178.7-67.4172.4000111.4V213 V357 P358 E359V213-I361 HydrophobicContact CG1-CB 4.32Å; V213-I361 HydrophobicContact CG1-CD1 3.86Å; V213-I361 HydrophobicContact CG1-CG2 4.45Å; V213-I361 HydrophobicContact CG2-CG2 4.02Å; V357-I361 HydrophobicContact CG1-CD1 3.54Å; V357-I361 HydrophobicContact CG1-CG1 4.26Å; V357-I361 WeakPolarHBondContact O-CB 3.36Å; V357-I361 VanDerWaalsContact O-CG1 3.3Å; V357-I361 WeakPolarHBondContact O-CG1 3.28Å; V357-I361 PolarHBondContact O-N 3.26Å; P358-I361 PolarHBondContact O-N 2.93Å; E359-I361 VanDerWaalsContact C-N 3.27Å; E359-I361 PolarHBondContact O-N 3.06Å
362C76.6Confident63.3Low5 Ų587.7 Ų87.73%0.03447%0.474CS..Hα-helixtrans-95.7-18-173.3-63.10000114.3N206 C209 L210 P358 E359 L364N206-C362 PolarHBondContact OD1-O 2.85Å; C209-C362 HydrophobicContact CB-CB 3.8Å; C209-C362 WeakPolarHBondContact CB-SG 3.01Å; C209-C362 PolarHBondContact O-SG 3.38Å; C209-C362 WeakPolarHBondContact SG-CA 3.35Å; C209-C362 WeakPolarHBondContact SG-CB 3.21Å; C209-C362 CovalentContact SG-SG 2.04Å; C209-C362 PolarHBondContact SG-SG 2.93Å; L210-C362 HydrophobicContact CD2-CB 3.72Å; L210-C362 HydrophobicContact CG-CB 3.9Å; L210-C362 PolarHBondContact N-SG 3.35Å; P358-C362 WeakPolarHBondContact O-CB 3.13Å; P358-C362 PolarHBondContact O-N 3.49Å; P358-C362 PolarHBondContact O-SG 2.86Å; E359-C362 PolarHBondContact O-N 2.62Å; C362-L364 PolarHBondContact O-N 2.92Å
363E71.4Confident61.4Low137 Ų13786.4 Ų86.464%0.6447%0.465SS*.  trans-66.786.7165.6-76.4-176.317800108.5E359E359-E363 WeakPolarHBondContact O-CA 3.39Å; E359-E363 WeakPolarHBondContact O-CB 3.48Å; E359-E363 WeakPolarHBondContact O-CG 3.37Å; E359-E363 PolarHBondContact O-N 2.89Å
364L51.6Low59.7Low65 Ų6590.4 Ų90.434%0.3449%0.485SS..  trans-56.4132.3162.5-75.1151000107.8F203 C362 S366F203-L364 HydrophobicContact CB-CD1 4.31Å; F203-L364 HydrophobicContact CD1-CD2 3.84Å; F203-L364 HydrophobicContact CE1-CD2 3.98Å; F203-L364 HydrophobicContact CG-CD1 4.45Å; F203-L364 HydrophobicContact CG-CD2 4.27Å; C362-L364 PolarHBondContact O-N 2.92Å; L364-S366 PolarHBondContact O-N 3.24Å
365P45.1Very low58.4Low101 Ų10193.5 Ų93.566%0.65651%0.506SS*.  trans-53.3138.9164.923-29.7000106.9A367 S368P365-A367 PolarHBondContact O-N 3.01Å; P365-S368 PolarHBondContact O-N 3.46Å
366S43.4Very low56.8Low99 Ų9990.4 Ų90.469%0.69249%0.493SS*.THydrogen-bonded Turntrans-48.37.1-17745.80000117.2L364 S368L364-S366 PolarHBondContact O-N 3.24Å; S366-S368 VanDerWaalsContact C-N 3.31Å
367A35.9Very low55.1Low67 Ų6790.6 Ų90.655%0.55450%0.499SS*.THydrogen-bonded Turntrans-62.2-29.5163.600000113.8P365P365-A367 PolarHBondContact O-N 3.01Å
368S40.7Very low53.3Low32 Ų3294.7 Ų94.722%0.22452%0.524CS..SBendtrans-76.5-23.4178.262.90000114P365 S366 K370 Y371P365-S368 PolarHBondContact O-N 3.46Å; S366-S368 VanDerWaalsContact C-N 3.31Å; S368-K370 VanDerWaalsContact C-N 3.33Å; S368-Y371 VanDerWaalsContact O-O 3.05Å
369A40.7Very low51.1Low88 Ų88101.1 Ų101.173%0.72755%0.551SS**THydrogen-bonded Turntrans-76.8-18.8177.500000113.2
370K37.7Very low49Very low182 Ų182106 Ų10679%0.79157%0.57SS**THydrogen-bonded Turntrans-81-22.2-177.2-83.6-172.9175.5-178.80114.4S368S368-K370 VanDerWaalsContact C-N 3.33Å
371Y37.2Very low46.7Very low178 Ų178105.1 Ų105.170%0.69857%0.568SS**THydrogen-bonded Turntrans-115.4129.8174.6-75.5-88.4000107.4S368 Q373S368-Y371 VanDerWaalsContact O-O 3.05Å; Y371-Q373 WeakPolarHBondContact O-CG 3.04Å; Y371-Q373 PolarHBondContact O-N 2.89Å
372G37.1Very low44.8Very low91 Ų91106.4 Ų106.494%0.93857%0.574SS**THydrogen-bonded Turntrans-61.469.5-178.900000113.5K374G372-K374 PolarHBondContact O-N 3.15Å
373Q43.7Very low42.7Very low62 Ų62114.2 Ų114.229%0.2962%0.615SS.*  trans-73.6121.5-173.6-78-179.6-0.600109.6Y371 C375Y371-Q373 WeakPolarHBondContact O-CG 3.04Å; Y371-Q373 PolarHBondContact O-N 2.89Å; Q373-C375 PolarHBondContact O-N 3.46Å
374K48.2Very low40.8Very low188 Ų188116.5 Ų116.582%0.81762%0.623SS**  trans-73.8106.6172.2-69.4176-178.5172.90108.2G372G372-K374 PolarHBondContact O-N 3.15Å
375C51.5Low39.8Very low67 Ų67117.9 Ų117.945%0.45364%0.638SS.*  trans-76.3131.7173.482.90000110.2C205 Q373 K377C205-C375 HydrophobicContact CB-CB 3.72Å; C205-C375 WeakPolarHBondContact CB-SG 3.14Å; C205-C375 VanDerWaalsContact SG-C 3.57Å; C205-C375 WeakPolarHBondContact SG-CB 3.5Å; C205-C375 CovalentContact SG-SG 2.04Å; C205-C375 PolarHBondContact SG-SG 3.36Å; Q373-C375 PolarHBondContact O-N 3.46Å; C375-K377 PolarHBondContact O-N 3.29Å
376L50.1Low39.2Very low69 Ų69122.1 Ų122.136%0.36164%0.641SS.*BIsolated β-bridgetrans-76.3112.9174.9-79.3169.2000109.1L202L202-L376 HydrophobicContact CD2-CD1 3.6Å; L202-L376 HydrophobicContact CD2-CD2 4.42Å; L202-L376 HydrophobicContact CD2-CG 3.61Å
377K46.8Very low38.6Very low164 Ų164124.3 Ų124.371%0.71365%0.645SS**  trans-74.8124.2156.8-70.9-175.8-179.8178.80107C375 K379C375-K377 PolarHBondContact O-N 3.29Å; K377-K379 PolarHBondContact O-N 3.07Å
378T44.5Very low38.4Very low105 Ų105130.6 Ų130.664%0.64466%0.663SS**  trans-62.985.9166.3-33.90000107.6K380T378-K380 PolarHBondContact O-N 3.02Å
379K36.2Very low38Very low144 Ų144133.6 Ų133.663%0.62668%0.684SS**  trans-66.7112.9-179.2-149.5179.7-174.9-179.90105.6K377 N381 I382K377-K379 PolarHBondContact O-N 3.07Å; K379-N381 HydrophobicContact CD-CB 4.42Å; K379-N381 HydrophobicContact CG-CB 4.17Å; K379-N381 PolarHBondContact O-N 3.34Å; K379-I382 PolarHBondContact O-N 3.16Å
380K36.5Very low37.3Very low201 Ų201140 Ų14087%0.87469%0.69SS**THydrogen-bonded Turntrans-50.1-10.4170.5-136.1175.6-175.7178.30113T378T378-K380 PolarHBondContact O-N 3.02Å
381N29.1Very low36.8Very low86 Ų86138.4 Ų138.446%0.4669%0.689SS.*THydrogen-bonded Turntrans-94.51.8-179.8-63-13.4000115.7K379 L383 K384 S385K379-N381 HydrophobicContact CD-CB 4.42Å; K379-N381 HydrophobicContact CG-CB 4.17Å; K379-N381 PolarHBondContact O-N 3.34Å; N381-L383 PolarHBondContact O-N 2.97Å; N381-K384 PolarHBondContact O-N 2.98Å; N381-S385 PolarHBondContact O-N 3.23Å
382I36.2Very low36.2Very low103 Ų103135.2 Ų135.253%0.52869%0.693SS.*THydrogen-bonded Turntrans-65.9-21.9169.3-60.5176.4000110.7K379K379-I382 PolarHBondContact O-N 3.16Å
383L33.9Very low35.7Very low169 Ų169136.7 Ų136.789%0.88568%0.684SS**THydrogen-bonded Turntrans-81.4-5.9170.7-94.7139.2000114.8N381N381-L383 PolarHBondContact O-N 2.97Å
384K30.1Very low35Very low186 Ų186143.1 Ų143.181%0.80971%0.711SS**THydrogen-bonded Turntrans-108-11.9175.5-83.3-169.3174.9-172.60114.1N381N381-K384 PolarHBondContact O-N 2.98Å
385S32.3Very low34Very low94 Ų94141.9 Ų141.966%0.65771%0.713SS**SBendtrans-116.322.3-178.478.70000113.6N381N381-S385 PolarHBondContact O-N 3.23Å
386R31.7Very low32.7Very low190 Ų190145.2 Ų145.272%0.71773%0.726SS**SBendtrans-112.4101.7168.3-144.3175.9-174.3171.31.9108.2
387D30Very low31.6Very low144 Ų144149.9 Ų149.977%0.7775%0.752SS**  trans-38147176.8-73.2-53.6000113.5S389D387-S389 PolarHBondContact O-N 2.87Å
388E32.8Very low30.7Very low199 Ų199146.8 Ų146.893%0.9375%0.751SS**SBendtrans-54.521.7177.5-64.4174.4133.600115.8
