A0A077ZIQ1_TRITR Loading...

Neur chan memb domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZIQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 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
1M73.6Confident86.6Confident153 Ų15365.4 Ų65.475%0.75433%0.325SS*.  0-45.50-65.7-48.1-156.300113.9I3 Y4 I5M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.07Å; M1-Y4 PolarHBondContact O-N 2.89Å; M1-I5 PolarHBondContact O-N 3.18Å
2Q81.2Confident86.8Confident181 Ų18166.4 Ų66.485%0.84633%0.331SS*.THydrogen-bonded Turntrans-55-27.8-176.3-67.9177.1-7.500115.3P6Q2-P6 WeakPolarHBondContact O-CD 3.14Å; Q2-P6 WeakPolarHBondContact O-CG 3.46Å
3I85.5Confident87.1Confident43 Ų4367.4 Ų67.422%0.22134%0.337CS..THydrogen-bonded Turntrans-91.5-39.2178-63.4153.6000112M1 P6 S7 T46 I59 L63M1-I3 PolarHBondContact O-N 2.88Å; M1-I3 VanDerWaalsContact O-N 3.07Å; I3-P6 WeakPolarHBondContact O-CD 3.29Å; I3-P6 WeakPolarHBondContact O-CG 3.46Å; I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 3.01Å; I3-S7 PolarHBondContact O-OG 3.41Å; I3-S7 VanDerWaalsContact O-OG 3.13Å; I3-T46 HydrophobicContact CD1-CG2 3.63Å; I3-T46 HydrophobicContact CG2-CG2 4.49Å; I3-I59 HydrophobicContact CG2-CD1 4.05Å; I3-L63 HydrophobicContact CG2-CD1 4.19Å; I3-L63 HydrophobicContact CG2-CD2 3.98Å; I3-L63 HydrophobicContact CG2-CG 4.48Å
4Y86.1Confident87.1Confident47 Ų4762.6 Ų62.618%0.18431%0.313CS..Hα-helixtrans-64.3-47.8-177.7-68.7-74.1000111.9M1 S7 M8 I59 Y62 Y249M1-Y4 PolarHBondContact O-N 2.89Å; Y4-S7 WeakPolarHBondContact CA-OG 3.38Å; Y4-S7 PolarHBondContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.17Å; Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.03Å; Y4-I59 HydrophobicContact CD1-CD1 4.27Å; Y4-I59 HydrophobicContact CE1-CD1 3.61Å; Y4-I59 HydrophobicContact CE2-CD1 4.01Å; Y4-I59 VanDerWaalsContact CZ-CD1 3.47Å; Y4-Y62 AromaticContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD2 4.46Å; Y4-Y62 AromaticContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE1 3.46Å; Y4-Y62 VanDerWaalsContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE2 4.28Å; Y4-Y62 HydrophobicContact CD1-CG 4.21Å; Y4-Y62 AromaticContact CD1-CZ 3.79Å; Y4-Y62 AromaticContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD2 4.3Å; Y4-Y62 AromaticContact CE1-CE1 3.89Å; Y4-Y62 HydrophobicContact CE1-CE1 3.89Å; Y4-Y62 AromaticContact CE1-CG 3.84Å; Y4-Y62 HydrophobicContact CE1-CG 3.84Å; Y4-Y249 AromaticContact CE1-CE1 3.8Å; Y4-Y249 HydrophobicContact CE1-CE1 3.8Å; Y4-Y249 PolarHBondContact OH-OH 2.92Å
5I86.7Confident87.1Confident101 Ų10159.9 Ų59.952%0.51830%0.298SS..Hα-helixtrans-57.7-55.5-178.1-63171.7000112.7M1 S7 M8 L9M1-I5 PolarHBondContact O-N 3.18Å; I5-S7 VanDerWaalsContact C-N 3.28Å; I5-S7 PolarHBondContact O-N 3.47Å; I5-M8 PolarHBondContact O-N 2.73Å; I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 3.12Å; I5-L9 VanDerWaalsContact O-N 3.08Å
6P89.8Confident87Confident38 Ų3860.6 Ų60.625%0.24731%0.306CS..Hα-helixtrans-64.6-34.5179.625-34.1000112Q2 I3 M8 L9 I10 L42Q2-P6 WeakPolarHBondContact O-CD 3.14Å; Q2-P6 WeakPolarHBondContact O-CG 3.46Å; I3-P6 WeakPolarHBondContact O-CD 3.29Å; I3-P6 WeakPolarHBondContact O-CG 3.46Å; P6-M8 PolarHBondContact O-N 3.38Å; P6-L9 PolarHBondContact O-N 3.46Å; P6-I10 WeakPolarHBondContact O-CB 3.48Å; P6-I10 WeakPolarHBondContact O-CD1 3.3Å; P6-I10 VanDerWaalsContact O-CG1 3.22Å; P6-I10 WeakPolarHBondContact O-CG1 3.47Å; P6-I10 PolarHBondContact O-N 3.16Å; P6-L42 HydrophobicContact CB-CD1 4.35Å
7S89.4Confident86.7Confident0 Ų057.2 Ų57.20%029%0.289CS..Hα-helixtrans-62.7-43.3176.870.80000113I3 Y4 I5 I10 V11 Y62I3-S7 WeakPolarHBondContact O-CB 3.4Å; I3-S7 PolarHBondContact O-N 3.01Å; I3-S7 PolarHBondContact O-OG 3.41Å; I3-S7 VanDerWaalsContact O-OG 3.13Å; Y4-S7 WeakPolarHBondContact CA-OG 3.38Å; Y4-S7 PolarHBondContact O-N 3.16Å; Y4-S7 PolarHBondContact O-OG 3.17Å; I5-S7 VanDerWaalsContact C-N 3.28Å; I5-S7 PolarHBondContact O-N 3.47Å; S7-I10 PolarHBondContact O-N 2.99Å; S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 2.6Å; S7-V11 VanDerWaalsContact O-N 3.08Å; S7-Y62 WeakPolarHBondContact OG-CE1 3.3Å; S7-Y62 PolarHBondContact OG-OH 3.17Å
8M88.3Confident86.5Confident38 Ų3854.2 Ų54.219%0.18727%0.274CS..Hα-helixtrans-62.7-46176-64.8-81.4-174.100111Y4 I5 P6 I10 V11 I12 Y62 F242 N246Y4-M8 WeakPolarHBondContact O-CG 3.49Å; Y4-M8 PolarHBondContact O-N 3.03Å; I5-M8 PolarHBondContact O-N 2.73Å; P6-M8 PolarHBondContact O-N 3.38Å; M8-I10 VanDerWaalsContact C-N 3.32Å; M8-I10 PolarHBondContact O-N 2.82Å; M8-V11 PolarHBondContact O-N 2.82Å; M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.89Å; M8-Y62 HydrophobicContact CE-CE2 3.73Å; M8-Y62 WeakPolarHBondContact CE-OH 2.88Å; M8-Y62 WeakPolarHBondContact CG-OH 3.47Å; M8-Y62 PolarHBondContact SD-OH 3.39Å; M8-Y62 VanDerWaalsContact SD-OH 3.33Å; M8-F242 HydrophobicContact CB-CZ 4.42Å; M8-F242 HydrophobicContact CG-CZ 4.39Å; M8-F242 HydrophobicContact SD-CE1 3.75Å; M8-F242 HydrophobicContact SD-CE2 4.07Å; M8-F242 HydrophobicContact SD-CZ 3.18Å; M8-F242 WeakPolarHBondContact SD-CZ 3.49Å; M8-N246 WeakPolarHBondContact CE-OD1 3.5Å
9L90.2Very high86.2Confident96 Ų9661.2 Ų61.250%0.50330%0.297SS..Hα-helixtrans-60.2-42.2178.6-70.2175.6000111.8I5 P6 I12 I13I5-L9 HydrophobicContact CG2-CD1 4.14Å; I5-L9 WeakPolarHBondContact O-CG 3.32Å; I5-L9 PolarHBondContact O-N 3.12Å; I5-L9 VanDerWaalsContact O-N 3.08Å; P6-L9 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 2.8Å; L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 3.09Å
10I92.1Very high86Confident22 Ų2260.3 Ų60.311%0.11329%0.293CS..Hα-helixtrans-65.9-39.2178.7-71.7163000111.6P6 S7 M8 I13 S14 T35 M39 L42P6-I10 WeakPolarHBondContact O-CB 3.48Å; P6-I10 WeakPolarHBondContact O-CD1 3.3Å; P6-I10 VanDerWaalsContact O-CG1 3.22Å; P6-I10 WeakPolarHBondContact O-CG1 3.47Å; P6-I10 PolarHBondContact O-N 3.16Å; S7-I10 PolarHBondContact O-N 2.99Å; M8-I10 VanDerWaalsContact C-N 3.32Å; M8-I10 PolarHBondContact O-N 2.82Å; I10-I13 PolarHBondContact O-N 3.12Å; I10-S14 PolarHBondContact O-N 3.1Å; I10-T35 HydrophobicContact CG2-CG2 3.94Å; I10-M39 HydrophobicContact CB-CE 3.61Å; I10-M39 HydrophobicContact CB-SD 4.32Å; I10-M39 HydrophobicContact CD1-CE 3.27Å; I10-M39 HydrophobicContact CG1-CE 4Å; I10-M39 HydrophobicContact CG2-CE 3.59Å; I10-M39 HydrophobicContact CG2-CG 3.65Å; I10-M39 HydrophobicContact CG2-SD 3.95Å; I10-L42 HydrophobicContact CD1-CD1 3.38Å
11V89.9Confident85.6Confident0 Ų063.4 Ų63.40%031%0.307CS..Hα-helixtrans-63.4-44173.5177.30000110.6S7 M8 S14 W15 C66 M69 V70 F242S7-V11 WeakPolarHBondContact O-CG2 3.39Å; S7-V11 PolarHBondContact O-N 2.6Å; S7-V11 VanDerWaalsContact O-N 3.08Å; M8-V11 PolarHBondContact O-N 2.82Å; V11-S14 WeakPolarHBondContact O-CB 3.17Å; V11-S14 PolarHBondContact O-N 2.93Å; V11-S14 PolarHBondContact O-OG 2.9Å; V11-W15 HydrophobicContact CG1-CZ2 3.75Å; V11-W15 PolarHBondContact O-N 2.87Å; V11-C66 HydrophobicContact CG2-CB 3.74Å; V11-M69 HydrophobicContact CG1-CB 4.49Å; V11-V70 HydrophobicContact CB-CG2 4.49Å; V11-V70 HydrophobicContact CG2-CG2 3.93Å; V11-F242 HydrophobicContact CB-CD2 4.37Å; V11-F242 HydrophobicContact CB-CE2 3.78Å; V11-F242 HydrophobicContact CB-CZ 4.12Å; V11-F242 HydrophobicContact CG1-CD2 3.61Å; V11-F242 HydrophobicContact CG1-CE2 3.53Å; V11-F242 HydrophobicContact CG1-CG 4.24Å; V11-F242 HydrophobicContact CG1-CZ 4.09Å; V11-F242 HydrophobicContact CG2-CE2 3.92Å
12I89.1Confident85.6Confident78 Ų7859.8 Ų59.840%0.429%0.285SS..Hα-helixtrans-63.8-43.9177.3-66.1164.9000111.3M8 L9 S14 W15 V16M8-I12 VanDerWaalsContact O-CG1 3.29Å; M8-I12 WeakPolarHBondContact O-CG1 3.24Å; M8-I12 PolarHBondContact O-N 2.89Å; L9-I12 PolarHBondContact O-N 2.8Å; I12-S14 PolarHBondContact O-N 2.8Å; I12-W15 HydrophobicContact CG1-CZ3 4.36Å; I12-W15 WeakPolarHBondContact O-CB 3.34Å; I12-W15 PolarHBondContact O-N 2.95Å; I12-V16 PolarHBondContact O-N 2.81Å
13I89.7Confident85.3Confident79 Ų7957.3 Ų57.341%0.40528%0.277SS..Hα-helixtrans-59.5-38175.8-70.2162.8000110.4L9 I10 W15 V16 T35L9-I13 WeakPolarHBondContact O-CB 3.32Å; L9-I13 WeakPolarHBondContact O-CD1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 3.09Å; I10-I13 PolarHBondContact O-N 3.12Å; I13-W15 PolarHBondContact O-N 3.28Å; I13-V16 VanDerWaalsContact O-CB 3.27Å; I13-V16 WeakPolarHBondContact O-CB 3.25Å; I13-V16 PolarHBondContact O-N 2.64Å; I13-V16 VanDerWaalsContact O-N 3.07Å; I13-T35 HydrophobicContact CB-CG2 4.38Å; I13-T35 HydrophobicContact CG2-CG2 3.96Å
14S87.5Confident85.1Confident0 Ų057.2 Ų57.20%028%0.283CS..Hα-helixtrans-60.3-31.117781.80000112.5I10 V11 I12 V16 S17I10-S14 PolarHBondContact O-N 3.1Å; V11-S14 WeakPolarHBondContact O-CB 3.17Å; V11-S14 PolarHBondContact O-N 2.93Å; V11-S14 PolarHBondContact O-OG 2.9Å; I12-S14 PolarHBondContact O-N 2.8Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.47Å; S14-S17 VanDerWaalsContact O-CB 3.27Å; S14-S17 WeakPolarHBondContact O-CB 3.28Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.38Å
15W87.1Confident84.9Confident23 Ų2355.4 Ų55.49%0.08728%0.277CS..Hα-helixtrans-75.5-21.1177.7-57.1-13.5000113.8V11 I12 I13 S17 F18 P239 F242 F243V11-W15 HydrophobicContact CG1-CZ2 3.75Å; V11-W15 PolarHBondContact O-N 2.87Å; I12-W15 HydrophobicContact CG1-CZ3 4.36Å; I12-W15 WeakPolarHBondContact O-CB 3.34Å; I12-W15 PolarHBondContact O-N 2.95Å; I13-W15 PolarHBondContact O-N 3.28Å; W15-S17 PolarHBondContact O-N 3.24Å; W15-S17 VanDerWaalsContact O-N 3.14Å; W15-F18 HydrophobicContact CB-CD2 3.94Å; W15-F18 HydrophobicContact CB-CE2 4.18Å; W15-F18 AromaticContact CD1-CE2 3.77Å; W15-F18 HydrophobicContact CG-CD2 4.37Å; W15-F18 HydrophobicContact CG-CE2 4.16Å; W15-F18 WeakPolarHBondContact O-CB 3.48Å; W15-F18 WeakPolarHBondContact O-CD2 3.04Å; W15-F18 PolarHBondContact O-N 3.27Å; W15-P239 HydrophobicContact CD2-CG 3.96Å; W15-P239 HydrophobicContact CE3-CB 4Å; W15-P239 HydrophobicContact CE3-CG 3.71Å; W15-P239 HydrophobicContact CH2-CB 3.76Å; W15-P239 HydrophobicContact CH2-CG 4.24Å; W15-P239 HydrophobicContact CZ2-CB 4.28Å; W15-P239 HydrophobicContact CZ2-CG 4.44Å; W15-P239 HydrophobicContact CZ3-CB 3.57Å; W15-P239 HydrophobicContact CZ3-CG 3.85Å; W15-F242 HydrophobicContact CH2-CB 3.73Å; W15-F242 AromaticContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CE1 4.24Å; W15-F242 AromaticContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CZ2-CB 3.45Å; W15-F242 VanDerWaalsContact CZ2-CB 3.45Å; W15-F242 AromaticContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD2 4.35Å; W15-F242 AromaticContact CZ2-CG 3.68Å; W15-F242 HydrophobicContact CZ2-CG 3.68Å; W15-F243 HydrophobicContact CH2-CE2 4.35Å; W15-F243 HydrophobicContact CZ3-CE2 4.3Å
16V86Confident84.7Confident70 Ų7053.2 Ų53.242%0.42427%0.27SS..Hα-helixtrans-56.8-29.2172.2179.90000110.2I12 I13 S14 F18 W19 I20I12-V16 PolarHBondContact O-N 2.81Å; I13-V16 VanDerWaalsContact O-CB 3.27Å; I13-V16 WeakPolarHBondContact O-CB 3.25Å; I13-V16 PolarHBondContact O-N 2.64Å; I13-V16 VanDerWaalsContact O-N 3.07Å; S14-V16 VanDerWaalsContact C-N 3.34Å; S14-V16 PolarHBondContact O-N 3.47Å; V16-F18 PolarHBondContact O-N 2.89Å; V16-F18 VanDerWaalsContact O-N 3.17Å; V16-W19 PolarHBondContact O-N 2.95Å; V16-I20 HydrophobicContact CG1-CD1 4.47Å; V16-I20 PolarHBondContact O-N 3.48Å
17S81.3Confident84.5Confident4 Ų453.6 Ų53.63%0.02828%0.275CS..THydrogen-bonded Turntrans-57.8-27.7173.776.90000113.5S14 W15 W19 R28S14-S17 VanDerWaalsContact O-CB 3.27Å; S14-S17 WeakPolarHBondContact O-CB 3.28Å; S14-S17 PolarHBondContact O-N 3.32Å; S14-S17 PolarHBondContact O-OG 3.38Å; W15-S17 PolarHBondContact O-N 3.24Å; W15-S17 VanDerWaalsContact O-N 3.14Å; S17-W19 VanDerWaalsContact C-N 3.34Å; S17-R28 WeakPolarHBondContact O-CD 3.39Å; S17-R28 PolarHBondContact O-NE 3.49Å; S17-R28 PolarHBondContact O-NH2 3.39Å
18F82.6Confident84.3Confident3 Ų353.8 Ų53.81%0.01328%0.276CS..THydrogen-bonded Turntrans-76.3-19.7177.3-56.3-47.3000114.1W15 V16 S73 E76 R235 F238W15-F18 HydrophobicContact CB-CD2 3.94Å; W15-F18 HydrophobicContact CB-CE2 4.18Å; W15-F18 AromaticContact CD1-CE2 3.77Å; W15-F18 HydrophobicContact CG-CD2 4.37Å; W15-F18 HydrophobicContact CG-CE2 4.16Å; W15-F18 WeakPolarHBondContact O-CB 3.48Å; W15-F18 WeakPolarHBondContact O-CD2 3.04Å; W15-F18 PolarHBondContact O-N 3.27Å; V16-F18 PolarHBondContact O-N 2.89Å; V16-F18 VanDerWaalsContact O-N 3.17Å; F18-S73 VanDerWaalsContact CZ-CB 3.47Å; F18-E76 HydrophobicContact CE1-CB 4.12Å; F18-E76 HydrophobicContact CE1-CG 3.96Å; F18-E76 WeakPolarHBondContact CE1-OE2 3.2Å; F18-R235 HydrophobicContact CB-CG 4.28Å; F18-R235 PolarHBondContact O-NH2 3.07Å; F18-R235 VanDerWaalsContact O-NH2 3.13Å; F18-F238 HydrophobicContact CE1-CD2 4.28Å; F18-F238 HydrophobicContact CE1-CE2 4.41Å; F18-F238 HydrophobicContact CE2-CB 4.05Å; F18-F238 AromaticContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CG 4.15Å; F18-F238 HydrophobicContact CZ-CB 4.44Å; F18-F238 AromaticContact CZ-CD2 3.41Å; F18-F238 HydrophobicContact CZ-CD2 3.41Å; F18-F238 VanDerWaalsContact CZ-CD2 3.41Å; F18-F238 AromaticContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CG 4.03Å
19W81.8Confident84.2Confident187 Ų18752.1 Ų52.171%0.70827%0.268SS*.THydrogen-bonded Turntrans-89.6-26.3179.4-6890000112.3V16 S17V16-W19 PolarHBondContact O-N 2.95Å; S17-W19 VanDerWaalsContact C-N 3.34Å
20I81.7Confident84.1Confident43 Ų4349.9 Ų49.922%0.22126%0.261CS..SBendtrans-67.6136.1178-66.8170.6000110.9V16 A24 R28 L31V16-I20 HydrophobicContact CG1-CD1 4.47Å; V16-I20 PolarHBondContact O-N 3.48Å; I20-A24 HydrophobicContact CG2-CB 3.76Å; I20-R28 HydrophobicContact CB-CG 3.76Å; I20-R28 HydrophobicContact CD1-CG 4.39Å; I20-R28 HydrophobicContact CG2-CG 3.64Å; I20-L31 HydrophobicContact CD1-CD1 3.63Å
21H78.5Confident83.9Confident126 Ų12651.6 Ų51.658%0.58327%0.27SS*.  trans-56.3142179.6-159.9-97.2000111.6D23 A24H21-D23 IonicContact CE1-OD2 2.93Å; H21-D23 PolarHBondContact CE1-OD2 3.07Å; H21-D23 IonicContact ND1-OD2 2.95Å; H21-D23 PolarHBondContact ND1-OD2 3.09Å; H21-D23 PolarHBondContact O-N 3.01Å; H21-A24 PolarHBondContact O-N 2.85Å
22R73.1Confident83.8Confident77 Ų7751.6 Ų51.629%0.29127%0.27SS..THydrogen-bonded Turntrans-61.8-22.2-171.9-63.4174.6-176.8105.31.7113.8S25 V80 N84 D231R22-S25 PolarHBondContact O-OG 3.21Å; R22-V80 HydrophobicContact CG-CG1 4.38Å; R22-N84 WeakPolarHBondContact CD-ND2 3.38Å; R22-D231 IonicContact CZ-OD2 3.08Å; R22-D231 IonicContact NE-OD2 2.71Å; R22-D231 PolarHBondContact NE-OD2 3.43Å; R22-D231 IonicContact NH2-OD2 2.64Å; R22-D231 PolarHBondContact NH2-OD2 3.43Å
23D75.1Confident83.8Confident128 Ų12848.2 Ų48.268%0.68425%0.253SS*.THydrogen-bonded Turntrans-77.7-24.9179.2-57.4-40.8000112.7H21 S25H21-D23 IonicContact CE1-OD2 2.93Å; H21-D23 PolarHBondContact CE1-OD2 3.07Å; H21-D23 IonicContact ND1-OD2 2.95Å; H21-D23 PolarHBondContact ND1-OD2 3.09Å; H21-D23 PolarHBondContact O-N 3.01Å; D23-S25 PolarHBondContact O-N 3.19Å
24A81.9Confident83.8Confident41 Ų4147.2 Ų47.234%0.33925%0.251SS..  trans-81.550.9175.600000111.8I20 H21 P26 A27 R28I20-A24 HydrophobicContact CG2-CB 3.76Å; H21-A24 PolarHBondContact O-N 2.85Å; A24-P26 VanDerWaalsContact C-CD 3.42Å; A24-A27 PolarHBondContact O-N 2.78Å; A24-R28 PolarHBondContact O-N 3.11Å
25S80.2Confident84Confident9 Ų947.5 Ų47.56%0.06325%0.252CS..Hα-helixtrans-49.7-44.2177.5-76.50000115.3R22 D23 A27 R28 V29 Y77R22-S25 PolarHBondContact O-OG 3.21Å; D23-S25 PolarHBondContact O-N 3.19Å; S25-A27 PolarHBondContact O-N 3.08Å; S25-R28 PolarHBondContact O-N 3.05Å; S25-V29 WeakPolarHBondContact O-CG2 3.39Å; S25-V29 PolarHBondContact O-N 2.93Å; S25-V29 VanDerWaalsContact O-N 3.16Å; S25-Y77 WeakPolarHBondContact CA-OH 3.32Å; S25-Y77 WeakPolarHBondContact CB-OH 3.35Å; S25-Y77 PolarHBondContact O-OH 3.01Å; S25-Y77 PolarHBondContact OG-OH 3.47Å
26P83.2Confident84.1Confident56 Ų5646.5 Ų46.536%0.36425%0.249SC..Hα-helixtrans-64.6-38.2-178.323.9-33.9000113.7A24 S30 A353A24-P26 VanDerWaalsContact C-CD 3.42Å; P26-S30 VanDerWaalsContact O-CB 3.26Å; P26-S30 WeakPolarHBondContact O-CB 3.32Å; P26-S30 PolarHBondContact O-N 3.42Å; P26-A353 HydrophobicContact CB-CB 4.47Å
27A85Confident84.2Confident45 Ų4544.4 Ų44.437%0.37224%0.235SC..Hα-helixtrans-66.6-44.8179.500000111.6A24 S25 S30 L31A24-A27 PolarHBondContact O-N 2.78Å; S25-A27 PolarHBondContact O-N 3.08Å; A27-S30 PolarHBondContact O-N 2.97Å; A27-L31 WeakPolarHBondContact O-CG 3.24Å; A27-L31 PolarHBondContact O-N 3.1Å
28R86.1Confident84.7Confident4 Ų446.6 Ų46.62%0.01525%0.248CC..Hα-helixtrans-61.8-46.9179.1-71-177.263163.10.5112.3S17 I20 A24 S25 L31 G32 E76 Y77 D231S17-R28 WeakPolarHBondContact O-CD 3.39Å; S17-R28 PolarHBondContact O-NE 3.49Å; S17-R28 PolarHBondContact O-NH2 3.39Å; I20-R28 HydrophobicContact CB-CG 3.76Å; I20-R28 HydrophobicContact CD1-CG 4.39Å; I20-R28 HydrophobicContact CG2-CG 3.64Å; A24-R28 PolarHBondContact O-N 3.11Å; S25-R28 PolarHBondContact O-N 3.05Å; R28-L31 PolarHBondContact O-N 3.01Å; R28-G32 PolarHBondContact O-N 3.37Å; R28-E76 IonicContact NH2-OE2 3.31Å; R28-E76 PolarHBondContact NH2-OE2 3.37Å; R28-Y77 HydrophobicContact CB-CD2 4.08Å; R28-Y77 HydrophobicContact CB-CE2 3.94Å; R28-Y77 VanDerWaalsContact NE-CD2 3.34Å; R28-D231 IonicContact NH1-OD1 3.94Å
29V85.7Confident85.1Confident3 Ų346.7 Ų46.72%0.01825%0.249CC..Hα-helixtrans-63.4-47.7178.4172.70000110.6S25 L31 G32 V33 Y77 I346 A353 L357S25-V29 WeakPolarHBondContact O-CG2 3.39Å; S25-V29 PolarHBondContact O-N 2.93Å; S25-V29 VanDerWaalsContact O-N 3.16Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.09Å; V29-G32 PolarHBondContact O-N 3.33Å; V29-V33 HydrophobicContact CG1-CG2 3.93Å; V29-V33 WeakPolarHBondContact O-CB 3.39Å; V29-V33 WeakPolarHBondContact O-CG2 3.22Å; V29-V33 PolarHBondContact O-N 2.94Å; V29-Y77 HydrophobicContact CG2-CD1 3.92Å; V29-Y77 HydrophobicContact CG2-CE1 3.11Å; V29-I346 HydrophobicContact CG2-CD1 4.08Å; V29-A353 HydrophobicContact CB-CB 4.07Å; V29-A353 HydrophobicContact CG1-CB 4.17Å; V29-A353 HydrophobicContact CG2-CB 4.11Å; V29-L357 HydrophobicContact CG1-CD1 3.44Å; V29-L357 VanDerWaalsContact CG1-CD1 3.44Å; V29-L357 HydrophobicContact CG1-CD2 4.07Å; V29-L357 HydrophobicContact CG1-CG 3.43Å; V29-L357 VanDerWaalsContact CG1-CG 3.43Å
30S87.8Confident85.4Confident49 Ų4937.9 Ų37.934%0.34322%0.216SC..Hα-helixtrans-57.1-46.1179.7-172.70000111.5P26 A27 T34P26-S30 VanDerWaalsContact O-CB 3.26Å; P26-S30 WeakPolarHBondContact O-CB 3.32Å; P26-S30 PolarHBondContact O-N 3.42Å; A27-S30 PolarHBondContact O-N 2.97Å; S30-T34 VanDerWaalsContact O-CB 3.23Å; S30-T34 WeakPolarHBondContact O-CB 3.34Å; S30-T34 PolarHBondContact O-N 2.78Å; S30-T34 PolarHBondContact O-OG1 3.45Å