389S31.6Very low29.8Very low96 Ų96150.1 Ų150.167%0.67176%0.758SS**SBendtrans-91-7-171.3175.90000115.2D387D387-S389 PolarHBondContact O-N 2.87Å
390Y26Very low29.3Very low221 Ų221151.7 Ų151.787%0.86777%0.773SS**SBendtrans-142.527-176.9-118.1-86.5000116.7
391I27.7Very low28.9Very low149 Ų149146.2 Ų146.276%0.76477%0.765SS**  trans-117.657.7161.7-47.7179.7000108.4
392S25.4Very low28.6Very low111 Ų111147.6 Ų147.678%0.77678%0.781SS**  trans-104.268.4158.5-76.70000107.9
393T26.6Very low28.2Very low122 Ų122148.6 Ų148.675%0.74879%0.792SS**SBendtrans16887.915524.50000107
394F28.2Very low27.6Very low198 Ų198147.3 Ų147.387%0.86879%0.786SS**SBendtrans179.7122.8131.2-95.3-70.8000107.6
395L27.3Very low27.4Very low162 Ų162146.7 Ų146.785%0.84879%0.786SS**  trans-54.1147.3-159.8-88.474.2000116.5
396D24.8Very low27Very low136 Ų136148.3 Ų148.373%0.72779%0.792SS**  trans-14.3123.1146.9-72.5-46.4000115.8
397N26.3Very low26.8Very low168 Ų168145.9 Ų145.990%0.89879%0.792SS**  trans-15066.6146.6-99.2-20.1000108.5
398S27.2Very low26.5Very low99 Ų99143.9 Ų143.969%0.69279%0.787SS**  trans-11062.316459.70000109.7
399H26.4Very low26.3Very low175 Ų175140.4 Ų140.481%0.8178%0.782SS**  trans-136.194.3156-85.6-74.8000106.1
400L26Very low25.9Very low177 Ų177142.1 Ų142.193%0.92779%0.788SS**SBendtrans172.1138.2141.2-103116.2000110
401A27.6Very low25.8Very low86 Ų86137.4 Ų137.471%0.71178%0.782SS**  trans79.558167.300000117.6T403A401-T403 PolarHBondContact O-N 3.32Å
402S22.3Very low25.8Very low114 Ų114136 Ų13680%0.79779%0.786SS**  trans-72.1102.8134.1159.50000107.9
403T27.2Very low25.7Very low125 Ų125137.2 Ų137.277%0.76778%0.784SS**  trans-128.1103.4157.344.40000108A401 E405A401-T403 PolarHBondContact O-N 3.32Å; T403-E405 PolarHBondContact O-N 3.19Å
404N23.1Very low25.9Very low141 Ų141139.2 Ų139.275%0.75479%0.789SS**  trans-52.8120.5161.7-86.1-21.8000109.6
405E25.6Very low25.6Very low174 Ų174137.8 Ų137.881%0.81379%0.788SS**  trans-128.693.9147.7-86.7-169.4154.400108.6T403 I407T403-E405 PolarHBondContact O-N 3.19Å; E405-I407 PolarHBondContact O-N 3.44Å
406T22.5Very low26Very low128 Ų128134.6 Ų134.679%0.78578%0.777SS**  trans-73.4106.6164.1-550000107.5
407I28Very low26Very low139 Ų139134.8 Ų134.871%0.71378%0.783SS**  trans-105.5128.8169.8-61.3179.4000108.4E405E405-I407 PolarHBondContact O-N 3.44Å
408P24.4Very low25.9Very low102 Ų102134.4 Ų134.466%0.66278%0.78SS**  trans-82.6164.3-16734.2-36.2000113.8
409P27.4Very low25.6Very low126 Ų126135 Ų13582%0.81878%0.784SS**  trans-89.9141.7-172.435.4-31.4000112.1
410T24.5Very low25.3Very low132 Ų132133.3 Ų133.381%0.8179%0.786SS**  trans-146.1101.8164.2-50000110.4
411V22.5Very low25.1Very low122 Ų122130.4 Ų130.474%0.73978%0.776SS**  trans32.8111.5137.2-169.30000118.2
412S28.5Very low24.8Very low120 Ų120131.6 Ų131.684%0.83977%0.774SS**  -158.8121.3125.9-82.20000110.3
413D24.1Very low24.9Very low136 Ų136132.5 Ų132.573%0.72778%0.777SS**  trans-55137161.7-62.9-68.2000111.2
414D29.5Very low24.7Very low163 Ų163134.9 Ų134.987%0.87278%0.779SS**  175.1132113.6-95.2-36.8000112.5
415M22.7Very low24.5Very low168 Ų168132.8 Ų132.883%0.82878%0.776SS**  trans-53.2-177.2171-101.8173.440.500115.3
416P34.5Very low24.3Very low96 Ų96129.3 Ų129.362%0.62377%0.771SS**  cis-133.4147.4-26.830.1-11.8000112.7
417V26.2Very low24.2Very low140 Ų140131 Ų13185%0.84877%0.774SS**  trans-97.7122.6161.6175.10000108.2S419V417-S419 PolarHBondContact O-N 3.17Å
418L23.4Very low24Very low160 Ų160129.5 Ų129.584%0.83877%0.774SS**  trans-48.4115.6176-105.676.5000111.6
419S21.4Very low23.8Very low111 Ų111133.3 Ų133.378%0.77678%0.783SS**  trans-80.4112.8163.5-66.70000109.7V417V417-S419 PolarHBondContact O-N 3.17Å
420T20.9Very low23.6Very low140 Ų140130.8 Ų130.886%0.85977%0.772SS**  trans-84.9110.6156.239.30000108.9
421T21.7Very low23.4Very low116 Ų116130.5 Ų130.571%0.71277%0.771SS**  trans-111.9122.2171.9-2.70000110.1
422T20.3Very low23.5Very low111 Ų111132.9 Ų132.968%0.68177%0.773SS**  trans55.7128.2141.538.60000120.9
423P24.2Very low23.1Very low132 Ų132135.3 Ų135.386%0.85777%0.772SS**  trans-113.7120.4139.425.6-9.3000110.9
424H22.9Very low23.4Very low175 Ų175134.2 Ų134.281%0.8177%0.772SS**  trans-95.1138.9164.6-112.2-62.6000109.4
425S19Very low23.2Very low98 Ų98136.4 Ų136.469%0.68577%0.774SS**  trans76120133.5-154.60000121.9
426S22.4Very low23.2Very low101 Ų101134.2 Ų134.271%0.70677%0.77SS**  72112.213057.90000122.4
427L20.4Very low22.6Very low163 Ų163134.3 Ų134.385%0.85377%0.773SS**  40.2140.2129.7-119.982.3000121
428P23.4Very low22.4Very low108 Ų108135.7 Ų135.770%0.70177%0.77SS**  -146.5156.393.837.9-22.2000116.7
429Q20.9Very low22.3Very low182 Ų182135.3 Ų135.385%0.8577%0.768SS**  trans47.6151141-75.2176-59.300121.2
430A23.1Very low22.7Very low73 Ų73136.8 Ų136.860%0.60377%0.772SS**  cis-179.7137.5-10.800000106.6
431T20.3Very low22.8Very low126 Ų126138.3 Ų138.377%0.77377%0.769SS**  trans62138.6143.6-18.60000123.6
432Q22.9Very low23Very low171 Ų171141.1 Ų141.180%0.79977%0.774SS**  trans78.1142.4158.3-62.1-175.2-28.800117.4
433E21.7Very low23.1Very low171 Ų171143.3 Ų143.380%0.79978%0.776SS**  cis-171.8162.6-25.9-122.3-168.4141.400103.4
434P30.6Very low23.4Very low114 Ų114145.8 Ų145.874%0.7478%0.776SS**  trans-90150.8-158.735.4-34.1000114.4
435K25.3Very low23.4Very low208 Ų208142.7 Ų142.790%0.90477%0.765SS**  trans-133.1109.6161.6-115.5179.4-179179.10111.7
436T21.4Very low23.5Very low123 Ų123146.2 Ų146.276%0.75577%0.771SS**  trans-16.5130.4151.5-6.40000118.8
437S21.2Very low23.9Very low97 Ų97145.4 Ų145.468%0.67877%0.77SS**  50.3152.2124.466.70000124.7
438E23Very low24.1Very low170 Ų170146 Ų14679%0.79477%0.768SS**  trans91.5102.9164.8-67.8-179.6150.400116
439I21.4Very low24.3Very low152 Ų152147.4 Ų147.478%0.77977%0.77SS**  61.510783.8-59.1169.7000112.5
440V30.2Very low24.8Very low142 Ų142146 Ų14686%0.86177%0.768SS**  trans-144.1111.6151.3178.10000107.9
441E22.2Very low24.9Very low172 Ų172149.4 Ų149.480%0.80478%0.776SS**  trans-88152.6153.1-75.4176.9136.800108.8
442E25.2Very low25.4Very low174 Ų174152.9 Ų152.981%0.81378%0.784SS**  trans153.2114.2152-91.2-178.4157.100108.2
443E22.4Very low25.6Very low157 Ų157152.8 Ų152.873%0.73479%0.789SS**  75.7116.175.5-78.1-154.713900116
444H31.4Very low26Very low185 Ų185148 Ų14886%0.85679%0.785SS**  trans-166.3104.7151.1-133.861.8000105.7
445L23Very low25.8Very low109 Ų109151.9 Ų151.957%0.57179%0.793SS**  45.1141.166.5-60178.2000111.9
446Q20.8Very low26Very low173 Ų173149.1 Ų149.181%0.80879%0.789SS**  cis176149.3-7.9-120.9174.8-31.800103.1
447A30.3Very low26.1Very low83 Ų83151.9 Ų151.969%0.68680%0.798SS**  trans175.1112151.500000108.3
448E26.3Very low26.3Very low177 Ų177152.7 Ų152.783%0.82780%0.801SS**  68.5141.590.3-69.9-175.1174.700112.1
449D26.6Very low26.5Very low137 Ų137149.8 Ų149.873%0.73381%0.806SS**  cis-173176.2-15.9-109.3-25.6000104.1
450D30.6Very low26.8Very low153 Ų153148.9 Ų148.982%0.81880%0.798SS**  trans97.8130.6157.5-70.8-24.5000122
451D27.2Very low26.7Very low144 Ų144150.2 Ų150.277%0.7780%0.799SS**  trans-72.3145.6-170.7-56.1-66.8000114.9