31L88.9Confident85.7Confident58 Ų5838.7 Ų38.730%0.30422%0.223SC..Hα-helixtrans-61.4-53176.1-72.2173.3000111.9I20 A27 R28 V29 V33 T34 T35I20-L31 HydrophobicContact CD1-CD1 3.63Å; A27-L31 WeakPolarHBondContact O-CG 3.24Å; A27-L31 PolarHBondContact O-N 3.1Å; R28-L31 PolarHBondContact O-N 3.01Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.09Å; L31-V33 VanDerWaalsContact C-N 3.33Å; L31-V33 PolarHBondContact O-N 3.45Å; L31-T34 PolarHBondContact O-N 2.91Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 3.19Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.11Å
32G87.7Confident86.2Confident0 Ų034.7 Ų34.70%021%0.205CC..Hα-helixtrans-64.1-35.3-177.200000113.6R28 V29 T35 V36R28-G32 PolarHBondContact O-N 3.37Å; V29-G32 PolarHBondContact O-N 3.33Å; G32-T35 WeakPolarHBondContact CA-OG1 3.27Å; G32-T35 PolarHBondContact O-OG1 2.94Å; G32-V36 WeakPolarHBondContact O-CG2 3.49Å; G32-V36 PolarHBondContact O-N 3.18Å; G32-V36 VanDerWaalsContact O-N 3.15Å
33V88.2Confident86.9Confident7 Ų731.1 Ų31.14%0.04219%0.192CC..Hα-helixtrans-71.7-42.8176.6175.30000110.9V29 L31 T35 V36 L37 L357 M360V29-V33 HydrophobicContact CG1-CG2 3.93Å; V29-V33 WeakPolarHBondContact O-CB 3.39Å; V29-V33 WeakPolarHBondContact O-CG2 3.22Å; V29-V33 PolarHBondContact O-N 2.94Å; L31-V33 VanDerWaalsContact C-N 3.33Å; L31-V33 PolarHBondContact O-N 3.45Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.97Å; V33-V36 PolarHBondContact O-N 2.97Å; V33-L37 PolarHBondContact O-N 2.79Å; V33-L357 HydrophobicContact CB-CD2 4.41Å; V33-L357 HydrophobicContact CG1-CD2 4.49Å; V33-L357 HydrophobicContact CG2-CD2 3.09Å; V33-L357 HydrophobicContact CG2-CG 3.82Å; V33-M360 HydrophobicContact CG1-CB 3.69Å; V33-M360 HydrophobicContact CG1-CG 4.08Å
34T90.5Very high87.3Confident59 Ų5925.7 Ų25.736%0.36216%0.163SC..Hα-helixtrans-61.8-43.1177.2-58.10000110.3S30 L31 L37 T38S30-T34 VanDerWaalsContact O-CB 3.23Å; S30-T34 WeakPolarHBondContact O-CB 3.34Å; S30-T34 PolarHBondContact O-N 2.78Å; S30-T34 PolarHBondContact O-OG1 3.45Å; L31-T34 PolarHBondContact O-N 2.91Å; T34-L37 PolarHBondContact O-N 3.35Å; T34-T38 HydrophobicContact CG2-CG2 4.18Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 2.96Å; T34-T38 PolarHBondContact O-N 3.37Å; T34-T38 PolarHBondContact O-OG1 3.33Å
35T91.7Very high87.5Confident6 Ų627.2 Ų27.24%0.03717%0.169CC..Hα-helixtrans-65.6-37.717852.90000112.7I10 I13 L31 G32 V33 T38 M39 V70I10-T35 HydrophobicContact CG2-CG2 3.94Å; I13-T35 HydrophobicContact CB-CG2 4.38Å; I13-T35 HydrophobicContact CG2-CG2 3.96Å; L31-T35 WeakPolarHBondContact O-CG2 3.29Å; L31-T35 PolarHBondContact O-N 3.19Å; L31-T35 PolarHBondContact O-OG1 3.35Å; L31-T35 VanDerWaalsContact O-OG1 3.11Å; G32-T35 WeakPolarHBondContact CA-OG1 3.27Å; G32-T35 PolarHBondContact O-OG1 2.94Å; V33-T35 VanDerWaalsContact C-N 3.32Å; V33-T35 PolarHBondContact O-N 2.97Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-OG1 3.3Å; T35-T38 VanDerWaalsContact O-OG1 3.07Å; T35-M39 WeakPolarHBondContact O-CB 3.28Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 2.93Å; T35-V70 WeakPolarHBondContact OG1-CG1 3.16Å
36V90.2Very high87.7Confident2 Ų227 Ų271%0.01217%0.167CC..Hα-helixtrans-65.9-43.7173177.60000111.1G32 V33 M39 T40 F67 V70 L74 I339G32-V36 WeakPolarHBondContact O-CG2 3.49Å; G32-V36 PolarHBondContact O-N 3.18Å; G32-V36 VanDerWaalsContact O-N 3.15Å; V33-V36 PolarHBondContact O-N 2.97Å; V36-M39 PolarHBondContact O-N 2.83Å; V36-T40 PolarHBondContact O-N 2.86Å; V36-T40 PolarHBondContact O-OG1 3.05Å; V36-F67 HydrophobicContact CG1-CD2 4.38Å; V36-F67 HydrophobicContact CG1-CE2 3.44Å; V36-F67 VanDerWaalsContact CG1-CE2 3.44Å; V36-F67 HydrophobicContact CG1-CZ 3.52Å; V36-F67 WeakPolarHBondContact O-CE2 3.38Å; V36-V70 HydrophobicContact CB-CG1 4.45Å; V36-V70 HydrophobicContact CG2-CB 4.33Å; V36-V70 HydrophobicContact CG2-CG1 3.53Å; V36-L74 HydrophobicContact CG2-CD1 3.59Å; V36-I339 HydrophobicContact CB-CD1 3.79Å; V36-I339 HydrophobicContact CG1-CD1 3.43Å; V36-I339 VanDerWaalsContact CG1-CD1 3.43Å; V36-I339 HydrophobicContact CG2-CD1 3.82Å
37L87.9Confident87.4Confident26 Ų2624.5 Ų24.514%0.13615%0.15CC..Hα-helixtrans-66.1-44.5-179.5-177.951.8000111.7V33 T34 M39 T40 T41 M360 T364V33-L37 PolarHBondContact O-N 2.79Å; T34-L37 PolarHBondContact O-N 3.35Å; L37-M39 VanDerWaalsContact C-N 3.28Å; L37-M39 PolarHBondContact O-N 2.85Å; L37-T40 WeakPolarHBondContact O-CA 3.29Å; L37-T40 WeakPolarHBondContact O-CB 3.27Å; L37-T40 PolarHBondContact O-N 3.34Å; L37-T41 PolarHBondContact O-N 3.29Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-T41 VanDerWaalsContact O-OG1 3.11Å; L37-M360 HydrophobicContact CB-CE 4.48Å; L37-M360 HydrophobicContact CD2-CE 3.44Å; L37-M360 VanDerWaalsContact CD2-CE 3.44Å; L37-M360 HydrophobicContact CD2-SD 4.33Å; L37-T364 HydrophobicContact CD1-CG2 3.42Å; L37-T364 VanDerWaalsContact CD1-CG2 3.42Å; L37-T364 WeakPolarHBondContact CD1-OG1 3.34Å
38T90.6Very high87Confident49 Ų4926.1 Ų26.130%0.30116%0.164SC..Hα-helixtrans-62.3-36.6176.954.70000111.6T34 T35 T41 L42T34-T38 HydrophobicContact CG2-CG2 4.18Å; T34-T38 WeakPolarHBondContact O-CB 3.27Å; T34-T38 VanDerWaalsContact O-CG2 3.29Å; T34-T38 WeakPolarHBondContact O-CG2 2.96Å; T34-T38 PolarHBondContact O-N 3.37Å; T34-T38 PolarHBondContact O-OG1 3.33Å; T35-T38 WeakPolarHBondContact CA-OG1 3.48Å; T35-T38 PolarHBondContact O-OG1 3.3Å; T35-T38 VanDerWaalsContact O-OG1 3.07Å; T38-T41 PolarHBondContact O-N 3.07Å; T38-L42 WeakPolarHBondContact O-CB 3.32Å; T38-L42 VanDerWaalsContact O-CG 3.28Å; T38-L42 WeakPolarHBondContact O-CG 3.09Å; T38-L42 PolarHBondContact O-N 3.42Å
39M90.8Very high86.8Confident5 Ų530.4 Ų30.43%0.02520%0.195CC..Hα-helixtrans-65.2-42170.5-69.6-7181.800112.8I10 T35 V36 L37 T41 L42 M43 C66 F67 V70I10-M39 HydrophobicContact CB-CE 3.61Å; I10-M39 HydrophobicContact CB-SD 4.32Å; I10-M39 HydrophobicContact CD1-CE 3.27Å; I10-M39 HydrophobicContact CG1-CE 4Å; I10-M39 HydrophobicContact CG2-CE 3.59Å; I10-M39 HydrophobicContact CG2-CG 3.65Å; I10-M39 HydrophobicContact CG2-SD 3.95Å; T35-M39 WeakPolarHBondContact O-CB 3.28Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 2.93Å; V36-M39 PolarHBondContact O-N 2.83Å; L37-M39 VanDerWaalsContact C-N 3.28Å; L37-M39 PolarHBondContact O-N 2.85Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 3.41Å; M39-L42 HydrophobicContact CE-CB 4.43Å; M39-L42 HydrophobicContact CE-CD1 3.33Å; M39-L42 HydrophobicContact CE-CG 4.46Å; M39-L42 PolarHBondContact O-N 3.17Å; M39-M43 WeakPolarHBondContact O-CB 3.27Å; M39-M43 PolarHBondContact O-N 2.78Å; M39-C66 HydrophobicContact SD-CB 4.25Å; M39-F67 HydrophobicContact CB-CD2 3.59Å; M39-F67 HydrophobicContact CB-CE2 4.09Å; M39-V70 HydrophobicContact CG-CG2 4.19Å
40T88.8Confident86.2Confident3 Ų333.2 Ų33.22%0.01821%0.209CC..Hα-helixtrans-59.1-47.7175.8-53.50000110.3V36 L37 M43 T44 F67 P332 T364 L368V36-T40 PolarHBondContact O-N 2.86Å; V36-T40 PolarHBondContact O-OG1 3.05Å; L37-T40 WeakPolarHBondContact O-CA 3.29Å; L37-T40 WeakPolarHBondContact O-CB 3.27Å; L37-T40 PolarHBondContact O-N 3.34Å; T40-M43 WeakPolarHBondContact O-CB 3.49Å; T40-M43 PolarHBondContact O-N 3.5Å; T40-T44 WeakPolarHBondContact O-CG2 3.44Å; T40-T44 PolarHBondContact O-N 3.38Å; T40-T44 PolarHBondContact O-OG1 2.9Å; T40-F67 WeakPolarHBondContact OG1-CE2 3.33Å; T40-F67 WeakPolarHBondContact OG1-CZ 3.17Å; T40-P332 HydrophobicContact CG2-CB 3.92Å; T40-T364 HydrophobicContact CG2-CG2 4.22Å; T40-L368 HydrophobicContact CG2-CD1 4.36Å; T40-L368 HydrophobicContact CG2-CD2 3.67Å; T40-L368 HydrophobicContact CG2-CG 4.2Å
41T88.4Confident85.3Confident60 Ų6035.6 Ų35.637%0.36822%0.223SC..Hα-helixtrans-62.4-47.4177.7-56.50000110.8L37 T38 M39 M43 T44 T45L37-T41 PolarHBondContact O-N 3.29Å; L37-T41 PolarHBondContact O-OG1 3.06Å; L37-T41 VanDerWaalsContact O-OG1 3.11Å; T38-T41 PolarHBondContact O-N 3.07Å; M39-T41 VanDerWaalsContact C-N 3.34Å; M39-T41 PolarHBondContact O-N 3.41Å; T41-M43 VanDerWaalsContact C-N 3.25Å; T41-M43 PolarHBondContact O-N 3.4Å; T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.29Å; T41-T44 VanDerWaalsContact O-N 3.12Å; T41-T44 PolarHBondContact O-OG1 3.14Å; T41-T45 WeakPolarHBondContact O-CB 3.48Å; T41-T45 PolarHBondContact O-N 3.39Å; T41-T45 PolarHBondContact O-OG1 3.34Å
42L89.6Confident84.3Confident41 Ų4136.5 Ų36.522%0.21523%0.225CC..Hα-helixtrans-59.8-37177.4-79.3168.5000112.3P6 I10 T38 M39 T46P6-L42 HydrophobicContact CB-CD1 4.35Å; I10-L42 HydrophobicContact CD1-CD1 3.38Å; T38-L42 WeakPolarHBondContact O-CB 3.32Å; T38-L42 VanDerWaalsContact O-CG 3.28Å; T38-L42 WeakPolarHBondContact O-CG 3.09Å; T38-L42 PolarHBondContact O-N 3.42Å; M39-L42 HydrophobicContact CE-CB 4.43Å; M39-L42 HydrophobicContact CE-CD1 3.33Å; M39-L42 HydrophobicContact CE-CG 4.46Å; M39-L42 PolarHBondContact O-N 3.17Å; L42-T46 WeakPolarHBondContact O-CB 3.41Å; L42-T46 PolarHBondContact O-N 2.97Å; L42-T46 PolarHBondContact O-OG1 3.4Å