452Q30.7Very low27.1Very low198 Ų198149.1 Ų149.193%0.92580%0.797SS**  trans-154.5115.2148.2-119.2154.433.700112.1G454Q452-G454 PolarHBondContact O-N 3.33Å
453D27.2Very low27.1Very low170 Ų170147 Ų14791%0.90979%0.791SS**  trans-56.6121.9166.2-61.8-57.6000110.9
454G28.6Very low27.4Very low70 Ų70144.2 Ų144.272%0.72280%0.795SS**  trans-153.490.7173.700000109.3Q452 D456Q452-G454 PolarHBondContact O-N 3.33Å; G454-D456 PolarHBondContact O-N 2.77Å; G454-D456 VanDerWaalsContact O-N 3.13Å
455E26.3Very low27.2Very low195 Ų195138.3 Ų138.391%0.91178%0.784SS**  trans-59.4109.1161.2-72.5-156.6146.500108.9
456D29.7Very low27.5Very low151 Ų151139.4 Ų139.481%0.80780%0.795SS**  trans-156110.3151-99-34.4000107.6G454 P458G454-D456 PolarHBondContact O-N 2.77Å; G454-D456 VanDerWaalsContact O-N 3.13Å; D456-P458 WeakPolarHBondContact O-CD 3.47Å; D456-P458 WeakPolarHBondContact O-CG 3.5Å
457L23.4Very low27.8Very low180 Ų180135.9 Ų135.994%0.94279%0.79SS**  trans-59.5108.2173-79.7152.2000109.6A459L457-A459 PolarHBondContact O-N 3.46Å
458P25.6Very low27.6Very low115 Ų115137 Ų13775%0.74779%0.792SS**  trans-86.2122.8175.3-1.122.6000108D456 E460D456-P458 WeakPolarHBondContact O-CD 3.47Å; D456-P458 WeakPolarHBondContact O-CG 3.5Å; P458-E460 PolarHBondContact O-N 3.38Å
459A26.7Very low27.7Very low108 Ų108139.1 Ų139.189%0.89379%0.793SS**  trans-61.984.6166.300000110.3L457L457-A459 PolarHBondContact O-N 3.46Å
460E28.5Very low27.9Very low134 Ų134138.2 Ų138.263%0.62679%0.794SS**  trans-138.654.6164.4-147.4178172.100111P458 I462 N463P458-E460 PolarHBondContact O-N 3.38Å; E460-I462 PolarHBondContact O-N 3.06Å; E460-N463 PolarHBondContact OE1-ND2 3.42Å; E460-N463 VanDerWaalsContact OE1-ND2 3.1Å
461I28.9Very low27.8Very low170 Ų170139.3 Ų139.387%0.87280%0.797SS**  trans-76.15.2159-66.9174.1000110.7
462I29.7Very low28.3Very low149 Ų149137.8 Ų137.876%0.76479%0.794SS**THydrogen-bonded Turntrans-102.857.1173.6-46175.7000109.3E460E460-I462 PolarHBondContact O-N 3.06Å
463N25Very low28.6Very low128 Ų128134.3 Ų134.368%0.68479%0.789SS**THydrogen-bonded Turntrans-164.535.3159.5-97.7-31.1000113.5E460 G465E460-N463 PolarHBondContact OE1-ND2 3.42Å; E460-N463 VanDerWaalsContact OE1-ND2 3.1Å; N463-G465 PolarHBondContact O-N 2.85Å
464A29Very low29.1Very low99 Ų99131.5 Ų131.582%0.81877%0.773SS**  trans-75.468.1157.600000108.9V466A464-V466 PolarHBondContact O-N 2.73Å
465G26.9Very low30.4Very low61 Ų61130.7 Ų130.763%0.62976%0.757SS**  trans-50.9123.7168.100000108.6N463 S467N463-G465 PolarHBondContact O-N 2.85Å; G465-S467 VanDerWaalsContact C-N 3.29Å; G465-S467 PolarHBondContact O-N 3.46Å
466V29.3Very low32.2Very low132 Ų132126 Ų12680%0.875%0.745SS**  trans-51.694.1173.5177.70000107.9A464 S468A464-V466 PolarHBondContact O-N 2.73Å; V466-S468 VanDerWaalsContact C-N 3.31Å; V466-S468 PolarHBondContact O-N 3.23Å; V466-S468 PolarHBondContact O-OG 3.24Å
467S27.6Very low34Very low100 Ų100121.7 Ų121.770%0.69973%0.731SS**  trans-64.599.7168165.80000106.6G465 R469G465-S467 VanDerWaalsContact C-N 3.29Å; G465-S467 PolarHBondContact O-N 3.46Å; S467-R469 PolarHBondContact O-N 2.9Å
468S25.8Very low36.4Very low106 Ų106117.3 Ų117.374%0.74171%0.708SS**  trans-58.769.8168.4-43.40000110.1V466 P470V466-S468 VanDerWaalsContact C-N 3.31Å; V466-S468 PolarHBondContact O-N 3.23Å; V466-S468 PolarHBondContact O-OG 3.24Å; S468-P470 VanDerWaalsContact O-CD 3.26Å; S468-P470 WeakPolarHBondContact O-CD 3.04Å
469R28.7Very low38.4Very low221 Ų221116.1 Ų116.183%0.83470%0.696SS**PPolyproline II helixtrans-67.7117.8165-107.9-174.4-175.4-154.61.6106.5S467 M471S467-R469 PolarHBondContact O-N 2.9Å; R469-M471 PolarHBondContact O-N 3.41Å; R469-M471 VanDerWaalsContact O-N 3.15Å
470P29.7Very low40.7Very low118 Ų118117.7 Ų117.777%0.76668%0.684SS**PPolyproline II helixtrans-61121.2-179.9-16.729.6000108.3S468S468-P470 VanDerWaalsContact O-CD 3.26Å; S468-P470 WeakPolarHBondContact O-CD 3.04Å
471M29.6Very low43.3Very low177 Ų177114.3 Ų114.387%0.87267%0.668SS**PPolyproline II helixtrans-57.2130.1165-93.2-169.7-92.700107.6R469R469-M471 PolarHBondContact O-N 3.41Å; R469-M471 VanDerWaalsContact O-N 3.15Å
472P37.6Very low45.6Very low111 Ų111112.1 Ų112.172%0.72165%0.653SS**PPolyproline II helixtrans-56.9136.2177.8-19.529.5000109.6L474P472-L474 PolarHBondContact O-N 2.98Å
473P36.4Very low47.7Very low126 Ų126109.7 Ų109.782%0.81864%0.641SS**PPolyproline II helixtrans-60.3125.5178.224.6-31.9000109S475P473-S475 PolarHBondContact O-N 3.32Å; P473-S475 VanDerWaalsContact O-N 3.14Å
474L37.9Very low50.4Low110 Ų110109 Ų10958%0.57663%0.629SS**PPolyproline II helixtrans-50.6121169-80150.5000107.8P472P472-L474 PolarHBondContact O-N 2.98Å
475S56.1Low52.7Low53 Ų53111.5 Ų111.537%0.37162%0.617SS.*PPolyproline II helixtrans-60.5141.917780.80000108.6P473 A477 D478 L479P473-S475 PolarHBondContact O-N 3.32Å; P473-S475 VanDerWaalsContact O-N 3.14Å; S475-A477 PolarHBondContact O-N 3.26Å; S475-A477 VanDerWaalsContact O-N 3.08Å; S475-D478 PolarHBondContact O-N 3.47Å; S475-D478 VanDerWaalsContact OG-CG 3.3Å; S475-D478 PolarHBondContact OG-N 3.25Å; S475-D478 PolarHBondContact OG-OD2 3.17Å; S475-L479 PolarHBondContact O-N 3.27Å
476S63.5Low55Low96 Ų96113.7 Ų113.767%0.67161%0.613SS**Hα-helixtrans-54-31.1179.8530000112.1L479 E480S476-L479 PolarHBondContact O-N 3.07Å; S476-E480 PolarHBondContact O-N 2.79Å
477A69.2Low57.2Low61 Ų61111.3 Ų111.350%0.50460%0.6SS.*Hα-helixtrans-65.9-41.5174.900000113.1S475 L479 E481S475-A477 PolarHBondContact O-N 3.26Å; S475-A477 VanDerWaalsContact O-N 3.08Å; A477-L479 VanDerWaalsContact C-N 3.3Å; A477-L479 PolarHBondContact O-N 2.86Å; A477-E481 WeakPolarHBondContact O-CB 3.19Å; A477-E481 PolarHBondContact O-N 2.81Å
478D71.8Confident59.7Low88 Ų88111 Ų11147%0.47159%0.587SS.*Hα-helixtrans-68.2-32176.8-69.9-47.8000112.2S475 K482S475-D478 PolarHBondContact O-N 3.47Å; S475-D478 VanDerWaalsContact OG-CG 3.3Å; S475-D478 PolarHBondContact OG-N 3.25Å; S475-D478 PolarHBondContact OG-OD2 3.17Å; D478-K482 WeakPolarHBondContact O-CB 3.48Å; D478-K482 VanDerWaalsContact O-CG 3.27Å; D478-K482 WeakPolarHBondContact O-CG 3.3Å; D478-K482 PolarHBondContact O-N 3.46Å; D478-K482 VanDerWaalsContact O-N 3.15Å
479L68.5Low62.1Low91 Ų91109.7 Ų109.748%0.47658%0.575SS.*Hα-helixtrans-74.6-43.6177.5-170.665.5000111.5S475 S476 A477 K482 L483S475-L479 PolarHBondContact O-N 3.27Å; S476-L479 PolarHBondContact O-N 3.07Å; A477-L479 VanDerWaalsContact C-N 3.3Å; A477-L479 PolarHBondContact O-N 2.86Å; L479-K482 PolarHBondContact O-N 3.38Å; L479-L483 HydrophobicContact CG-CD1 4.3Å; L479-L483 WeakPolarHBondContact O-CG 3.31Å; L479-L483 PolarHBondContact O-N 3.38Å
480E74.7Confident63.5Low141 Ų141104.5 Ų104.566%0.65956%0.561SS**Hα-helixtrans-60.3-44.2173.6-85-175.3155.200111.7S476 K482 L483 R484S476-E480 PolarHBondContact O-N 2.79Å; E480-K482 VanDerWaalsContact C-N 3.35Å; E480-K482 PolarHBondContact O-N 3.27Å; E480-L483 PolarHBondContact O-N 3.32Å; E480-R484 WeakPolarHBondContact O-CB 3.28Å; E480-R484 PolarHBondContact O-N 3.47Å