43M85.8Confident83.4Confident3 Ų338.2 Ų38.22%0.01524%0.235CC..Hα-helixtrans-61.6-54.6172.4-167.4173.6-160.300110.4M39 T40 T41 T45 T46 N47 V327 P332M39-M43 WeakPolarHBondContact O-CB 3.27Å; M39-M43 PolarHBondContact O-N 2.78Å; T40-M43 WeakPolarHBondContact O-CB 3.49Å; T40-M43 PolarHBondContact O-N 3.5Å; T41-M43 VanDerWaalsContact C-N 3.25Å; T41-M43 PolarHBondContact O-N 3.4Å; M43-T45 VanDerWaalsContact C-N 3.32Å; M43-T45 PolarHBondContact O-N 3.16Å; M43-T46 PolarHBondContact O-N 2.86Å; M43-N47 PolarHBondContact O-N 2.87Å; M43-N47 VanDerWaalsContact O-N 3.12Å; M43-N47 PolarHBondContact O-ND2 3.3Å; M43-N47 PolarHBondContact O-OD1 2.76Å; M43-V327 HydrophobicContact CE-CB 4.43Å; M43-V327 HydrophobicContact CE-CG1 3.36Å; M43-V327 WeakPolarHBondContact CE-O 3.35Å; M43-P332 HydrophobicContact SD-CG 4.44Å
44T85.1Confident82.3Confident14 Ų1439.6 Ų39.69%0.08625%0.245CC..Hα-helixtrans-59.6-38.417958.90000113.5T40 T41 N47 A48 L368T40-T44 WeakPolarHBondContact O-CG2 3.44Å; T40-T44 PolarHBondContact O-N 3.38Å; T40-T44 PolarHBondContact O-OG1 2.9Å; T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.29Å; T41-T44 VanDerWaalsContact O-N 3.12Å; T41-T44 PolarHBondContact O-OG1 3.14Å; T44-N47 PolarHBondContact O-N 2.85Å; T44-A48 PolarHBondContact O-N 3.25Å; T44-L368 HydrophobicContact CG2-CD2 3.91Å
45T86Confident81.2Confident73 Ų7344 Ų4445%0.44826%0.256SS..Hα-helixtrans-69.8-43.8178-58.70000111.4T41 M43 N47 A48 S49T41-T45 WeakPolarHBondContact O-CB 3.48Å; T41-T45 PolarHBondContact O-N 3.39Å; T41-T45 PolarHBondContact O-OG1 3.34Å; M43-T45 VanDerWaalsContact C-N 3.32Å; M43-T45 PolarHBondContact O-N 3.16Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-A48 WeakPolarHBondContact O-CB 3.32Å; T45-A48 PolarHBondContact O-N 3.33Å; T45-S49 PolarHBondContact O-N 3.5Å; T45-S49 VanDerWaalsContact O-N 3.09Å; T45-S49 PolarHBondContact O-OG 2.79Å
46T83.3Confident80.1Confident3 Ų347.6 Ų47.62%0.01827%0.274CS..Hα-helixtrans-56.5-37.9176.5-62.80000110.8I3 L42 M43 S49 L50 I59 L63I3-T46 HydrophobicContact CD1-CG2 3.63Å; I3-T46 HydrophobicContact CG2-CG2 4.49Å; L42-T46 WeakPolarHBondContact O-CB 3.41Å; L42-T46 PolarHBondContact O-N 2.97Å; L42-T46 PolarHBondContact O-OG1 3.4Å; M43-T46 PolarHBondContact O-N 2.86Å; T46-S49 PolarHBondContact O-N 2.8Å; T46-L50 HydrophobicContact CG2-CD1 3.46Å; T46-L50 VanDerWaalsContact CG2-CD1 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.49Å; T46-L50 PolarHBondContact O-N 2.82Å; T46-L50 VanDerWaalsContact O-N 3.16Å; T46-I59 HydrophobicContact CG2-CG1 4.08Å; T46-L63 HydrophobicContact CG2-CD1 3.95Å
47N76.9Confident79.5Confident4 Ų448.4 Ų48.42%0.02128%0.278CS..Hα-helixtrans-72-29.3179.1-57.8-30.8000113.5M43 T44 T45 F324 Q328M43-N47 PolarHBondContact O-N 2.87Å; M43-N47 VanDerWaalsContact O-N 3.12Å; M43-N47 PolarHBondContact O-ND2 3.3Å; M43-N47 PolarHBondContact O-OD1 2.76Å; T44-N47 PolarHBondContact O-N 2.85Å; T45-N47 PolarHBondContact O-N 3.3Å; N47-F324 HydrophobicContact CB-CZ 4.5Å; N47-Q328 VanDerWaalsContact CB-OE1 3.27Å; N47-Q328 WeakPolarHBondContact ND2-CG 3.29Å; N47-Q328 PolarHBondContact ND2-NE2 2.87Å; N47-Q328 PolarHBondContact ND2-OE1 2.86Å; N47-Q328 VanDerWaalsContact OD1-CD 3.22Å; N47-Q328 PolarHBondContact OD1-NE2 3.43Å
48A77.5Confident79.1Confident80 Ų8049 Ų4966%0.66129%0.286SS*.Hα-helixtrans-74.2-30.4173.200000112.2T44 T45T44-A48 PolarHBondContact O-N 3.25Å; T45-A48 WeakPolarHBondContact O-CB 3.32Å; T45-A48 PolarHBondContact O-N 3.33Å
49S81Confident78.7Confident94 Ų9447.6 Ų47.666%0.65728%0.277SS*.Hα-helixtrans-84.8-22.2-177.7-54.80000114.4T45 T46T45-S49 PolarHBondContact O-N 3.5Å; T45-S49 VanDerWaalsContact O-N 3.09Å; T45-S49 PolarHBondContact O-OG 2.79Å; T46-S49 PolarHBondContact O-N 2.8Å
50L74.5Confident78.3Confident62 Ų6247.4 Ų47.433%0.32528%0.276SS..SBendtrans-101.1143.3-179.8-70.8155.2000110.5T46 K52 I59T46-L50 HydrophobicContact CG2-CD1 3.46Å; T46-L50 VanDerWaalsContact CG2-CD1 3.46Å; T46-L50 WeakPolarHBondContact O-CD1 3.49Å; T46-L50 PolarHBondContact O-N 2.82Å; T46-L50 VanDerWaalsContact O-N 3.16Å; L50-K52 PolarHBondContact O-N 2.68Å; L50-I59 HydrophobicContact CD1-CG2 4.06Å
51P68.9Low77.9Confident98 Ų9851.4 Ų51.464%0.63630%0.296SS*.  trans-57139.8171.224.8-32.4000109.7V53P51-V53 HydrophobicContact CG-CG2 4.5Å; P51-V53 PolarHBondContact O-N 2.87Å
52K67.3Low77.9Confident78 Ų7848.6 Ų48.634%0.33928%0.279SS..  trans-70.1105.7178.1-64.3177.8-176.1166.20108L50 P288 F324 Q375L50-K52 PolarHBondContact O-N 2.68Å; K52-P288 WeakPolarHBondContact O-CB 3.39Å; K52-F324 HydrophobicContact CB-CE2 4.48Å; K52-F324 HydrophobicContact CB-CZ 4.45Å; K52-F324 HydrophobicContact CG-CE2 4.38Å; K52-F324 HydrophobicContact CG-CZ 3.94Å; K52-Q375 PolarHBondContact NZ-O 3.45Å
53V67.8Low77.7Confident35 Ų3546.9 Ų46.921%0.21227%0.27CS..  trans-107.4141.7176.5-174.70000108.4P51 Y55 P288P51-V53 HydrophobicContact CG-CG2 4.5Å; P51-V53 PolarHBondContact O-N 2.87Å; V53-Y55 VanDerWaalsContact C-N 3.28Å; V53-Y55 HydrophobicContact CB-CE1 4.41Å; V53-Y55 HydrophobicContact CG1-CD1 3.38Å; V53-Y55 HydrophobicContact CG1-CD2 4.38Å; V53-Y55 HydrophobicContact CG1-CE1 3.12Å; V53-Y55 HydrophobicContact CG1-CE2 4.15Å; V53-Y55 HydrophobicContact CG1-CG 4.01Å; V53-Y55 PolarHBondContact O-N 3.46Å; V53-P288 CarbonylContact C-O 3.48Å
54S65.6Low77.7Confident37 Ų3747 Ų4726%0.25927%0.272SS..SBendtrans-68-28.1-170.3820000113.2P288 N321S54-P288 VanDerWaalsContact CA-O 3.27Å; S54-P288 WeakPolarHBondContact CA-O 3.45Å; S54-P288 VanDerWaalsContact CB-O 3.22Å; S54-P288 WeakPolarHBondContact CB-O 3.19Å; S54-P288 PolarHBondContact N-O 3.36Å; S54-N321 PolarHBondContact O-ND2 2.89Å
55Y67.3Low77.7Confident151 Ų15147.9 Ų47.959%0.59228%0.278SS*.SBendtrans-83.7150178.162.9-103.7000112V53 K57V53-Y55 VanDerWaalsContact C-N 3.28Å; V53-Y55 HydrophobicContact CB-CE1 4.41Å; V53-Y55 HydrophobicContact CG1-CD1 3.38Å; V53-Y55 HydrophobicContact CG1-CD2 4.38Å; V53-Y55 HydrophobicContact CG1-CE1 3.12Å; V53-Y55 HydrophobicContact CG1-CE2 4.15Å; V53-Y55 HydrophobicContact CG1-CG 4.01Å; V53-Y55 PolarHBondContact O-N 3.46Å; Y55-K57 HydrophobicContact CD2-CG 4.37Å; Y55-K57 HydrophobicContact CE2-CG 4.06Å; Y55-K57 PolarHBondContact O-N 3.47Å; Y55-K57 VanDerWaalsContact O-N 3.16Å
56I69.1Low77.8Confident81 Ų8144.5 Ų44.542%0.41526%0.257SS..  trans-64114.8173.1-62166.4000107.6D60 I61 V327I56-D60 HydrophobicContact CG2-CB 4.29Å; I56-I61 HydrophobicContact CG2-CD1 4.05Å; I56-I61 HydrophobicContact CG2-CG1 3.54Å; I56-V327 HydrophobicContact CD1-CG2 4.33Å; I56-V327 HydrophobicContact CG1-CG2 4.26Å; I56-V327 HydrophobicContact CG2-CG2 4.36Å
57K77.4Confident78.1Confident20 Ų2044.4 Ų44.49%0.08726%0.256CS..  trans-75.1150.1-179.7-60.4-178.7-60.4-51.90109.4Y55 I59 D60 I61Y55-K57 HydrophobicContact CD2-CG 4.37Å; Y55-K57 HydrophobicContact CE2-CG 4.06Å; Y55-K57 PolarHBondContact O-N 3.47Å; Y55-K57 VanDerWaalsContact O-N 3.16Å; K57-I59 HydrophobicContact CB-CG2 3.66Å; K57-I59 HydrophobicContact CD-CG2 4.41Å; K57-I59 PolarHBondContact O-N 2.8Å; K57-I59 VanDerWaalsContact O-N 3.14Å; K57-D60 WeakPolarHBondContact CB-OD2 3.42Å; K57-D60 PolarHBondContact N-OD2 3.43Å; K57-D60 VanDerWaalsContact N-OD2 3.17Å; K57-D60 IonicContact NZ-OD1 2.78Å; K57-D60 PolarHBondContact NZ-OD1 3.25Å; K57-D60 IonicContact NZ-OD2 2.68Å; K57-D60 PolarHBondContact NZ-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CA 3.25Å; K57-D60 WeakPolarHBondContact O-CB 3.4Å; K57-D60 PolarHBondContact O-N 3.44Å; K57-I61 PolarHBondContact O-N 3.16Å
58A78.9Confident78.6Confident38 Ų3847.7 Ų47.731%0.31428%0.276SS..Hα-helixtrans-53-37.1174.600000112.2D60 I61 Y62 Y249A58-D60 VanDerWaalsContact C-N 3.32Å; A58-D60 PolarHBondContact O-N 2.96Å; A58-I61 PolarHBondContact O-N 2.83Å; A58-Y62 WeakPolarHBondContact O-CB 3.4Å; A58-Y62 PolarHBondContact O-N 3.19Å; A58-Y249 HydrophobicContact CB-CE2 4.12Å; A58-Y249 WeakPolarHBondContact O-CE2 3.21Å; A58-Y249 PolarHBondContact O-OH 2.99Å
59I82.4Confident79.1Confident19 Ų1944.8 Ų44.810%0.09725%0.249CC..Hα-helixtrans-60.6-36.8174.1-173.465.6000113I3 Y4 T46 L50 K57 Y62 L63I3-I59 HydrophobicContact CG2-CD1 4.05Å; Y4-I59 HydrophobicContact CD1-CD1 4.27Å; Y4-I59 HydrophobicContact CE1-CD1 3.61Å; Y4-I59 HydrophobicContact CE2-CD1 4.01Å; Y4-I59 VanDerWaalsContact CZ-CD1 3.47Å; T46-I59 HydrophobicContact CG2-CG1 4.08Å; L50-I59 HydrophobicContact CD1-CG2 4.06Å; K57-I59 HydrophobicContact CB-CG2 3.66Å; K57-I59 HydrophobicContact CD-CG2 4.41Å; K57-I59 PolarHBondContact O-N 2.8Å; K57-I59 VanDerWaalsContact O-N 3.14Å; I59-Y62 HydrophobicContact CD1-CD1 4.18Å; I59-Y62 PolarHBondContact O-N 2.93Å; I59-L63 HydrophobicContact CD1-CG 4.36Å; I59-L63 HydrophobicContact CG1-CD1 4.16Å; I59-L63 HydrophobicContact CG1-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.37Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å
60D82.1Confident79.5Confident1 Ų140.3 Ų40.31%0.00522%0.218CC..Hα-helixtrans-70.2-39-180-58.5-34.7000110.2I56 K57 A58 G64 V327I56-D60 HydrophobicContact CG2-CB 4.29Å; K57-D60 WeakPolarHBondContact CB-OD2 3.42Å; K57-D60 PolarHBondContact N-OD2 3.43Å; K57-D60 VanDerWaalsContact N-OD2 3.17Å; K57-D60 IonicContact NZ-OD1 2.78Å; K57-D60 PolarHBondContact NZ-OD1 3.25Å; K57-D60 IonicContact NZ-OD2 2.68Å; K57-D60 PolarHBondContact NZ-OD2 3.44Å; K57-D60 WeakPolarHBondContact O-CA 3.25Å; K57-D60 WeakPolarHBondContact O-CB 3.4Å; K57-D60 PolarHBondContact O-N 3.44Å; A58-D60 VanDerWaalsContact C-N 3.32Å; A58-D60 PolarHBondContact O-N 2.96Å; D60-G64 PolarHBondContact O-N 2.84Å; D60-V327 HydrophobicContact CB-CG1 3.88Å
61I82.1Confident80.1Confident88 Ų8838.2 Ų38.245%0.45121%0.206SC..Hα-helixtrans-63.4-44.8174.2-59.3174.5000110.4I56 K57 A58 G64 T65I56-I61 HydrophobicContact CG2-CD1 4.05Å; I56-I61 HydrophobicContact CG2-CG1 3.54Å; K57-I61 PolarHBondContact O-N 3.16Å; A58-I61 PolarHBondContact O-N 2.83Å; I61-G64 PolarHBondContact O-N 3.41Å; I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 PolarHBondContact O-N 2.96Å; I61-T65 PolarHBondContact O-OG1 2.91Å
62Y86.6Confident81Confident0 Ų034.8 Ų34.80%019%0.186CC..Hα-helixtrans-61.6-52.6177.5169.2-94.2000111.7Y4 S7 M8 A58 I59 G64 T65 C66 F245 N246 Y249Y4-Y62 AromaticContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD1 3.7Å; Y4-Y62 HydrophobicContact CD1-CD2 4.46Å; Y4-Y62 AromaticContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE1 3.46Å; Y4-Y62 VanDerWaalsContact CD1-CE1 3.46Å; Y4-Y62 HydrophobicContact CD1-CE2 4.28Å; Y4-Y62 HydrophobicContact CD1-CG 4.21Å; Y4-Y62 AromaticContact CD1-CZ 3.79Å; Y4-Y62 AromaticContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD1 3.6Å; Y4-Y62 HydrophobicContact CE1-CD2 4.3Å; Y4-Y62 AromaticContact CE1-CE1 3.89Å; Y4-Y62 HydrophobicContact CE1-CE1 3.89Å; Y4-Y62 AromaticContact CE1-CG 3.84Å; Y4-Y62 HydrophobicContact CE1-CG 3.84Å; S7-Y62 WeakPolarHBondContact OG-CE1 3.3Å; S7-Y62 PolarHBondContact OG-OH 3.17Å; M8-Y62 HydrophobicContact CE-CE2 3.73Å; M8-Y62 WeakPolarHBondContact CE-OH 2.88Å; M8-Y62 WeakPolarHBondContact CG-OH 3.47Å; M8-Y62 PolarHBondContact SD-OH 3.39Å; M8-Y62 VanDerWaalsContact SD-OH 3.33Å; A58-Y62 WeakPolarHBondContact O-CB 3.4Å; A58-Y62 PolarHBondContact O-N 3.19Å; I59-Y62 HydrophobicContact CD1-CD1 4.18Å; I59-Y62 PolarHBondContact O-N 2.93Å; Y62-G64 VanDerWaalsContact C-N 3.31Å; Y62-G64 PolarHBondContact O-N 3.41Å; Y62-T65 PolarHBondContact O-N 3.38Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; Y62-C66 PolarHBondContact O-N 3.35Å; Y62-C66 PolarHBondContact O-SG 3.44Å; Y62-C66 VanDerWaalsContact O-SG 3.38Å; Y62-F245 AromaticContact CD2-CE1 3.99Å; Y62-F245 HydrophobicContact CD2-CE1 3.99Å; Y62-N246 WeakPolarHBondContact CE2-OD1 3.14Å; Y62-Y249 HydrophobicContact CD2-CD1 4.02Å; Y62-Y249 HydrophobicContact CD2-CE1 4.06Å; Y62-Y249 HydrophobicContact CD2-CG 4.28Å; Y62-Y249 HydrophobicContact CG-CE1 4.26Å
63L85.7Confident81.9Confident5 Ų531.1 Ų31.13%0.02617%0.17CC..Hα-helixtrans-62-40.3178.1-72.1176.9000111.7I3 T46 I59 T65 C66 F67I3-L63 HydrophobicContact CG2-CD1 4.19Å; I3-L63 HydrophobicContact CG2-CD2 3.98Å; I3-L63 HydrophobicContact CG2-CG 4.48Å; T46-L63 HydrophobicContact CG2-CD1 3.95Å; I59-L63 HydrophobicContact CD1-CG 4.36Å; I59-L63 HydrophobicContact CG1-CD1 4.16Å; I59-L63 HydrophobicContact CG1-CG 4.4Å; I59-L63 WeakPolarHBondContact O-CB 3.37Å; I59-L63 WeakPolarHBondContact O-CG 3.47Å; I59-L63 PolarHBondContact O-N 3.02Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 2.9Å; L63-C66 PolarHBondContact O-N 3.47Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.83Å
64G86.1Confident82.7Confident6 Ų629.7 Ų29.76%0.06216%0.162CC..Hα-helixtrans-60.8-39.9175.300000112.7D60 I61 Y62 F67 V68 Q331D60-G64 PolarHBondContact O-N 2.84Å; I61-G64 PolarHBondContact O-N 3.41Å; Y62-G64 VanDerWaalsContact C-N 3.31Å; Y62-G64 PolarHBondContact O-N 3.41Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 2.89Å; G64-V68 WeakPolarHBondContact O-CG2 3.16Å; G64-V68 PolarHBondContact O-N 2.97Å; G64-Q331 VanDerWaalsContact CA-NE2 3.25Å
65T86.1Confident83.7Confident33 Ų3331.9 Ų31.920%0.20217%0.17CC..Hα-helixtrans-71.5-42.9177.8-53.80000111.9I61 Y62 L63 F67 V68 M69 F245I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 PolarHBondContact O-N 2.96Å; I61-T65 PolarHBondContact O-OG1 2.91Å; Y62-T65 PolarHBondContact O-N 3.38Å; Y62-T65 VanDerWaalsContact O-N 3.17Å; L63-T65 VanDerWaalsContact C-N 3.32Å; L63-T65 PolarHBondContact O-N 2.9Å; T65-F67 PolarHBondContact O-N 2.81Å; T65-V68 PolarHBondContact O-N 2.88Å; T65-M69 WeakPolarHBondContact O-CG 3.15Å; T65-M69 PolarHBondContact O-N 3.43Å; T65-F245 VanDerWaalsContact CB-CE1 3.47Å; T65-F245 HydrophobicContact CG2-CD1 3.6Å; T65-F245 HydrophobicContact CG2-CD2 3.69Å; T65-F245 HydrophobicContact CG2-CE1 3.58Å; T65-F245 HydrophobicContact CG2-CE2 3.66Å; T65-F245 HydrophobicContact CG2-CG 3.65Å; T65-F245 HydrophobicContact CG2-CZ 3.61Å; T65-F245 WeakPolarHBondContact OG1-CE2 3.39Å; T65-F245 WeakPolarHBondContact OG1-CZ 3.38Å
66C88.2Confident84.7Confident1 Ų125.2 Ų25.21%0.00714%0.144CC..Hα-helixtrans-55.7-43.2171.7-70.70000111.1V11 M39 Y62 L63 M69 V70V11-C66 HydrophobicContact CG2-CB 3.74Å; M39-C66 HydrophobicContact SD-CB 4.25Å; Y62-C66 PolarHBondContact O-N 3.35Å; Y62-C66 PolarHBondContact O-SG 3.44Å; Y62-C66 VanDerWaalsContact O-SG 3.38Å; L63-C66 PolarHBondContact O-N 3.47Å; C66-M69 PolarHBondContact O-N 3.24Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 2.87Å
67F88.9Confident85.4Confident2 Ų221.8 Ų21.81%0.00913%0.126CC..Hα-helixtrans-61.2-46.8177.4-165.1-109.1000112.8V36 M39 T40 L63 G64 T65 M69 V70 F71 P332 M335V36-F67 HydrophobicContact CG1-CD2 4.38Å; V36-F67 HydrophobicContact CG1-CE2 3.44Å; V36-F67 VanDerWaalsContact CG1-CE2 3.44Å; V36-F67 HydrophobicContact CG1-CZ 3.52Å; V36-F67 WeakPolarHBondContact O-CE2 3.38Å; M39-F67 HydrophobicContact CB-CD2 3.59Å; M39-F67 HydrophobicContact CB-CE2 4.09Å; T40-F67 WeakPolarHBondContact OG1-CE2 3.33Å; T40-F67 WeakPolarHBondContact OG1-CZ 3.17Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.83Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 2.89Å; T65-F67 PolarHBondContact O-N 2.81Å; F67-M69 VanDerWaalsContact C-N 3.31Å; F67-M69 PolarHBondContact O-N 3.19Å; F67-V70 PolarHBondContact O-N 3.08Å; F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.34Å; F67-P332 HydrophobicContact CE1-CB 4.43Å; F67-P332 HydrophobicContact CZ-CB 4.25Å; F67-M335 HydrophobicContact CD1-CB 4.39Å; F67-M335 HydrophobicContact CD1-CG 4.08Å; F67-M335 HydrophobicContact CE1-CB 3.46Å; F67-M335 VanDerWaalsContact CE1-CB 3.46Å; F67-M335 HydrophobicContact CE1-CG 3.57Å; F67-M335 HydrophobicContact CZ-CB 4.11Å
68V87.6Confident85.8Confident73 Ų7321.1 Ų21.144%0.44212%0.124SC..Hα-helixtrans-61.3-39.6176.3171.30000111.3G64 T65 F71 A72G64-V68 WeakPolarHBondContact O-CG2 3.16Å; G64-V68 PolarHBondContact O-N 2.97Å; T65-V68 PolarHBondContact O-N 2.88Å; V68-F71 PolarHBondContact O-N 3.41Å; V68-A72 WeakPolarHBondContact O-CB 2.86Å; V68-A72 PolarHBondContact O-N 3.15Å
69M87.7Confident86.1Confident19 Ų1921.1 Ų21.19%0.09412%0.124CC..Hα-helixtrans-63-46.8176.2-70.4-62.6-174.800112.4V11 T65 C66 F67 F71 A72 S73 F238 L241V11-M69 HydrophobicContact CG1-CB 4.49Å; T65-M69 WeakPolarHBondContact O-CG 3.15Å; T65-M69 PolarHBondContact O-N 3.43Å; C66-M69 PolarHBondContact O-N 3.24Å; F67-M69 VanDerWaalsContact C-N 3.31Å; F67-M69 PolarHBondContact O-N 3.19Å; M69-F71 VanDerWaalsContact C-N 3.31Å; M69-F71 PolarHBondContact O-N 3.15Å; M69-A72 PolarHBondContact O-N 3.02Å; M69-S73 PolarHBondContact O-N 2.68Å; M69-S73 VanDerWaalsContact O-N 3.15Å; M69-F238 HydrophobicContact SD-CD1 4.4Å; M69-L241 HydrophobicContact CE-CB 3.45Å; M69-L241 VanDerWaalsContact CE-CB 3.45Å; M69-L241 HydrophobicContact CE-CD1 4.45Å; M69-L241 HydrophobicContact SD-CB 4.27Å
70V89.3Confident86.3Confident0 Ų020.3 Ų20.30%012%0.12CC..Hα-helixtrans-62.6-42.6177179.90000110V11 T35 V36 M39 C66 F67 A72 S73 L74V11-V70 HydrophobicContact CB-CG2 4.49Å; V11-V70 HydrophobicContact CG2-CG2 3.93Å; T35-V70 WeakPolarHBondContact OG1-CG1 3.16Å; V36-V70 HydrophobicContact CB-CG1 4.45Å; V36-V70 HydrophobicContact CG2-CB 4.33Å; V36-V70 HydrophobicContact CG2-CG1 3.53Å; M39-V70 HydrophobicContact CG-CG2 4.19Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 2.87Å; F67-V70 PolarHBondContact O-N 3.08Å; V70-A72 PolarHBondContact O-N 2.9Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 3.12Å; V70-S73 PolarHBondContact O-OG 3.27Å; V70-L74 PolarHBondContact O-N 3.5Å
71F87.6Confident86.3Confident17 Ų1720.8 Ų20.88%0.07512%0.123CC..Hα-helixtrans-64.4-39.2177.7-179.7-111.8000112.8F67 V68 M69 S73 L74 I75 M335 T338 I339F67-F71 WeakPolarHBondContact O-CB 3.34Å; F67-F71 PolarHBondContact O-N 3.34Å; V68-F71 PolarHBondContact O-N 3.41Å; M69-F71 VanDerWaalsContact C-N 3.31Å; M69-F71 PolarHBondContact O-N 3.15Å; F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 3.42Å; F71-L74 WeakPolarHBondContact O-CB 3.26Å; F71-L74 PolarHBondContact O-N 2.67Å; F71-I75 HydrophobicContact CD1-CD1 3.92Å; F71-I75 HydrophobicContact CE1-CD1 3.33Å; F71-I75 HydrophobicContact CE1-CG1 4.09Å; F71-I75 HydrophobicContact CZ-CD1 3.72Å; F71-I75 HydrophobicContact CZ-CG1 4.06Å; F71-I75 PolarHBondContact O-N 3.3Å; F71-I75 VanDerWaalsContact O-N 3.15Å; F71-M335 HydrophobicContact CD1-SD 3.51Å; F71-M335 VanDerWaalsContact CD1-SD 3.51Å; F71-M335 HydrophobicContact CD2-SD 4.46Å; F71-M335 HydrophobicContact CE1-SD 3.51Å; F71-M335 VanDerWaalsContact CE1-SD 3.51Å; F71-M335 HydrophobicContact CE2-SD 4.49Å; F71-M335 HydrophobicContact CG-SD 4Å; F71-M335 HydrophobicContact CZ-SD 4.05Å; F71-T338 HydrophobicContact CE1-CG2 4.48Å; F71-T338 HydrophobicContact CE2-CG2 4.33Å; F71-T338 HydrophobicContact CZ-CG2 3.57Å; F71-I339 HydrophobicContact CD2-CD1 4.05Å; F71-I339 HydrophobicContact CD2-CG1 3.75Å; F71-I339 HydrophobicContact CE2-CD1 4.35Å; F71-I339 HydrophobicContact CE2-CG1 3.57Å