481E83Confident65.6Low62 Ų62103 Ų10329%0.2954%0.544SS..Hα-helixtrans-66.2-36.7178.5179.157.9-163.400112A477 R484 R485A477-E481 WeakPolarHBondContact O-CB 3.19Å; A477-E481 PolarHBondContact O-N 2.81Å; E481-R484 PolarHBondContact O-N 2.8Å; E481-R484 IonicContact OE1-CZ 3.83Å; E481-R484 IonicContact OE1-NE 3.08Å; E481-R484 IonicContact OE1-NH2 2.77Å; E481-R484 PolarHBondContact OE1-NH2 2.65Å; E481-R484 IonicContact OE2-CZ 3.08Å; E481-R484 IonicContact OE2-NE 2.72Å; E481-R484 PolarHBondContact OE2-NE 3.49Å; E481-R484 IonicContact OE2-NH2 3.33Å; E481-R484 PolarHBondContact OE2-NH2 3.46Å; E481-R485 WeakPolarHBondContact O-CG 3.32Å; E481-R485 PolarHBondContact O-N 3.31Å; E481-R485 IonicContact OE1-CZ 3.5Å; E481-R485 IonicContact OE1-NE 3.4Å; E481-R485 PolarHBondContact OE1-NE 2.81Å; E481-R485 IonicContact OE1-NH2 2.61Å; E481-R485 PolarHBondContact OE1-NH2 3.48Å
482K77Confident67.5Low124 Ų12499.8 Ų99.854%0.53953%0.525SS..Hα-helixtrans-66.2-40.8174.2-79.4174.6-1791750112.3D478 L479 E480 L486D478-K482 WeakPolarHBondContact O-CB 3.48Å; D478-K482 VanDerWaalsContact O-CG 3.27Å; D478-K482 WeakPolarHBondContact O-CG 3.3Å; D478-K482 PolarHBondContact O-N 3.46Å; D478-K482 VanDerWaalsContact O-N 3.15Å; L479-K482 PolarHBondContact O-N 3.38Å; E480-K482 VanDerWaalsContact C-N 3.35Å; E480-K482 PolarHBondContact O-N 3.27Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 PolarHBondContact O-N 2.83Å
483L73.9Confident68.8Low98 Ų98100.4 Ų100.451%0.51352%0.521SS..Hα-helixtrans-67.5-39.5175.7-74.9167.6000111.7L479 E480 L486 T487L479-L483 HydrophobicContact CG-CD1 4.3Å; L479-L483 WeakPolarHBondContact O-CG 3.31Å; L479-L483 PolarHBondContact O-N 3.38Å; E480-L483 PolarHBondContact O-N 3.32Å; L483-L486 PolarHBondContact O-N 3.08Å; L483-T487 WeakPolarHBondContact O-CB 3.26Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.18Å
484R81.7Confident69.9Low114 Ų114102.1 Ų102.143%0.4352%0.518SS..Hα-helixtrans-59.9-48.3174.4-165.6-173.472.373.28111.2E480 E481 L486 T487 E488E480-R484 WeakPolarHBondContact O-CB 3.28Å; E480-R484 PolarHBondContact O-N 3.47Å; E481-R484 PolarHBondContact O-N 2.8Å; E481-R484 IonicContact OE1-CZ 3.83Å; E481-R484 IonicContact OE1-NE 3.08Å; E481-R484 IonicContact OE1-NH2 2.77Å; E481-R484 PolarHBondContact OE1-NH2 2.65Å; E481-R484 IonicContact OE2-CZ 3.08Å; E481-R484 IonicContact OE2-NE 2.72Å; E481-R484 PolarHBondContact OE2-NE 3.49Å; E481-R484 IonicContact OE2-NH2 3.33Å; E481-R484 PolarHBondContact OE2-NH2 3.46Å; R484-L486 PolarHBondContact O-N 3.46Å; R484-T487 PolarHBondContact O-N 2.04Å; R484-E488 IonicContact CZ-OE2 2.71Å; R484-E488 IonicContact NH1-OE1 3.39Å; R484-E488 PolarHBondContact NH1-OE1 2.89Å; R484-E488 IonicContact NH1-OE2 3.32Å; R484-E488 PolarHBondContact NH1-OE2 3.15Å; R484-E488 VanDerWaalsContact NH1-OE2 3.09Å; R484-E488 IonicContact NH2-OE2 2.86Å; R484-E488 PolarHBondContact O-N 3.39Å
485R77.6Confident70.9Confident151 Ų151103.8 Ų103.857%0.5752%0.517SS*.Hα-helixtrans-63.1-39.8177.2-74.1-179.3-172.8-162.71.4113.2E481 T487 T489E481-R485 WeakPolarHBondContact O-CG 3.32Å; E481-R485 PolarHBondContact O-N 3.31Å; E481-R485 IonicContact OE1-CZ 3.5Å; E481-R485 IonicContact OE1-NE 3.4Å; E481-R485 PolarHBondContact OE1-NE 2.81Å; E481-R485 IonicContact OE1-NH2 2.61Å; E481-R485 PolarHBondContact OE1-NH2 3.48Å; R485-T487 VanDerWaalsContact C-N 3.33Å; R485-T489 WeakPolarHBondContact O-CB 3.46Å; R485-T489 PolarHBondContact O-N 3.38Å; R485-T489 PolarHBondContact O-OG1 3.4Å
486L75.2Confident70.3Confident107 Ų107104 Ų10456%0.5653%0.528SS*.Hα-helixtrans-65.2-40.8177.8-16775000111.1K482 L483 R484 T489 M490K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 PolarHBondContact O-N 2.83Å; L483-L486 PolarHBondContact O-N 3.08Å; R484-L486 PolarHBondContact O-N 3.46Å; L486-T489 PolarHBondContact O-N 2.91Å; L486-M490 PolarHBondContact O-N 2.82Å
487T75.8Confident69.2Low83 Ų83105 Ų10551%0.50953%0.526SS..Hα-helixtrans-67.9-43.7178.2-500000111.4L483 R484 R485 T489 M490 E491L483-T487 WeakPolarHBondContact O-CB 3.26Å; L483-T487 PolarHBondContact O-N 3.22Å; L483-T487 PolarHBondContact O-OG1 3.18Å; R484-T487 PolarHBondContact O-N 2.04Å; R485-T487 VanDerWaalsContact C-N 3.33Å; T487-T489 VanDerWaalsContact C-N 3.29Å; T487-T489 PolarHBondContact O-N 3.29Å; T487-M490 PolarHBondContact O-N 2.63Å; T487-E491 PolarHBondContact O-N 3.34Å
488E79.5Confident67.7Low94 Ų94107.7 Ų107.744%0.43953%0.532SS..Hα-helixtrans-58.7-40.7172.3-93.9177.8164.500112.1R484 E491 K492R484-E488 IonicContact CZ-OE2 2.71Å; R484-E488 IonicContact NH1-OE1 3.39Å; R484-E488 PolarHBondContact NH1-OE1 2.89Å; R484-E488 IonicContact NH1-OE2 3.32Å; R484-E488 PolarHBondContact NH1-OE2 3.15Å; R484-E488 VanDerWaalsContact NH1-OE2 3.09Å; R484-E488 IonicContact NH2-OE2 2.86Å; R484-E488 PolarHBondContact O-N 3.39Å; E488-E491 PolarHBondContact O-N 3.11Å; E488-K492 WeakPolarHBondContact O-CB 3.48Å; E488-K492 WeakPolarHBondContact O-CG 3.48Å; E488-K492 PolarHBondContact O-N 3.29Å
489T76.8Confident66Low78 Ų78110.2 Ų110.248%0.47954%0.544SS..Hα-helixtrans-67.1-41.3177.9-52.90000110.9R485 L486 T487 K492 I493R485-T489 WeakPolarHBondContact O-CB 3.46Å; R485-T489 PolarHBondContact O-N 3.38Å; R485-T489 PolarHBondContact O-OG1 3.4Å; L486-T489 PolarHBondContact O-N 2.91Å; T487-T489 VanDerWaalsContact C-N 3.29Å; T487-T489 PolarHBondContact O-N 3.29Å; T489-K492 PolarHBondContact O-N 3.45Å; T489-I493 HydrophobicContact CG2-CD1 4.1Å; T489-I493 WeakPolarHBondContact O-CD1 3.09Å; T489-I493 VanDerWaalsContact O-CG1 3.24Å; T489-I493 WeakPolarHBondContact O-CG1 3.33Å; T489-I493 PolarHBondContact O-N 3.06Å
490M58.3Low64.3Low111 Ų111115.7 Ų115.755%0.54757%0.566SS.*Hα-helixtrans-64.7-41175.3-82.8-176.152.600112.6L486 T487 I493 Q494L486-M490 PolarHBondContact O-N 2.82Å; T487-M490 PolarHBondContact O-N 2.63Å; M490-I493 PolarHBondContact O-N 2.88Å; M490-Q494 PolarHBondContact O-N 2Å
491E74.2Confident62.4Low87 Ų87114.5 Ų114.541%0.40757%0.569SS.*Hα-helixtrans-67.2-37.6175.4-79.5-159.8150.800112.3T487 E488 Q494 R495T487-E491 PolarHBondContact O-N 3.34Å; E488-E491 PolarHBondContact O-N 3.11Å; E491-Q494 PolarHBondContact O-N 2.83Å; E491-R495 WeakPolarHBondContact O-CB 3.41Å; E491-R495 WeakPolarHBondContact O-CG 3.41Å; E491-R495 PolarHBondContact O-N 3.31Å; E491-R495 IonicContact OE1-NH1 3.89Å; E491-R495 IonicContact OE2-CZ 3.48Å; E491-R495 IonicContact OE2-NH1 3.58Å; E491-R495 PolarHBondContact OE2-NH1 3.31Å; E491-R495 VanDerWaalsContact OE2-NH1 3.08Å; E491-R495 IonicContact OE2-NH2 3.19Å; E491-R495 PolarHBondContact OE2-NH2 3.01Å
492K69.5Low59.9Low109 Ų109118.4 Ų118.447%0.47459%0.592SS.*Hα-helixtrans-60.9-44.6173.1-83.5-171.9171.5-163.70111.9E488 T489 Q494 R495 G496E488-K492 WeakPolarHBondContact O-CB 3.48Å; E488-K492 WeakPolarHBondContact O-CG 3.48Å; E488-K492 PolarHBondContact O-N 3.29Å; T489-K492 PolarHBondContact O-N 3.45Å; K492-Q494 VanDerWaalsContact C-N 3.31Å; K492-Q494 PolarHBondContact O-N 3.17Å; K492-R495 PolarHBondContact O-N 3.4Å; K492-G496 PolarHBondContact O-N 3.39Å; K492-G496 VanDerWaalsContact O-N 3.13Å