72A88.1Confident86.4Confident27 Ų2721.5 Ų21.522%0.22312%0.121CC..Hα-helixtrans-64.7-30.8176.300000112.5V68 M69 V70 L74 I75 E76 F238V68-A72 WeakPolarHBondContact O-CB 2.86Å; V68-A72 PolarHBondContact O-N 3.15Å; M69-A72 PolarHBondContact O-N 3.02Å; V70-A72 PolarHBondContact O-N 2.9Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.86Å; A72-I75 PolarHBondContact O-N 3.36Å; A72-E76 WeakPolarHBondContact O-CB 3.11Å; A72-E76 PolarHBondContact O-N 3.39Å; A72-F238 HydrophobicContact CB-CD1 4.35Å; A72-F238 HydrophobicContact CB-CE1 3.34Å; A72-F238 HydrophobicContact CB-CZ 3.83Å
73S85.9Confident86.4Confident1 Ų123.3 Ų23.31%0.00713%0.131CC..Hα-helixtrans-62.5-33.9170.981.80000113.2F18 M69 V70 F71 Y77F18-S73 VanDerWaalsContact CZ-CB 3.47Å; M69-S73 PolarHBondContact O-N 2.68Å; M69-S73 VanDerWaalsContact O-N 3.15Å; V70-S73 WeakPolarHBondContact O-CB 3.3Å; V70-S73 PolarHBondContact O-N 3.12Å; V70-S73 PolarHBondContact O-OG 3.27Å; F71-S73 VanDerWaalsContact C-N 3.26Å; F71-S73 PolarHBondContact O-N 3.42Å; S73-Y77 PolarHBondContact O-N 2.85Å
74L85.3Confident86.3Confident5 Ų525.2 Ų25.23%0.02614%0.141CC..Hα-helixtrans-72.2-40.6175.4-76.8176.8000112.3V36 V70 F71 A72 E76 Y77 A78 I339V36-L74 HydrophobicContact CG2-CD1 3.59Å; V70-L74 PolarHBondContact O-N 3.5Å; F71-L74 WeakPolarHBondContact O-CB 3.26Å; F71-L74 PolarHBondContact O-N 2.67Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.86Å; L74-E76 VanDerWaalsContact C-N 3.31Å; L74-Y77 PolarHBondContact O-N 2.78Å; L74-A78 PolarHBondContact O-N 3.44Å; L74-I339 HydrophobicContact CD1-CD1 3.88Å; L74-I339 HydrophobicContact CD1-CG1 4.01Å
75I86.3Confident86.2Confident83 Ų8329 Ų2943%0.42616%0.155SC..Hα-helixtrans-62.2-42.8176-70.9175.6000110.5F71 A72 Y77 A78 A79F71-I75 HydrophobicContact CD1-CD1 3.92Å; F71-I75 HydrophobicContact CE1-CD1 3.33Å; F71-I75 HydrophobicContact CE1-CG1 4.09Å; F71-I75 HydrophobicContact CZ-CD1 3.72Å; F71-I75 HydrophobicContact CZ-CG1 4.06Å; F71-I75 PolarHBondContact O-N 3.3Å; F71-I75 VanDerWaalsContact O-N 3.15Å; A72-I75 PolarHBondContact O-N 3.36Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.28Å; I75-A78 WeakPolarHBondContact O-CB 3.2Å; I75-A78 PolarHBondContact O-N 3.16Å; I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 3.31Å
76E86.8Confident86.2Confident11 Ų1131.3 Ų31.35%0.05116%0.163CC..Hα-helixtrans-55.7-50.8175.5-168.9-78.6164.700111.3F18 R28 A72 L74 A78 A79 V80 I230 S234 F238F18-E76 HydrophobicContact CE1-CB 4.12Å; F18-E76 HydrophobicContact CE1-CG 3.96Å; F18-E76 WeakPolarHBondContact CE1-OE2 3.2Å; R28-E76 IonicContact NH2-OE2 3.31Å; R28-E76 PolarHBondContact NH2-OE2 3.37Å; A72-E76 WeakPolarHBondContact O-CB 3.11Å; A72-E76 PolarHBondContact O-N 3.39Å; L74-E76 VanDerWaalsContact C-N 3.31Å; E76-A78 VanDerWaalsContact C-N 3.31Å; E76-A78 PolarHBondContact O-N 3.14Å; E76-A79 PolarHBondContact O-N 2.97Å; E76-V80 WeakPolarHBondContact O-CB 3.29Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.12Å; E76-V80 VanDerWaalsContact OE1-CG2 3.29Å; E76-V80 WeakPolarHBondContact OE1-CG2 3.42Å; E76-I230 HydrophobicContact CG-CG2 4.18Å; E76-S234 WeakPolarHBondContact CG-OG 3.25Å; E76-S234 WeakPolarHBondContact OE1-CB 3.18Å; E76-S234 PolarHBondContact OE1-OG 3.23Å; E76-F238 HydrophobicContact CB-CE2 4.18Å; E76-F238 HydrophobicContact CG-CE2 4.1Å
77Y84.6Confident86.1Confident8 Ų834.3 Ų34.33%0.03118%0.177CC..Hα-helixtrans-57.6-45177.1167.4-100.9000111.9S25 R28 V29 S73 L74 I75 A79 V80 S81 I346S25-Y77 WeakPolarHBondContact CA-OH 3.32Å; S25-Y77 WeakPolarHBondContact CB-OH 3.35Å; S25-Y77 PolarHBondContact O-OH 3.01Å; S25-Y77 PolarHBondContact OG-OH 3.47Å; R28-Y77 HydrophobicContact CB-CD2 4.08Å; R28-Y77 HydrophobicContact CB-CE2 3.94Å; R28-Y77 VanDerWaalsContact NE-CD2 3.34Å; V29-Y77 HydrophobicContact CG2-CD1 3.92Å; V29-Y77 HydrophobicContact CG2-CE1 3.11Å; S73-Y77 PolarHBondContact O-N 2.85Å; L74-Y77 PolarHBondContact O-N 2.78Å; I75-Y77 VanDerWaalsContact C-N 3.34Å; I75-Y77 PolarHBondContact O-N 3.28Å; Y77-A79 PolarHBondContact O-N 3.12Å; Y77-V80 PolarHBondContact O-N 3.23Å; Y77-S81 VanDerWaalsContact O-CB 3.23Å; Y77-S81 WeakPolarHBondContact O-CB 3.31Å; Y77-S81 PolarHBondContact O-N 2.9Å; Y77-I346 HydrophobicContact CE1-CD1 3.8Å; Y77-I346 WeakPolarHBondContact OH-CD1 3.02Å
78A85.4Confident86Confident7 Ų739.7 Ų39.76%0.05820%0.201CC..Hα-helixtrans-60.7-44.9178.200000111.7L74 I75 E76 S81 Y82 V342 W345L74-A78 PolarHBondContact O-N 3.44Å; I75-A78 WeakPolarHBondContact O-CB 3.2Å; I75-A78 PolarHBondContact O-N 3.16Å; E76-A78 VanDerWaalsContact C-N 3.31Å; E76-A78 PolarHBondContact O-N 3.14Å; A78-S81 PolarHBondContact O-N 3.15Å; A78-Y82 WeakPolarHBondContact O-CB 3.12Å; A78-Y82 PolarHBondContact O-N 2.83Å; A78-V342 HydrophobicContact CB-CG1 3.77Å; A78-W345 HydrophobicContact CB-CB 4.18Å
79A85.9Confident85.9Confident37 Ų3740.5 Ų40.531%0.30620%0.201SC..Hα-helixtrans-64.8-45.9178.300000112I75 E76 Y77 Y82 L83I75-A79 WeakPolarHBondContact O-CB 3.03Å; I75-A79 PolarHBondContact O-N 3.31Å; E76-A79 PolarHBondContact O-N 2.97Å; Y77-A79 PolarHBondContact O-N 3.12Å; A79-Y82 PolarHBondContact O-N 3.44Å; A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.03Å
80V86Confident86.1Confident2 Ų245.3 Ų45.31%0.01222%0.218CC..Hα-helixtrans-62.6-45.8176.7168.90000110.7R22 E76 Y77 Y82 L83 N84 P227 I230 D231R22-V80 HydrophobicContact CG-CG1 4.38Å; E76-V80 WeakPolarHBondContact O-CB 3.29Å; E76-V80 WeakPolarHBondContact O-CG2 3.47Å; E76-V80 PolarHBondContact O-N 3.12Å; E76-V80 VanDerWaalsContact OE1-CG2 3.29Å; E76-V80 WeakPolarHBondContact OE1-CG2 3.42Å; Y77-V80 PolarHBondContact O-N 3.23Å; V80-Y82 PolarHBondContact O-N 3.19Å; V80-L83 PolarHBondContact O-N 3.36Å; V80-N84 VanDerWaalsContact CG1-ND2 3.35Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.48Å; V80-N84 WeakPolarHBondContact O-CB 3.36Å; V80-N84 PolarHBondContact O-N 3.31Å; V80-N84 PolarHBondContact O-ND2 3.25Å; V80-P227 HydrophobicContact CG1-CB 4.26Å; V80-I230 HydrophobicContact CG2-CB 4.1Å; V80-I230 HydrophobicContact CG2-CG2 3.8Å; V80-D231 WeakPolarHBondContact CG1-OD2 3.31Å
81S82.9Confident86.2Confident12 Ų1252.1 Ų52.18%0.08424%0.244CC..Hα-helixtrans-59.1-45.1177.4-172.60000111.9Y77 A78 N84 K85Y77-S81 VanDerWaalsContact O-CB 3.23Å; Y77-S81 WeakPolarHBondContact O-CB 3.31Å; Y77-S81 PolarHBondContact O-N 2.9Å; A78-S81 PolarHBondContact O-N 3.15Å; S81-N84 PolarHBondContact O-N 3.24Å; S81-K85 WeakPolarHBondContact O-CB 3.44Å; S81-K85 PolarHBondContact O-N 3.32Å
82Y83.5Confident86.4Confident103 Ų10354.5 Ų54.540%0.40426%0.255SS..Hα-helixtrans-61.5-45.9175.7175.1-105.8000112.6A78 A79 V80 K85 K86 W345A78-Y82 WeakPolarHBondContact O-CB 3.12Å; A78-Y82 PolarHBondContact O-N 2.83Å; A79-Y82 PolarHBondContact O-N 3.44Å; V80-Y82 PolarHBondContact O-N 3.19Å; Y82-K85 PolarHBondContact O-N 3.09Å; Y82-K86 WeakPolarHBondContact O-CB 3.49Å; Y82-K86 PolarHBondContact O-N 3.43Å; Y82-W345 HydrophobicContact CD1-CE3 4.47Å; Y82-W345 HydrophobicContact CD1-CZ3 4.28Å; Y82-W345 HydrophobicContact CD2-CE3 4.08Å; Y82-W345 HydrophobicContact CD2-CZ3 4.38Å; Y82-W345 AromaticContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CZ3 4.2Å
83L86.2Confident86.6Confident38 Ų3859.3 Ų59.320%0.19927%0.273CS..Hα-helixtrans-65.3-41178.4-71.1171000112.2A79 V80 K86 M87 V225 P227 I230A79-L83 VanDerWaalsContact O-CG 3.31Å; A79-L83 WeakPolarHBondContact O-CG 3.34Å; A79-L83 PolarHBondContact O-N 3.03Å; V80-L83 PolarHBondContact O-N 3.36Å; L83-K86 PolarHBondContact O-N 2.89Å; L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 2.87Å; L83-V225 HydrophobicContact CD1-CG1 4.5Å; L83-P227 HydrophobicContact CB-CB 4.38Å; L83-I230 HydrophobicContact CD1-CD1 3.14Å
84N83.5Confident87Confident44 Ų4465.3 Ų65.324%0.23530%0.295CS..Hα-helixtrans-60.2-47.1174.8-70.3-35.6000111.4R22 V80 S81 K86 M87 K88 P227R22-N84 WeakPolarHBondContact CD-ND2 3.38Å; V80-N84 VanDerWaalsContact CG1-ND2 3.35Å; V80-N84 WeakPolarHBondContact CG1-ND2 3.48Å; V80-N84 WeakPolarHBondContact O-CB 3.36Å; V80-N84 PolarHBondContact O-N 3.31Å; V80-N84 PolarHBondContact O-ND2 3.25Å; S81-N84 PolarHBondContact O-N 3.24Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.35Å; N84-M87 PolarHBondContact O-N 2.66Å; N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.85Å; N84-P227 WeakPolarHBondContact OD1-CB 3.19Å; N84-P227 WeakPolarHBondContact OD1-CG 3.29Å
85K84.3Confident87.4Confident85 Ų8570.1 Ų70.137%0.3732%0.318SS..Hα-helixtrans-59.1-45.1176.6-175-178.7178.8-172.70111.3S81 Y82 M87 K88 M89S81-K85 WeakPolarHBondContact O-CB 3.44Å; S81-K85 PolarHBondContact O-N 3.32Å; Y82-K85 PolarHBondContact O-N 3.09Å; K85-M87 VanDerWaalsContact C-N 3.32Å; K85-M87 PolarHBondContact O-N 3.24Å; K85-K88 PolarHBondContact O-N 2.9Å; K85-M89 HydrophobicContact CG-CE 4.34Å; K85-M89 WeakPolarHBondContact O-CG 2.97Å; K85-M89 PolarHBondContact O-N 3.32Å
86K86Confident87.8Confident83 Ų8374.3 Ų74.336%0.36133%0.328SS..Hα-helixtrans-60.7-40.1176.4-172.1173.8-176.9173.70112.1Y82 L83 N84 R90Y82-K86 WeakPolarHBondContact O-CB 3.49Å; Y82-K86 PolarHBondContact O-N 3.43Å; L83-K86 PolarHBondContact O-N 2.89Å; N84-K86 VanDerWaalsContact C-N 3.33Å; N84-K86 PolarHBondContact O-N 3.35Å; K86-R90 WeakPolarHBondContact O-CG 3.39Å; K86-R90 PolarHBondContact O-N 3.39Å