493I64.9Low57.8Low125 Ų125118.4 Ų118.464%0.64161%0.605SS**Hα-helixtrans-63.5-38.1176.6-65.6163.9000111T489 M490 G496T489-I493 HydrophobicContact CG2-CD1 4.1Å; T489-I493 WeakPolarHBondContact O-CD1 3.09Å; T489-I493 VanDerWaalsContact O-CG1 3.24Å; T489-I493 WeakPolarHBondContact O-CG1 3.33Å; T489-I493 PolarHBondContact O-N 3.06Å; M490-I493 PolarHBondContact O-N 2.88Å; I493-G496 PolarHBondContact O-N 3.46Å
494Q59.1Low55.5Low161 Ų161123.2 Ų123.275%0.75262%0.621SS**Hα-helixtrans-72.7-32.7177-85.3-178-18.500113.8M490 E491 K492 G496M490-Q494 PolarHBondContact O-N 2Å; E491-Q494 PolarHBondContact O-N 2.83Å; K492-Q494 VanDerWaalsContact C-N 3.31Å; K492-Q494 PolarHBondContact O-N 3.17Å; Q494-G496 VanDerWaalsContact C-N 3.26Å
495R58.3Low53.1Low145 Ų145122.6 Ų122.655%0.54764%0.641SS.*Hα-helixtrans-77.1-11.9175.5-74.6-170-81.2-105.92.1113.1E491 K492 D497E491-R495 WeakPolarHBondContact O-CB 3.41Å; E491-R495 WeakPolarHBondContact O-CG 3.41Å; E491-R495 PolarHBondContact O-N 3.31Å; E491-R495 IonicContact OE1-NH1 3.89Å; E491-R495 IonicContact OE2-CZ 3.48Å; E491-R495 IonicContact OE2-NH1 3.58Å; E491-R495 PolarHBondContact OE2-NH1 3.31Å; E491-R495 VanDerWaalsContact OE2-NH1 3.08Å; E491-R495 IonicContact OE2-NH2 3.19Å; E491-R495 PolarHBondContact OE2-NH2 3.01Å; K492-R495 PolarHBondContact O-N 3.4Å; R495-D497 PolarHBondContact O-N 2.9Å
496G44.8Very low50.6Low59 Ų59125.2 Ų125.261%0.60866%0.657SS**THydrogen-bonded Turntrans69.112.2176.700000113.8K492 I493 Q494 D498K492-G496 PolarHBondContact O-N 3.39Å; K492-G496 VanDerWaalsContact O-N 3.13Å; I493-G496 PolarHBondContact O-N 3.46Å; Q494-G496 VanDerWaalsContact C-N 3.26Å; G496-D498 PolarHBondContact O-N 3.49Å
497D40.5Very low48.4Very low116 Ų116125.3 Ų125.362%0.6267%0.666SS**  trans-90.276.2179.5-69.8-34.4000109.4R495R495-D497 PolarHBondContact O-N 2.9Å
498D36.5Very low46.2Very low118 Ų118130.8 Ų130.863%0.63169%0.686SS**  trans-160.463.4159.2-86.2-35000108.9G496G496-D498 PolarHBondContact O-N 3.49Å
499I36.7Very low43.7Very low141 Ų141133.4 Ų133.472%0.72371%0.708SS**  trans-136.990.5148.3-55.2-179.4000106.7T501I499-T501 HydrophobicContact CG2-CG2 3.77Å; I499-T501 WeakPolarHBondContact CG2-OG1 3.37Å; I499-T501 PolarHBondContact O-N 3.11Å
500E32.6Very low41.4Very low205 Ų205132.1 Ų132.196%0.95871%0.71SS**  trans-60.784.7155.8-76.6-177.4151.600108
501T34.4Very low39.9Very low117 Ų117131.6 Ų131.672%0.71872%0.724SS**  trans-97.1108.1162.718.30000108.1I499I499-T501 HydrophobicContact CG2-CG2 3.77Å; I499-T501 WeakPolarHBondContact CG2-OG1 3.37Å; I499-T501 PolarHBondContact O-N 3.11Å
502D30.5Very low37.4Very low143 Ų143137.7 Ų137.777%0.76574%0.744SS**  trans-22.6123.5168.7-150.2-20.7000114K504D502-K504 VanDerWaalsContact C-N 3.28Å; D502-K504 PolarHBondContact O-N 3.3Å
503P32.7Very low35.5Very low124 Ų124137 Ų13781%0.80575%0.75SS**SBendtrans-77.776.3-174.932.7-35.4000110.8
504K26.7Very low34.1Very low199 Ų199137.5 Ų137.587%0.86576%0.761SS**  trans-150.353168-123.1176.9-173.31770113.6D502D502-K504 VanDerWaalsContact C-N 3.28Å; D502-K504 PolarHBondContact O-N 3.3Å
505A31.3Very low32.6Very low102 Ų102139.5 Ų139.584%0.84376%0.762SS**  trans-14974.2157.400000110
506K25.2Very low31.1Very low206 Ų206138.1 Ų138.190%0.89676%0.764SS**  trans-67.2147.2162.4-91176.2173.7174.70109.4
507S29Very low30.3Very low108 Ų108145.3 Ų145.376%0.75578%0.779SS**  trans73.392.6163.273.10000118.2
508Q28.7Very low29.9Very low198 Ų198147.3 Ų147.393%0.92579%0.785SS**  -161.372115.5-111.2-177.4-17.400110.2G510Q508-G510 PolarHBondContact O-N 3.44Å
509T27.4Very low29.5Very low149 Ų149150.2 Ų150.291%0.91480%0.795SS**  trans-69.381.4153.439.50000108.1
510G27.6Very low29.1Very low51 Ų51148.5 Ų148.553%0.52680%0.795SS.*  trans-97.696.2162.900000108Q508 W512Q508-G510 PolarHBondContact O-N 3.44Å; G510-W512 PolarHBondContact O-N 3.12Å; G510-W512 VanDerWaalsContact O-N 3.12Å
511A26.9Very low29Very low101 Ų101142.6 Ų142.684%0.83579%0.789SS**  trans-56.5114.2169.900000108.8P513A511-P513 WeakPolarHBondContact O-CD 3.07Å
512W23.1Very low28.7Very low215 Ų215143.9 Ų143.981%0.81479%0.792SS**  trans-71.3119.1172.9-72.187.8000108.6G510 I516G510-W512 PolarHBondContact O-N 3.12Å; G510-W512 VanDerWaalsContact O-N 3.12Å; W512-I516 HydrophobicContact CE3-CD1 3.74Å; W512-I516 HydrophobicContact CZ3-CD1 4.02Å
513P28.3Very low28.8Very low95 Ų95145.3 Ų145.362%0.61779%0.786SS**  trans-69.6146.9178.427.4-31.3000110.5A511 R515A511-P513 WeakPolarHBondContact O-CD 3.07Å; P513-R515 VanDerWaalsContact C-N 3.28Å; P513-R515 PolarHBondContact O-N 3.09Å
514P35.7Very low28.7Very low134 Ų134142.9 Ų142.987%0.8777%0.771SS**SBendtrans-81.172.8-172.434-33.9000110.3
515R28.3Very low28.8Very low204 Ų204138.2 Ų138.277%0.7776%0.761SS**  trans-14416171.3-78.1-160.2176.3163.50.3115.4P513 F517P513-R515 VanDerWaalsContact C-N 3.28Å; P513-R515 PolarHBondContact O-N 3.09Å; R515-F517 PolarHBondContact O-N 3.25Å
516I26.7Very low29Very low116 Ų116143.1 Ų143.160%0.59576%0.757SS**THydrogen-bonded Turntrans-71.7-17.8173.1-71173.7000112.4W512W512-I516 HydrophobicContact CE3-CD1 3.74Å; W512-I516 HydrophobicContact CZ3-CD1 4.02Å
517F27.7Very low29.1Very low209 Ų209137.3 Ų137.392%0.91774%0.736SS**THydrogen-bonded Turntrans-92.30.7-175.6-76.6-74.9000116.3R515R515-F517 PolarHBondContact O-N 3.25Å
518E32.9Very low29.1Very low158 Ų158139.3 Ų139.374%0.73873%0.734SS**SBendtrans-110.2-5.3-175.6-81.7-172.5156.500116.5
519Q27.6Very low29.4Very low180 Ų180133.7 Ų133.784%0.84172%0.716SS**SBendtrans-142.881.2177.8-72.8-175.6-4.900112.9
520S28.4Very low29.7Very low104 Ų104133.3 Ų133.373%0.72771%0.709SS**  trans-17587.7140.935.20000109.8N522S520-N522 PolarHBondContact O-N 3.23Å
521G30.8Very low30.1Very low81 Ų81136.5 Ų136.584%0.83571%0.714SS**  trans-68.752.3166.700000113.4
522N28.3Very low30.4Very low144 Ų144140.2 Ų140.277%0.7771%0.714SS**  trans-115.774.1170.3-77.3-1.3000109.1S520 P524S520-N522 PolarHBondContact O-N 3.23Å; N522-P524 WeakPolarHBondContact O-CD 3.41Å
523R30.9Very low30.9Very low173 Ų173136.5 Ų136.565%0.65371%0.71SS**  trans-63.8122.4166.3-141-177.2-160.3-155.57.9107.6D527R523-D527 HydrophobicContact CG-CB 4.29Å; R523-D527 IonicContact CZ-OD2 3.87Å; R523-D527 IonicContact NE-OD2 3.09Å; R523-D527 PolarHBondContact NE-OD2 3.41Å; R523-D527 PolarHBondContact NH1-O 3.34Å; R523-D527 IonicContact NH1-OD2 3.7Å; R523-D527 IonicContact NH2-OD2 2.91Å; R523-D527 PolarHBondContact NH2-OD2 2.81Å
524P30.8Very low31.1Very low74 Ų74139.4 Ų139.448%0.48172%0.72SS.*  trans-60.4141.3177.8-23.734000110.7N522 W526 D527N522-P524 WeakPolarHBondContact O-CD 3.41Å; P524-W526 PolarHBondContact O-N 2.62Å; P524-D527 PolarHBondContact O-N 3.08Å; P524-D527 VanDerWaalsContact O-N 3.14Å
525P29.1Very low30.8Very low101 Ų101142.1 Ų142.166%0.65672%0.721SS**THydrogen-bonded Turntrans-60.10-171.1-26.734.7000118
526W35.1Very low31Very low204 Ų204140.4 Ų140.477%0.77373%0.727SS**THydrogen-bonded Turntrans-96.2-5.1177.8-1.895.8000113.4P524P524-W526 PolarHBondContact O-N 2.62Å