87M86Confident88Confident63 Ų6380 Ų8031%0.3136%0.355SS..Hα-helixtrans-69.5-40.5175.8-72.7-17765.500112.7L83 N84 K85 R90 R91 P227L83-M87 WeakPolarHBondContact O-CG 3.33Å; L83-M87 PolarHBondContact O-N 2.87Å; N84-M87 PolarHBondContact O-N 2.66Å; K85-M87 VanDerWaalsContact C-N 3.32Å; K85-M87 PolarHBondContact O-N 3.24Å; M87-R90 PolarHBondContact O-N 2.75Å; M87-R91 WeakPolarHBondContact O-CG 3.21Å; M87-R91 PolarHBondContact O-N 3.03Å; M87-P227 WeakPolarHBondContact SD-CD 3.35Å; M87-P227 HydrophobicContact SD-CG 3.6Å; M87-P227 VanDerWaalsContact SD-CG 3.6Å
88K87.2Confident88.4Confident115 Ų11585.4 Ų85.450%0.538%0.381SS..Hα-helixtrans-60.4-50.1176.1-175.6179.5175.2-1780111.1N84 K85 R90 R91 E92N84-K88 WeakPolarHBondContact O-CB 3.36Å; N84-K88 PolarHBondContact O-N 2.85Å; K85-K88 PolarHBondContact O-N 2.9Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 PolarHBondContact O-N 3.02Å; K88-R91 WeakPolarHBondContact O-CA 3.44Å; K88-R91 WeakPolarHBondContact O-CB 3.48Å; K88-R91 PolarHBondContact O-N 3.15Å; K88-E92 WeakPolarHBondContact CE-OE1 3.37Å; K88-E92 WeakPolarHBondContact CG-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.02Å; K88-E92 PolarHBondContact O-N 2.8Å
89M86.7Confident88.7Confident91 Ų9191.9 Ų91.945%0.44841%0.407SS..Hα-helixtrans-57.3-39.5175.9-69.2-173.6-62.800112.3K85 E92 Q93K85-M89 HydrophobicContact CG-CE 4.34Å; K85-M89 WeakPolarHBondContact O-CG 2.97Å; K85-M89 PolarHBondContact O-N 3.32Å; M89-E92 PolarHBondContact O-N 2.95Å; M89-Q93 WeakPolarHBondContact O-CG 3.31Å; M89-Q93 PolarHBondContact O-N 3.33Å
90R90.7Very high89Confident120 Ų12094.2 Ų94.245%0.45342%0.417SS..Hα-helixtrans-67.8-32.8175.4-74.5175.5171.5-171.2-2.9113.1K86 M87 K88 R94K86-R90 WeakPolarHBondContact O-CG 3.39Å; K86-R90 PolarHBondContact O-N 3.39Å; M87-R90 PolarHBondContact O-N 2.75Å; K88-R90 VanDerWaalsContact C-N 3.27Å; K88-R90 PolarHBondContact O-N 3.02Å; R90-R94 PolarHBondContact O-N 3.17Å; R90-R94 PolarHBondContact O-NH1 3.27Å
91R91.2Very high89.1Confident142 Ų14298.9 Ų98.954%0.53645%0.446SS..Hα-helixtrans-70.6-44.6174.8-73.3172.5178.6-179.7-0.6110.4M87 K88 Q93 R94 Q95M87-R91 WeakPolarHBondContact O-CG 3.21Å; M87-R91 PolarHBondContact O-N 3.03Å; K88-R91 WeakPolarHBondContact O-CA 3.44Å; K88-R91 WeakPolarHBondContact O-CB 3.48Å; K88-R91 PolarHBondContact O-N 3.15Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 2.66Å; R91-R94 VanDerWaalsContact CG-NH2 3.32Å; R91-R94 PolarHBondContact O-N 3.2Å; R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.28Å
92E91.9Very high89.2Confident67 Ų67106.3 Ų106.331%0.31348%0.479SS..Hα-helixtrans-61.6-39.2176-69.6172.6-169.400112.2K88 M89 Q95 R96K88-E92 WeakPolarHBondContact CE-OE1 3.37Å; K88-E92 WeakPolarHBondContact CG-OE1 3.39Å; K88-E92 WeakPolarHBondContact O-CG 3.02Å; K88-E92 PolarHBondContact O-N 2.8Å; M89-E92 PolarHBondContact O-N 2.95Å; E92-Q95 PolarHBondContact O-N 2.81Å; E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.46Å
93Q93Very high89.2Confident129 Ų129109.3 Ų109.360%0.60350%0.497SS*.Hα-helixtrans-62.4-41.8174.6-77.9176.4-13.300112.6M89 R91 R96 Q97M89-Q93 WeakPolarHBondContact O-CG 3.31Å; M89-Q93 PolarHBondContact O-N 3.33Å; R91-Q93 VanDerWaalsContact C-N 3.33Å; R91-Q93 PolarHBondContact O-N 2.66Å; Q93-R96 PolarHBondContact O-N 3.13Å; Q93-Q97 PolarHBondContact O-N 3.3Å
94R93.5Very high89.1Confident126 Ų126112.4 Ų112.448%0.47552%0.517SS..Hα-helixtrans-65-43.7176-73.2-170.3-65.1-85.85.2111.7R90 R91 R96 Q97 E98R90-R94 PolarHBondContact O-N 3.17Å; R90-R94 PolarHBondContact O-NH1 3.27Å; R91-R94 VanDerWaalsContact CG-NH2 3.32Å; R91-R94 PolarHBondContact O-N 3.2Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.07Å; R94-Q97 WeakPolarHBondContact O-CB 3.35Å; R94-Q97 PolarHBondContact O-N 3.18Å; R94-Q97 VanDerWaalsContact O-N 3.1Å; R94-E98 WeakPolarHBondContact O-CG 3.21Å; R94-E98 PolarHBondContact O-N 3.3Å
95Q93.9Very high88.7Confident107 Ų107118.2 Ų118.250%0.554%0.543SS..Hα-helixtrans-62.5-37175.8-70.6173.3-12.400112.4R91 E92 Q97 E98 K99R91-Q95 WeakPolarHBondContact O-CG 3.33Å; R91-Q95 PolarHBondContact O-N 3.28Å; E92-Q95 PolarHBondContact O-N 2.81Å; Q95-Q97 VanDerWaalsContact C-N 3.35Å; Q95-E98 PolarHBondContact O-N 3.2Å; Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.08Å
96R94.2Very high88Confident170 Ų170119.7 Ų119.764%0.64256%0.561SS**Hα-helixtrans-64.7-40.4173.1-72.7174.7-168.7-164.54.7111.6E92 Q93 R94 K99 V100E92-R96 VanDerWaalsContact O-CG 3.29Å; E92-R96 WeakPolarHBondContact O-CG 3.38Å; E92-R96 PolarHBondContact O-N 3.46Å; Q93-R96 PolarHBondContact O-N 3.13Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.07Å; R96-K99 PolarHBondContact O-N 3.26Å; R96-V100 WeakPolarHBondContact O-CG2 3.17Å; R96-V100 PolarHBondContact O-N 2.97Å; R96-V100 VanDerWaalsContact O-N 3.07Å
97Q92.1Very high87.2Confident131 Ų131122.4 Ų122.461%0.61258%0.579SS**Hα-helixtrans-66.3-41.9177.2-171.3172.86.100111.7Q93 R94 Q95 V100 V101Q93-Q97 PolarHBondContact O-N 3.3Å; R94-Q97 WeakPolarHBondContact O-CB 3.35Å; R94-Q97 PolarHBondContact O-N 3.18Å; R94-Q97 VanDerWaalsContact O-N 3.1Å; Q95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-V100 PolarHBondContact O-N 2.96Å; Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 2.95Å
98E92Very high86.4Confident122 Ų122124.9 Ų124.957%0.5760%0.6SS**Hα-helixtrans-61.2-42.9174.8-72.2161.2-168.700111.5R94 Q95 V100 V101 Q102R94-E98 WeakPolarHBondContact O-CG 3.21Å; R94-E98 PolarHBondContact O-N 3.3Å; Q95-E98 PolarHBondContact O-N 3.2Å; E98-V100 PolarHBondContact O-N 3.04Å; E98-V101 PolarHBondContact O-N 2.89Å; E98-Q102 PolarHBondContact O-N 3.46Å
99K92.3Very high85.5Confident142 Ų142123.6 Ų123.662%0.61761%0.61SS**Hα-helixtrans-62.3-39.6175.4-73.5177.9-177.6-168.40113.2Q95 R96 Q102 Q103Q95-K99 VanDerWaalsContact O-CG 3.28Å; Q95-K99 WeakPolarHBondContact O-CG 3.37Å; Q95-K99 PolarHBondContact O-N 3.08Å; R96-K99 PolarHBondContact O-N 3.26Å; K99-Q102 PolarHBondContact O-N 3.36Å; K99-Q103 PolarHBondContact O-N 3.43Å; K99-Q103 VanDerWaalsContact O-N 3.1Å
100V91Very high84.3Confident86 Ų86124.7 Ų124.752%0.52162%0.624SS.*Hα-helixtrans-66.7-42.2176.1173.10000110.8R96 Q97 E98 Q102 Q103 V104R96-V100 WeakPolarHBondContact O-CG2 3.17Å; R96-V100 PolarHBondContact O-N 2.97Å; R96-V100 VanDerWaalsContact O-N 3.07Å; Q97-V100 PolarHBondContact O-N 2.96Å; E98-V100 PolarHBondContact O-N 3.04Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 2.81Å; V100-Q103 PolarHBondContact O-N 3.25Å; V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 2.85Å; V100-V104 VanDerWaalsContact O-N 3.13Å
101V89.2Confident83Confident101 Ų101124.3 Ų124.361%0.61264%0.637SS**Hα-helixtrans-63.4-36.6176.3173.70000111.6Q97 E98 V104Q97-V101 WeakPolarHBondContact O-CG2 3.44Å; Q97-V101 PolarHBondContact O-N 2.95Å; E98-V101 PolarHBondContact O-N 2.89Å; V101-V104 PolarHBondContact O-N 3.36Å
102Q85.8Confident81.6Confident168 Ų168122.8 Ų122.879%0.78565%0.646SS**Hα-helixtrans-71.7-29.8177.4-165.2173.59.600113.3E98 K99 V100E98-Q102 PolarHBondContact O-N 3.46Å; K99-Q102 PolarHBondContact O-N 3.36Å; V100-Q102 VanDerWaalsContact C-N 3.3Å; V100-Q102 PolarHBondContact O-N 2.81Å
103Q82.4Confident79.6Confident166 Ų166124.7 Ų124.778%0.77667%0.673SS**Hα-helixtrans-76-26.7174-83-176.8-30.800113.4K99 V100 Q105K99-Q103 PolarHBondContact O-N 3.43Å; K99-Q103 VanDerWaalsContact O-N 3.1Å; V100-Q103 PolarHBondContact O-N 3.25Å; Q103-Q105 VanDerWaalsContact C-N 3.3Å; Q103-Q105 PolarHBondContact O-N 3Å
104V84.3Confident77.7Confident103 Ų103123.4 Ų123.462%0.62468%0.678SS**SBendtrans-78.186.3171.5-178.60000107.7V100 V101V100-V104 WeakPolarHBondContact O-CG2 3.32Å; V100-V104 PolarHBondContact O-N 2.85Å; V100-V104 VanDerWaalsContact O-N 3.13Å; V101-V104 PolarHBondContact O-N 3.36Å
105Q74.9Confident75.3Confident166 Ų166126 Ų12678%0.77670%0.696SS**PPolyproline II helixtrans-55.1131.3174.7-158.1157.818.100109Q103 L107Q103-Q105 VanDerWaalsContact C-N 3.3Å; Q103-Q105 PolarHBondContact O-N 3Å; Q105-L107 PolarHBondContact O-N 2.85Å
106P69.1Low72.8Confident115 Ų115125.6 Ų125.675%0.74771%0.711SS**PPolyproline II helixtrans-57.6127.6176.3-19.730.3000108.8
107L69.6Low70.1Confident141 Ų141126.4 Ų126.474%0.73872%0.724SS**PPolyproline II helixtrans-50.4135.6168.7-83.4159.2000108.2Q105 A109 M209Q105-L107 PolarHBondContact O-N 2.85Å; L107-A109 PolarHBondContact O-N 2.92Å; L107-M209 HydrophobicContact CD1-CE 4.28Å
108P69.9Low67.5Low115 Ų115127.5 Ų127.575%0.74773%0.732SS**PPolyproline II helixtrans-53.8135.7175.920.8-29.4000108.6
109A68.8Low64.8Low87 Ų87129.3 Ų129.372%0.71975%0.746SS**PPolyproline II helixtrans-52.7135.9175.900000108.3L107L107-A109 PolarHBondContact O-N 2.92Å
110P59.4Low62.3Low114 Ų114127 Ų12774%0.7475%0.746SS**PPolyproline II helixtrans-54.7137.9170.923.4-30.8000107.7
111P64.6Low59.7Low112 Ų112130.7 Ų130.773%0.72776%0.762SS**PPolyproline II helixtrans-54.4144.7179.822.6-31.8000109A113P111-A113 PolarHBondContact O-N 3.3Å
112P61.3Low56.8Low111 Ų111134.8 Ų134.872%0.72178%0.776SS**PPolyproline II helixtrans-54.6136.9172.625-32.1000107.7S114P112-S114 PolarHBondContact O-N 2.97Å
113A51.2Low54.4Low106 Ų106132.1 Ų132.188%0.87677%0.774SS**  trans-65.380.9167.700000107.7P111P111-A113 PolarHBondContact O-N 3.3Å
114S52.7Low51.9Low102 Ų102131.9 Ų131.971%0.71378%0.777SS**  trans-74.4121.8168.253.40000107P112P112-S114 PolarHBondContact O-N 2.97Å