527D28.4Very low31.2Very low84 Ų84143.9 Ų143.945%0.44974%0.74SS.*  trans-100.427.5178-159.432.2000112.2R523 P524 S529R523-D527 HydrophobicContact CG-CB 4.29Å; R523-D527 IonicContact CZ-OD2 3.87Å; R523-D527 IonicContact NE-OD2 3.09Å; R523-D527 PolarHBondContact NE-OD2 3.41Å; R523-D527 PolarHBondContact NH1-O 3.34Å; R523-D527 IonicContact NH1-OD2 3.7Å; R523-D527 IonicContact NH2-OD2 2.91Å; R523-D527 PolarHBondContact NH2-OD2 2.81Å; P524-D527 PolarHBondContact O-N 3.08Å; P524-D527 VanDerWaalsContact O-N 3.14Å; D527-S529 PolarHBondContact O-N 2.6Å
528Q28.7Very low31.1Very low150 Ų150137.6 Ų137.670%0.70174%0.735SS**  trans-87.497161.9-70.7-177.2-9.300106.8D530Q528-D530 PolarHBondContact O-N 3.05Å
529S35.3Very low30.8Very low80 Ų80136 Ų13656%0.55974%0.741SS**  trans-64.8106.9161.2470000107.4D527 D531D527-S529 PolarHBondContact O-N 2.6Å; S529-D531 WeakPolarHBondContact CB-OD2 3.3Å; S529-D531 PolarHBondContact O-N 2.97Å
530D33.7Very low30.5Very low142 Ų142131.1 Ų131.176%0.75974%0.739SS**  trans-65.968.3167.2-65.6-37.1000109.6Q528Q528-D530 PolarHBondContact O-N 3.05Å
531D35.6Very low30.6Very low117 Ų117132.4 Ų132.463%0.62675%0.748SS**  trans-101.437.1176.3-79.8-40.4000111S529S529-D531 WeakPolarHBondContact CB-OD2 3.3Å; S529-D531 PolarHBondContact O-N 2.97Å
532E33.9Very low30.2Very low179 Ų179131.8 Ų131.884%0.83674%0.742SS**  trans-138.748.8177.7-67.9-72.4144.900111.6
533D33.3Very low30.1Very low137 Ų137134 Ų13473%0.73375%0.747SS**  trans-139.761.8170.5-81.4-42000110.4
534D32.6Very low30Very low157 Ų157132.9 Ų132.984%0.8476%0.76SS**SBendtrans-150.645.1162.5-89.6-38.6000109.7
535Q29.9Very low29.8Very low191 Ų191138.2 Ų138.289%0.89378%0.779SS**  trans-153.455.8166.7-137.3167.83700114.4
536L31Very low29.4Very low168 Ų168139.7 Ų139.788%0.8879%0.785SS**  trans-117.485.2160.1-91.1156000109.1G538L536-G538 PolarHBondContact O-N 2.86Å; L536-G538 VanDerWaalsContact O-N 3.14Å
537Q30.9Very low29Very low188 Ų188135.5 Ų135.588%0.87979%0.787SS**  trans-66.6102.8157.5-81.5-179.9-21.100107.8S539Q537-S539 PolarHBondContact O-N 3.13Å; Q537-S539 VanDerWaalsContact O-N 3.1Å
538G26.9Very low29Very low78 Ų78137 Ų13780%0.80480%0.801SS**  trans-64.3104.5166.600000110.3L536L536-G538 PolarHBondContact O-N 2.86Å; L536-G538 VanDerWaalsContact O-N 3.14Å
539S26Very low28.6Very low125 Ų125134.7 Ų134.787%0.87480%0.802SS**  trans-10991.7152.5-64.50000106.6Q537Q537-S539 PolarHBondContact O-N 3.13Å; Q537-S539 VanDerWaalsContact O-N 3.1Å
540G21.7Very low28.1Very low76 Ų76138 Ų13878%0.78481%0.81SS**  trans-168.490.3-178.100000111.7
541S30.5Very low27.6Very low131 Ų131140.7 Ų140.792%0.91681%0.81SS**  trans-149.386.1154.765.80000108
542G22.3Very low27.1Very low69 Ų69141.2 Ų141.271%0.71181%0.813SS**  trans-15880.9173.900000107.4
543E24.9Very low26.6Very low190 Ų190140.9 Ų140.989%0.88881%0.809SS**  trans-178.6106.5158.6-102.2161-153.500108.2
544T29Very low26.3Very low150 Ų150140.1 Ų140.192%0.9281%0.805SS**  trans-136.4124148.6-44.50000107.3
545E26.2Very low25.8Very low186 Ų186140.2 Ų140.287%0.86980%0.8SS**  trans-62.7141.2-172.7-69.6168.9127.800113.3
546V22.6Very low25.6Very low131 Ų131141 Ų14179%0.79480%0.8SS**  trans-24.7128148.4177.70000115
547S25.8Very low25.2Very low116 Ų116141.5 Ų141.581%0.81180%0.798SS**  -166.2153.2120.5-820000113
548P28.5Very low25Very low115 Ų115136 Ų13675%0.74779%0.792SS**  trans-115.6170.5-155.739.4-26.8000115.2
549S20.1Very low25Very low103 Ų103141.3 Ų141.372%0.7280%0.796SS**  trans78.5106.6145.2177.50000119.8
550M25.3Very low24.9Very low149 Ų149141.8 Ų141.873%0.73479%0.793SS**  162.2112.4119.6-92.3-165161.400108.3
551R22.5Very low25.2Very low198 Ų198147.7 Ų147.775%0.74780%0.803SS**  96.4123.485.7-131.2-168.7-143160.46.5111.8
552D25.3Very low24.8Very low129 Ų129151 Ų15169%0.6980%0.801SS**  trans78.4113.7150.3-62.5-30.6000122
553K24.1Very low25Very low172 Ų172152.7 Ų152.775%0.74881%0.808SS**  95.9114.2122.3-84.6-174162.5172.80121.4
554D26Very low24.9Very low121 Ų121149.8 Ų149.865%0.64780%0.804SS**  82.4111.6128-58.5-23.1000120.5
555H22.7Very low25.1Very low159 Ų159148.6 Ų148.674%0.73680%0.798SS**  trans52.6116.2135.6-83.9-62.3000120.4
556F25.2Very low25.1Very low206 Ų206145.7 Ų145.790%0.90480%0.799SS**  -167.113699.3-121.1-94.9000111.5
557E23.6Very low25.1Very low179 Ų179143.6 Ų143.684%0.83679%0.79SS**  trans-77.6152.8173.4-64.8172.9137.500111
558G26.5Very low25Very low72 Ų72144.8 Ų144.874%0.74279%0.787SS**  trans-175.373.217800000114.5
559E26.4Very low25.1Very low191 Ų191147.3 Ų147.389%0.89379%0.789SS**  trans47.4116143.8-65.4-176.6151.400123.1
560T22.7Very low25.1Very low134 Ų134150.8 Ų150.882%0.82279%0.794SS**  trans-39129.5147.934.90000116.4
561M28.4Very low25.1Very low201 Ų201154.3 Ų154.399%0.9980%0.799SS**  trans-118.7115.7147.4-80.8-165.517900110
562K22.7Very low25.1Very low200 Ų200149.8 Ų149.887%0.8779%0.794SS**  trans-114.9111172.9-160.9177.2-170.1178.10105.9
563A26.2Very low25Very low105 Ų105149.8 Ų149.887%0.86880%0.798SS**  trans-112.8120.2173.500000109.3
564T23.7Very low24.8Very low129 Ų129150.4 Ų150.479%0.79180%0.804SS**PPolyproline II helixtrans-89.4153.3-177.5-34.60000109.7
565P33Very low24.8Very low124 Ų124148 Ų14881%0.80581%0.808SS**PPolyproline II helixtrans-90.5149.8-166.334.2-31.5000114
566S25.5Very low24.9Very low126 Ų126150.3 Ų150.388%0.88181%0.81SS**PPolyproline II helixtrans-96.9127.4178.6-1670000111.8
567S22.7Very low24.8Very low87 Ų87149.8 Ų149.861%0.60880%0.803SS**PPolyproline II helixtrans-90.4169165.4-165.40000110.6
568D24.6Very low24.6Very low140 Ų140147.7 Ų147.775%0.74980%0.802SS**  trans84.5103.8154.6-53.4-25.5000119.6
569Q29Very low24.5Very low169 Ų169149.4 Ų149.479%0.7981%0.809SS**  trans-140.999.7135.5-75.9-162.1-0.800110.6
570Q21.4Very low24.4Very low175 Ų175148.5 Ų148.582%0.81881%0.81SS**  trans-102.9120.4166.9175.2166.2-18.600107.9
571W23.9Very low24.4Very low223 Ų223145.3 Ų145.385%0.84581%0.805SS**  trans-104.5110.8174.8-71.788.5000109.8
572T23.6Very low24.4Very low103 Ų103141.3 Ų141.363%0.63280%0.796SS**  trans-112.5143.4159.551.90000107.8
573T23.8Very low24.4Very low129 Ų129140.8 Ų140.879%0.79180%0.797SS**  165123.3113.9-48.70000110.2
574E20Very low24.3Very low185 Ų185147.1 Ų147.186%0.86480%0.799SS**  trans-18141.5153.7-124.684.6-173.100118.3
575G24.7Very low24.2Very low72 Ų72150.8 Ų150.874%0.74280%0.803SS**  trans-176.570.4169.700000118.3
576R24.4Very low23.8Very low206 Ų206150.4 Ų150.478%0.77780%0.801SS**  trans73.4113.4131.1-138.7174.3-151.3178.47122.1
577R23.2Very low23.6Very low196 Ų196148 Ų14874%0.7479%0.789SS**  trans68.8109.8133.2-72.3-178.8-164.4177.30.9122.2
578T20.5Very low23.7Very low135 Ų135151.9 Ų151.983%0.82880%0.803SS**  35.7122.3124.456.70000120.5
579A25.1Very low23.9Very low108 Ų108148.8 Ų148.889%0.89380%0.804SS**  -150.8146.6128.700000110.6
580D23.9Very low23.8Very low171 Ų171146.7 Ų146.791%0.91480%0.803SS**  trans-75.6172.1-167.8-150.1-16.9000113.1
581G21.6Very low23.8Very low68 Ų68144.5 Ų144.570%0.70180%0.802SS**  trans-53.1153.4-166.800000118.1
582S28.2Very low24Very low117 Ų117139.2 Ų139.282%0.81880%0.796SS**  trans-159.1118.9137.8-167.70000110.1
583Q23.1Very low23.9Very low188 Ų188143.2 Ų143.288%0.87981%0.805SS**  trans-55.1133.9163.9-68.8171.1-45.700110.3
584R25.3Very low24.1Very low239 Ų239143.6 Ų143.690%0.90281%0.807SS**  trans-152.3110.8143.9-103.8175.4-161-162.23.3110.2
585K20.2Very low24.5Very low205 Ų205141.6 Ų141.689%0.89180%0.802SS**  trans-66.5144152.4-93.8179.3171.1179.80109
586P24.8Very low24.5Very low116 Ų116141.5 Ų141.575%0.75380%0.801SS**  -128.4128.9113.123-6.2000109.4
587A22.9Very low24.8Very low77 Ų77138.3 Ų138.364%0.63681%0.805SS**  74.7117.574.800000113.3
588D24.8Very low25Very low167 Ų167135.8 Ų135.889%0.89381%0.806SS**  trans81.2108.8150.6-54.2-24.8000120.7
589G28.4Very low25.5Very low76 Ų76134.7 Ų134.778%0.78480%0.804SS**  trans-17262.3173.600000111.3
590T25.9Very low25.7Very low125 Ų125133.3 Ų133.377%0.76779%0.788SS**  trans7.1119.4153.3-17.60000120.2
591T21.8Very low25.9Very low128 Ų128135.1 Ų135.179%0.78578%0.784SS**  trans55.5156.8139.949.30000122.2
592P27.4Very low26.8Very low113 Ų113136.2 Ų136.273%0.73478%0.781SS**  cis-124.9164.15.935.8-18.1000115.7
593K21.6Very low27Very low187 Ų187133.6 Ų133.681%0.81377%0.766SS**  trans-66.7130.9166.4-66.4172.1174.8178.40110.1
594T29.1Very low27.8Very low137 Ų137128.5 Ų128.584%0.8475%0.747SS**  trans-124.4111.7150.531.60000106.4G596T594-G596 PolarHBondContact O-N 2.91Å
595D28Very low28Very low142 Ų142118.6 Ų118.676%0.75972%0.72SS**  trans-57.3128.7-178.3-66-53.1000110.8T597D595-T597 PolarHBondContact O-N 2.99Å
596G24.3Very low29Very low70 Ų70112 Ų11272%0.72269%0.693SS**  trans-69.1111.3171.600000109.7T594T594-G596 PolarHBondContact O-N 2.91Å
597T30.1Very low29.7Very low139 Ų139115 Ų11585%0.85369%0.69SS**  trans-87104150.745.10000107.4D595 S599D595-T597 PolarHBondContact O-N 2.99Å; T597-S599 PolarHBondContact O-N 3.05Å
598D28.2Very low30.6Very low144 Ų144115.2 Ų115.277%0.7768%0.683SS**  trans-46.9122.8176.1-70.8-51.2000112.3S600D598-S600 PolarHBondContact O-N 3.5Å
599S31.7Very low31.4Very low111 Ų111111.7 Ų111.778%0.77666%0.663SS**  trans-70.162.5169.4400000110.9T597 Y601T597-S599 PolarHBondContact O-N 3.05Å; S599-Y601 VanDerWaalsContact C-N 3.26Å; S599-Y601 PolarHBondContact O-N 3.44Å
600S28.8Very low32Very low80 Ų80110.5 Ų110.556%0.55965%0.646SS**THydrogen-bonded Turntrans-80.1-1.3176.661.40000114.1D598 T604D598-S600 PolarHBondContact O-N 3.5Å; S600-T604 PolarHBondContact O-OG1 3.07Å
601Y28.6Very low32.7Very low209 Ų209110.7 Ų110.782%0.8264%0.639SS**Hα-helixtrans-90.8-4.9-179.4-84.7-83.6000116S599S599-Y601 VanDerWaalsContact C-N 3.26Å; S599-Y601 PolarHBondContact O-N 3.44Å
602S39.5Very low33.6Very low91 Ų91109.6 Ų109.664%0.63663%0.628SS**Hα-helixtrans-88.4-31.5-179.885.50000113.9
603A33.1Very low34.4Very low62 Ų62108.1 Ų108.151%0.51261%0.614SS.*Hα-helixtrans-82.6-29.8-174.200000113.8R607A603-R607 PolarHBondContact O-N 3.23Å
604T38.8Very low35.5Very low80 Ų80101 Ų10149%0.49159%0.587SS.*Hα-helixtrans-74.7-38.9178.630.90000112.1S600 M606 R607 T608S600-T604 PolarHBondContact O-OG1 3.07Å; T604-M606 PolarHBondContact O-N 2.04Å; T604-R607 PolarHBondContact O-N 3.32Å; T604-T608 PolarHBondContact O-N 3.17Å; T604-T608 VanDerWaalsContact O-N 3.15Å; T604-T608 PolarHBondContact O-OG1 2.82Å; T604-T608 VanDerWaalsContact O-OG1 3.07Å
605G30.1Very low36Very low31 Ų3197.2 Ų97.232%0.3256%0.564SS.*Hα-helixtrans-64.7-33.6178.200000114.4T608 I609G605-T608 WeakPolarHBondContact CA-OG1 3.47Å; G605-T608 PolarHBondContact O-OG1 3.17Å; G605-I609 WeakPolarHBondContact O-CD1 3.45Å; G605-I609 VanDerWaalsContact O-CG1 3.26Å; G605-I609 WeakPolarHBondContact O-CG1 3.43Å; G605-I609 PolarHBondContact O-N 2.82Å; G605-I609 VanDerWaalsContact O-N 3.15Å
606M41.7Very low36.7Very low68 Ų6894.4 Ų94.434%0.33555%0.552SS.*Hα-helixtrans-79.1-33.7178.3-77.3-71.1-71.600112.8V330 L335 T604 T608 I609 A610V330-M606 HydrophobicContact CG2-CE 3.79Å; V330-M606 HydrophobicContact CG2-CG 3.97Å; V330-M606 HydrophobicContact CG2-SD 3.94Å; L335-M606 HydrophobicContact CD1-CE 3.74Å; T604-M606 PolarHBondContact O-N 2.04Å; M606-T608 VanDerWaalsContact C-N 3.33Å; M606-I609 PolarHBondContact O-N 2.86Å; M606-A610 WeakPolarHBondContact O-CB 3.47Å; M606-A610 PolarHBondContact O-N 3.02Å
607R39.4Very low37.5Very low179 Ų17994.1 Ų94.168%0.67554%0.542SS*.Hα-helixtrans-61.7-43.3171-76.7-176.9-176.6175.24110.7A603 T604 M611A603-R607 PolarHBondContact O-N 3.23Å; T604-R607 PolarHBondContact O-N 3.32Å; R607-M611 WeakPolarHBondContact O-CB 3.11Å; R607-M611 WeakPolarHBondContact O-CG 3.09Å; R607-M611 PolarHBondContact O-N 3.23Å
608T40.8Very low38.1Very low80 Ų8091.1 Ų91.149%0.49152%0.52SS..Hα-helixtrans-68.5-37.8178.842.90000112.8T604 G605 M606 L612T604-T608 PolarHBondContact O-N 3.17Å; T604-T608 VanDerWaalsContact O-N 3.15Å; T604-T608 PolarHBondContact O-OG1 2.82Å; T604-T608 VanDerWaalsContact O-OG1 3.07Å; G605-T608 WeakPolarHBondContact CA-OG1 3.47Å; G605-T608 PolarHBondContact O-OG1 3.17Å; M606-T608 VanDerWaalsContact C-N 3.33Å; T608-L612 VanDerWaalsContact O-CB 3.23Å; T608-L612 WeakPolarHBondContact O-CB 3.39Å; T608-L612 PolarHBondContact O-N 2.75Å
609I42Very low38.5Very low93 Ų9392.4 Ų92.448%0.47752%0.516SS..Hα-helixtrans-71.7-43.7178.4-65.8165.7000112.2G605 M606 M611 L612 L613G605-I609 WeakPolarHBondContact O-CD1 3.45Å; G605-I609 VanDerWaalsContact O-CG1 3.26Å; G605-I609 WeakPolarHBondContact O-CG1 3.43Å; G605-I609 PolarHBondContact O-N 2.82Å; G605-I609 VanDerWaalsContact O-N 3.15Å; M606-I609 PolarHBondContact O-N 2.86Å; I609-M611 VanDerWaalsContact C-N 3.35Å; I609-L612 PolarHBondContact O-N 3.18Å; I609-L613 HydrophobicContact CG2-CD1 4.36Å; I609-L613 PolarHBondContact O-N 2.9Å
610A40.7Very low38.5Very low51 Ų5196.4 Ų96.442%0.42151%0.514SS..Hα-helixtrans-64.9-41.4175.900000111.2M606 L613 C614M606-A610 WeakPolarHBondContact O-CB 3.47Å; M606-A610 PolarHBondContact O-N 3.02Å; A610-L613 PolarHBondContact O-N 3.49Å; A610-C614 WeakPolarHBondContact O-CB 3.43Å; A610-C614 PolarHBondContact O-N 3.13Å; A610-C614 PolarHBondContact O-SG 2.98Å
611M41.3Very low38.9Very low129 Ų12997.5 Ų97.564%0.63551%0.505SS*.Hα-helixtrans-62-41.7171.6-71.2-93.4-76.600111.1R607 I609 C614 T615R607-M611 WeakPolarHBondContact O-CB 3.11Å; R607-M611 WeakPolarHBondContact O-CG 3.09Å; R607-M611 PolarHBondContact O-N 3.23Å; I609-M611 VanDerWaalsContact C-N 3.35Å; M611-C614 PolarHBondContact O-N 3.23Å; M611-T615 WeakPolarHBondContact O-CB 3.43Å; M611-T615 VanDerWaalsContact O-CG2 3.25Å; M611-T615 WeakPolarHBondContact O-CG2 3.42Å; M611-T615 PolarHBondContact O-N 3.29Å; M611-T615 PolarHBondContact O-OG1 3.05Å
612L41Very low39Very low105 Ų10592 Ų9255%0.5549%0.49SS..Hα-helixtrans-61.1-48.1177.1-100.3152.2000111.9T608 I609 C614 T615 V616T608-L612 VanDerWaalsContact O-CB 3.23Å; T608-L612 WeakPolarHBondContact O-CB 3.39Å; T608-L612 PolarHBondContact O-N 2.75Å; I609-L612 PolarHBondContact O-N 3.18Å; L612-C614 PolarHBondContact O-N 3.36Å; L612-T615 VanDerWaalsContact CA-OG1 3.27Å; L612-T615 WeakPolarHBondContact CA-OG1 3.25Å; L612-T615 PolarHBondContact O-N 3.48Å; L612-T615 PolarHBondContact O-OG1 3.43Å; L612-V616 WeakPolarHBondContact O-CB 3.49Å; L612-V616 VanDerWaalsContact O-CG2 3.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.19Å; L612-V616 PolarHBondContact O-N 3.29Å
613L44.1Very low38.7Very low83 Ų8391.3 Ų91.344%0.43549%0.49SS..Hα-helixtrans-64.4-40.9177.9-69.6173.6000112.1L325 I609 A610 A617L325-L613 HydrophobicContact CD1-CD2 3.77Å; L325-L613 HydrophobicContact CD2-CD2 3.92Å; I609-L613 HydrophobicContact CG2-CD1 4.36Å; I609-L613 PolarHBondContact O-N 2.9Å; A610-L613 PolarHBondContact O-N 3.49Å; L613-A617 WeakPolarHBondContact O-CB 3.38Å; L613-A617 PolarHBondContact O-N 2.72Å
614C43.6Very low38.9Very low38 Ų3895.4 Ų95.426%0.25750%0.501SS..Hα-helixtrans-64.9-44.2173.3-72.70000111.5M346 A610 M611 L612 A617 I618M346-C614 VanDerWaalsContact CE-SG 3.58Å; A610-C614 WeakPolarHBondContact O-CB 3.43Å; A610-C614 PolarHBondContact O-N 3.13Å; A610-C614 PolarHBondContact O-SG 2.98Å; M611-C614 PolarHBondContact O-N 3.23Å; L612-C614 PolarHBondContact O-N 3.36Å; C614-A617 PolarHBondContact O-N 2.77Å; C614-I618 VanDerWaalsContact O-CB 3.3Å; C614-I618 WeakPolarHBondContact O-CB 2.99Å; C614-I618 WeakPolarHBondContact O-CD1 3.24Å; C614-I618 WeakPolarHBondContact O-CG1 3.21Å; C614-I618 PolarHBondContact O-N 2.8Å
615T39.7Very low38.6Very low56 Ų5699 Ų9934%0.34451%0.511SS..Hα-helixtrans-67.6-35.7177.854.30000112.3M611 L612 I618 Y619M611-T615 WeakPolarHBondContact O-CB 3.43Å; M611-T615 VanDerWaalsContact O-CG2 3.25Å; M611-T615 WeakPolarHBondContact O-CG2 3.42Å; M611-T615 PolarHBondContact O-N 3.29Å; M611-T615 PolarHBondContact O-OG1 3.05Å; L612-T615 VanDerWaalsContact CA-OG1 3.27Å; L612-T615 WeakPolarHBondContact CA-OG1 3.25Å; L612-T615 PolarHBondContact O-N 3.48Å; L612-T615 PolarHBondContact O-OG1 3.43Å; T615-I618 CarbonylContact O-C 3.58Å; T615-I618 PolarHBondContact O-N 3.05Å; T615-Y619 WeakPolarHBondContact O-CA 3.41Å; T615-Y619 WeakPolarHBondContact O-CB 3.43Å; T615-Y619 WeakPolarHBondContact O-CD2 3.33Å; T615-Y619 PolarHBondContact O-N 3.28Å
616V43.2Very low39Very low84 Ų84102.4 Ų102.451%0.50952%0.52SS..Hα-helixtrans-69.7-39.7175.9171.40000110.5L612 R620L612-V616 WeakPolarHBondContact O-CB 3.49Å; L612-V616 VanDerWaalsContact O-CG2 3.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.19Å; L612-V616 PolarHBondContact O-N 3.29Å; V616-R620 WeakPolarHBondContact O-CB 3.37Å; V616-R620 PolarHBondContact O-N 2.78Å
617A40Very low38.8Very low63 Ų63104.2 Ų104.252%0.52153%0.53SS..Hα-helixtrans-63.4-43.2172.800000111.4L613 C614 W621L613-A617 WeakPolarHBondContact O-CB 3.38Å; L613-A617 PolarHBondContact O-N 2.72Å; C614-A617 PolarHBondContact O-N 2.77Å; A617-W621 VanDerWaalsContact O-CB 3.28Å; A617-W621 WeakPolarHBondContact O-CB 3.36Å; A617-W621 PolarHBondContact O-N 3.21Å
618I44.4Very low38.8Very low76 Ų76100.1 Ų100.139%0.3952%0.522SS..Hα-helixtrans-69.9-40.1177.4-67.4162.9000111.3C614 T615 W621 L622C614-I618 VanDerWaalsContact O-CB 3.3Å; C614-I618 WeakPolarHBondContact O-CB 2.99Å; C614-I618 WeakPolarHBondContact O-CD1 3.24Å; C614-I618 WeakPolarHBondContact O-CG1 3.21Å; C614-I618 PolarHBondContact O-N 2.8Å; T615-I618 CarbonylContact O-C 3.58Å; T615-I618 PolarHBondContact O-N 3.05Å; I618-W621 CarbonylContact O-C 2.9Å; I618-W621 WeakPolarHBondContact O-CB 3.1Å; I618-W621 PolarHBondContact O-N 3.29Å; I618-L622 HydrophobicContact CG2-CD1 3.69Å; I618-L622 HydrophobicContact CG2-CG 4.11Å; I618-L622 VanDerWaalsContact O-CB 3.28Å; I618-L622 WeakPolarHBondContact O-CB 2.97Å; I618-L622 WeakPolarHBondContact O-CG 3.36Å; I618-L622 PolarHBondContact O-N 3.01Å
619Y35.2Very low38.7Very low172 Ų172101.2 Ų101.268%0.67552%0.524SS*.Hα-helixtrans-68.4-38.2176.6-102.5-84.1000111T615 W621 L622 A623T615-Y619 WeakPolarHBondContact O-CA 3.41Å; T615-Y619 WeakPolarHBondContact O-CB 3.43Å; T615-Y619 WeakPolarHBondContact O-CD2 3.33Å; T615-Y619 PolarHBondContact O-N 3.28Å; Y619-W621 VanDerWaalsContact C-N 3.29Å; Y619-L622 PolarHBondContact O-N 2.73Å; Y619-A623 WeakPolarHBondContact O-CB 3.06Å; Y619-A623 PolarHBondContact O-N 3.5Å
620R32Very low38.5Very low194 Ų194101.8 Ų101.873%0.73253%0.527SS*.Hα-helixtrans-64.4-37.1170.1-106.2-175.4166.8-179-3.7111.7V616 I624V616-R620 WeakPolarHBondContact O-CB 3.37Å; V616-R620 PolarHBondContact O-N 2.78Å; R620-I624 VanDerWaalsContact O-CD1 3.29Å; R620-I624 WeakPolarHBondContact O-CD1 3.23Å; R620-I624 WeakPolarHBondContact O-CG1 3.42Å; R620-I624 PolarHBondContact O-N 3.44Å
621W38.4Very low38.3Very low103 Ų103105.1 Ų105.139%0.3953%0.534SS..Hα-helixtrans-69.1-41176.5-163.277.1000111.9A617 I618 Y619 F625A617-W621 VanDerWaalsContact O-CB 3.28Å; A617-W621 WeakPolarHBondContact O-CB 3.36Å; A617-W621 PolarHBondContact O-N 3.21Å; I618-W621 CarbonylContact O-C 2.9Å; I618-W621 WeakPolarHBondContact O-CB 3.1Å; I618-W621 PolarHBondContact O-N 3.29Å; Y619-W621 VanDerWaalsContact C-N 3.29Å; W621-F625 HydrophobicContact CH2-CE2 4.2Å; W621-F625 HydrophobicContact CZ2-CE2 4.29Å; W621-F625 HydrophobicContact CZ3-CE2 4.38Å; W621-F625 PolarHBondContact O-N 3.39Å
622L30.8Very low38.1Very low93 Ų93103.4 Ų103.449%0.48753%0.526SS..Hα-helixtrans-76.2-24.1177-76.4173.1000113.8I618 Y619 F625I618-L622 HydrophobicContact CG2-CD1 3.69Å; I618-L622 HydrophobicContact CG2-CG 4.11Å; I618-L622 VanDerWaalsContact O-CB 3.28Å; I618-L622 WeakPolarHBondContact O-CB 2.97Å; I618-L622 WeakPolarHBondContact O-CG 3.36Å; I618-L622 PolarHBondContact O-N 3.01Å; Y619-L622 PolarHBondContact O-N 2.73Å; L622-F625 CarbonylContact O-C 3.58Å; L622-F625 WeakPolarHBondContact O-CB 3.5Å
623A31.3Very low37.9Very low77 Ų77103.3 Ų103.364%0.63652%0.524SS*.THydrogen-bonded Turntrans-88-9.2175.600000112.9Y619 F625Y619-A623 WeakPolarHBondContact O-CB 3.06Å; Y619-A623 PolarHBondContact O-N 3.5Å; A623-F625 VanDerWaalsContact C-OXT 3.26Å
624I38.4Very low37.4Very low148 Ų148105 Ų10576%0.75953%0.532SS*.THydrogen-bonded Turntrans-83.2-24.6165-70.4165.2000110.1R620R620-I624 VanDerWaalsContact O-CD1 3.29Å; R620-I624 WeakPolarHBondContact O-CD1 3.23Å; R620-I624 WeakPolarHBondContact O-CG1 3.42Å; R620-I624 PolarHBondContact O-N 3.44Å
625F31.8Very low36.8Very low156 Ų156111.1 Ų111.168%0.68456%0.557SS**  trans-77.30157.4-84.8-88.5000110.2W157 W621 L622 A623W157-F625 AromaticContact CH2-CE1 3.56Å; W157-F625 HydrophobicContact CH2-CE1 3.56Å; W157-F625 AromaticContact CH2-CZ 3.48Å; W157-F625 HydrophobicContact CH2-CZ 3.48Å; W157-F625 VanDerWaalsContact CH2-CZ 3.48Å; W157-F625 AromaticContact CZ2-CE1 3.83Å; W157-F625 HydrophobicContact CZ2-CE1 3.83Å; W157-F625 AromaticContact CZ2-CZ 3.38Å; W157-F625 HydrophobicContact CZ2-CZ 3.38Å; W157-F625 HydrophobicContact CZ3-CE1 4.44Å; W157-F625 HydrophobicContact CZ3-CZ 4.25Å; W621-F625 HydrophobicContact CH2-CE2 4.2Å; W621-F625 HydrophobicContact CZ2-CE2 4.29Å; W621-F625 HydrophobicContact CZ3-CE2 4.38Å; W621-F625 PolarHBondContact O-N 3.39Å; L622-F625 CarbonylContact O-C 3.58Å; L622-F625 WeakPolarHBondContact O-CB 3.5Å; A623-F625 VanDerWaalsContact C-OXT 3.26Å

Retrieved 625 of 625 residues in 535.6 ms (Link to these results)

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