115E42.6Very low49.3Very low181 Ų181132.2 Ų132.285%0.84678%0.779SS**  trans-45140.9-178.7-71.6144.7144.600112.4M117E115-M117 PolarHBondContact O-N 3.41Å
116A41.1Very low47Very low99 Ų99134.2 Ų134.282%0.81878%0.779SS**  trans-52.3101170.500000109.7I118A116-I118 PolarHBondContact O-N 3.5Å
117M37.3Very low44.9Very low187 Ų187135.6 Ų135.692%0.92178%0.78SS**  trans-80.7103.7173.3-150.1168-168.800106.7E115 D119E115-M117 PolarHBondContact O-N 3.41Å; M117-D119 PolarHBondContact O-N 2.92Å
118I38.7Very low43.1Very low153 Ų153133.1 Ų133.179%0.78578%0.78SS**  trans-60.1116170.8-64.5165.3000106.8A116 P120A116-I118 PolarHBondContact O-N 3.5Å; I118-P120 VanDerWaalsContact O-CD 3.31Å; I118-P120 WeakPolarHBondContact O-CD 3.38Å
119D34.5Very low41.2Very low161 Ų161132.8 Ų132.886%0.86178%0.78SS**  trans-82.6116172-124.6-12.9000108.7M117M117-D119 PolarHBondContact O-N 2.92Å
120P39.5Very low39Very low93 Ų93136.3 Ų136.360%0.60479%0.786SS**  trans-101.5133.2168.933.7-20.4000109.2I118I118-P120 VanDerWaalsContact O-CD 3.31Å; I118-P120 WeakPolarHBondContact O-CD 3.38Å
121L37.4Very low37.6Very low164 Ų164136.4 Ų136.486%0.85979%0.787SS**  trans136.685.3155.9-75.9147.9000111.5
122M28Very low35.7Very low186 Ų186140.2 Ų140.292%0.91679%0.793SS**  trans-119.4109.3145.3-150.8-165.9-62.600107.2L124M122-L124 PolarHBondContact O-N 2.9Å
123P35.2Very low34.2Very low113 Ų113141.8 Ų141.873%0.73480%0.8SS**  trans-81.6113.7172.121.2-11.2000109.1
124L29.8Very low32.9Very low160 Ų160140.7 Ų140.784%0.83879%0.791SS**  trans-61.2139.9159.2-147.1105.5000108.2M122M122-L124 PolarHBondContact O-N 2.9Å
125V29.3Very low31.8Very low110 Ų110142.7 Ų142.767%0.66780%0.799SS**  trans151.8118.2130.8164.80000114.4
126R26.8Very low30.9Very low209 Ų209140.3 Ų140.379%0.78979%0.791SS**  trans68.4124.7137.3-78.8176.3-179.1160.9-1.4123.3
127N26.3Very low30.3Very low143 Ų143146.4 Ų146.477%0.76580%0.795SS**  67.4110.9126.6-61.9-1.3000118.1
128A31.5Very low29.8Very low90 Ų90144 Ų14474%0.74479%0.785SS**  -177.6121.811500000111.8
129S28.7Very low29Very low107 Ų107141.2 Ų141.275%0.74878%0.779SS**  trans41.9114140.855.70000122.4
130L24Very low28.4Very low161 Ų161143.6 Ų143.684%0.84378%0.776SS**  15.7148.5124.6-66.9166.6000119.4
131P30.2Very low27.7Very low117 Ų117145.4 Ų145.476%0.7678%0.781SS**  cis-145.7157.338.239.1-17.7000118.8
132F24.6Very low27Very low192 Ų192146.3 Ų146.384%0.84278%0.781SS**  trans49.1106.6135.2-130.5-95.6000121.1
133V28.1Very low26.9Very low143 Ų143141.7 Ų141.787%0.86777%0.772SS**  -160.8129.8121.2170.70000107.9
134A24.4Very low26.5Very low84 Ų84142.5 Ų142.569%0.69478%0.777SS**  trans-83.6143.4-178.900000112.9
135V29.3Very low26.3Very low144 Ų144143.6 Ų143.687%0.87378%0.778SS**  trans-152.6126.7133.6-177.20000108.8
136N23.5Very low26.1Very low130 Ų130143.4 Ų143.470%0.69578%0.782SS**  trans-53.8143.4172.8-79-37.3000113.4
137Y29.8Very low26.1Very low227 Ų227139.4 Ų139.489%0.8979%0.785SS**  -165.6129.7108.8-98.6-74.8000109.9
138L25.9Very low26.3Very low138 Ų138137.7 Ų137.772%0.72378%0.781SS**  trans-58.5152.3178.9-68.673.8000112
139S22.9Very low26.1Very low94 Ų94138.6 Ų138.666%0.65778%0.782SS**  141.296.6108.7175.20000115
140W21.7Very low25.9Very low211 Ų211144.2 Ų144.280%0.79979%0.787SS**  trans64.3105.6134.3-58.497.1000118.3
141N23.9Very low26Very low130 Ų130142.8 Ų142.870%0.69579%0.789SS**  100.511063.9-99.511.1000113.6
142E23Very low25.8Very low183 Ų183143.3 Ų143.386%0.85579%0.79SS**  45132.5125.8-13187.7-165.300123.2
143A26.3Very low25.8Very low89 Ų89144.9 Ų144.974%0.73679%0.791SS**  trans-72.8170174.100000115.7
144P26.8Very low25.7Very low130 Ų130143 Ų14384%0.84479%0.791SS**  trans-120.7163.7159.235.8-21.9000115.1
145Q25.1Very low25.7Very low183 Ų183145.9 Ų145.986%0.85580%0.8SS**  trans-99.5162.9-161.1-62.2167.1-23.900115.3
146S24.7Very low25.5Very low107 Ų107142.9 Ų142.975%0.74880%0.799SS**  trans89.5128.1137.677.10000122.2
147C26.7Very low25.4Very low125 Ų125145.6 Ų145.685%0.84581%0.809SS**  178163.3128.2-97.90000114.6
148P31.5Very low25.7Very low107 Ų107139.9 Ų139.970%0.69580%0.8SS**  trans-126.9176.9-132.843.9-31.3000118
149S27.5Very low25.7Very low109 Ų109139 Ų13976%0.76280%0.801SS**  trans89.6107.2144.2-65.70000122.6
150R24.7Very low25.7Very low225 Ų225144 Ų14485%0.84981%0.81SS**  74.4106117.5-158.2179.1-162.7-164.54.6119.7
151C25Very low25.8Very low130 Ų130141.4 Ų141.488%0.87881%0.812SS**  trans-141.6137.4151.7-870000111.5
152V26.4Very low26.5Very low129 Ų129139.4 Ų139.478%0.78281%0.807SS**  trans-97.6142.5-160.8168.20000111.2
153Y24Very low26.5Very low224 Ų224139.8 Ų139.888%0.87880%0.801SS**  trans-85.6139.6178.7-75.6-92.2000112.6
154A26.7Very low26.6Very low103 Ų103145.4 Ų145.485%0.85181%0.805SS**  trans-120.1133.9170.600000111.1
155T23.5Very low26.6Very low146 Ų146146.4 Ų146.490%0.89680%0.802SS**  trans-83.9151.7-173.748.40000113.7
156G25.6Very low26.6Very low81 Ų81144.4 Ų144.484%0.83580%0.803SS**  trans170107.6161.200000116.3
157M22.7Very low26.7Very low186 Ų186142.9 Ų142.992%0.91680%0.804SS**  trans-76.9-170.8157.4-55.7-179.1171.600110.3
158P35.4Very low26.8Very low107 Ų107144.3 Ų144.370%0.69581%0.808SS**  cis-138.3-178.8-13.323.92.4000115.6
159T25.1Very low26.5Very low121 Ų121148.7 Ų148.774%0.74282%0.817SS**  trans117.6123.1136.971.50000122
160K23.2Very low26.3Very low197 Ų197150.5 Ų150.586%0.85782%0.817SS**  trans81.8103.7145.3-73.3177.1-179.7-178.80122.4
161N23.9Very low26.4Very low157 Ų157146.9 Ų146.984%0.8481%0.813SS**  39.9163.6125.5-87.710000122.4
162P38.2Very low26.8Very low89 Ų89146.5 Ų146.558%0.57881%0.81SS**  cis-136.6174.2-22.327.6-4000115.2
163Y24.7Very low26.6Very low191 Ų191150.3 Ų150.375%0.74981%0.81SS**  trans107.6120.9156.7-65.9-74.5000121.2
164Y27.7Very low26.7Very low206 Ų206149.8 Ų149.881%0.80881%0.808SS**  trans74.2104.1167.7-55.9-75.8000117.7
165L26.9Very low26.5Very low151 Ų151151.8 Ų151.879%0.79180%0.799SS**  8298.662-163.794.3000112.8
166T25.2Very low26.6Very low142 Ų142150.9 Ų150.987%0.87179%0.789SS**  171.3128.6125.537.40000109.4
167G25.4Very low26.6Very low74 Ų74154.1 Ų154.176%0.76379%0.787SS**  trans-90.6166.4-16100000117.1
168V30.2Very low26.7Very low155 Ų155149.7 Ų149.794%0.93978%0.78SS**  trans-141.9147.7148.6-1780000107.9
169K25.3Very low26.2Very low200 Ų200147.9 Ų147.987%0.8778%0.781SS**  trans-66.9162.5-160.7-113.4162.8168174.80117.3
170L23.5Very low26.2Very low146 Ų146149.9 Ų149.976%0.76478%0.782SS**  trans-72.5155.4-178.8-7596.3000117.5
171L26.3Very low26.2Very low149 Ų149147.3 Ų147.378%0.7877%0.773SS**  trans73.3157.5141.1-75.3160.1000120.7
172P33.8Very low26.3Very low123 Ų123147.8 Ų147.880%0.79977%0.773SS**  cis-134.2-172.8-1.733.4-9.9000117.3
173R21.6Very low25.6Very low208 Ų208146.7 Ų146.779%0.78578%0.778SS**  trans-112.3149.4-166.1171-170.3-162.5172.85.3112.4
174Y25.2Very low25.7Very low214 Ų214142.2 Ų142.284%0.83978%0.781SS**  trans172.4117.1146.4-94.6-73.8000109.7
175Q22.4Very low25.6Very low144 Ų144139.6 Ų139.667%0.67378%0.779SS**  55141.780.7-73.4-165.2-94.700115.9
176L27.1Very low25.5Very low128 Ų128138.2 Ų138.267%0.6778%0.777SS**  cis-171.5174.9-7.3-136.2133.4000109.8
177D25.8Very low25.5Very low148 Ų148136.7 Ų136.779%0.79177%0.772SS**  trans86.7150.4159.8-61.4-32.6000121.2
178A24.7Very low25.4Very low93 Ų93142 Ų14277%0.76978%0.777SS**  cis-179144-30.300000109.3
179G24.6Very low25.2Very low70 Ų70140.7 Ų140.772%0.72277%0.774SS**  trans85.2153.2158.400000118.4
180Q24.5Very low25.2Very low162 Ų162140.1 Ų140.176%0.75778%0.775SS**  cis-175.6126.25.7-169.189.812.600108.1
181H24.1Very low26.6Very low144 Ų144137.8 Ų137.867%0.66777%0.769SS**  trans64142.1132.8-75.1-102.3000128.6
182I24.2Very low26.8Very low166 Ų166136 Ų13685%0.85177%0.766SS**  trans77.2130.9145.9-56.8144.7000117.2
183G24.5Very low26.5Very low66 Ų66138.3 Ų138.368%0.6877%0.771SS**  cis166.7151.71.900000110.9
184A25.7Very low26.5Very low98 Ų98139.3 Ų139.381%0.8178%0.775SS**  trans49.9146.2144.500000120.1
185I26.7Very low26.8Very low151 Ų151134.6 Ų134.677%0.77477%0.77SS**  -172.9144.356.8-74.8179.3000110.1
186T23.9Very low27.1Very low121 Ų121136 Ų13674%0.74278%0.777SS**  trans-9.5149.8159.563.60000124
187S25.3Very low26.9Very low110 Ų110134.8 Ų134.877%0.76978%0.778SS**  176126.7105.262.90000116
188H23.9Very low27.1Very low185 Ų185137.2 Ų137.286%0.85678%0.784SS**  trans21.3128.7144.9-76.4-83.2000124.9
189S27.3Very low27.2Very low128 Ų128138.3 Ų138.390%0.89579%0.785SS**  152.3159.5111.258.30000113.2
190Q25Very low27.6Very low188 Ų188144.6 Ų144.688%0.87980%0.795SS**  trans-116.6-167.5-141.9-148.8-167.9-29.900113.4
191P51.7Low27.8Very low97 Ų97144.2 Ų144.263%0.6380%0.795SS**  -106.6-178-114.644-26.6000115
192P30Very low28.4Very low112 Ų112143.3 Ų143.373%0.72780%0.796SS**  -157.6158.893.337.4-15.7000119.1
193L28Very low29.2Very low171 Ų171144.9 Ų144.990%0.89580%0.799SS**  trans69123.7141.9-66160.6000124.3
194R22.5Very low30Very low230 Ų230147.8 Ų147.887%0.86880%0.803SS**  trans-54.6157.7171.1-74.6-176.8-175.5-1732115.1
195P31.5Very low30.8Very low115 Ų115150.7 Ų150.775%0.74781%0.805SS**  -14015293.534.1-17.2000116.4
196E27.9Very low31.5Very low174 Ų174148.5 Ų148.581%0.81380%0.803SS**  trans62.5132149-99.952-150.800124.8
197C24.1Very low32.3Very low102 Ų102150.2 Ų150.269%0.68981%0.806SS**  trans-94.2129.7-173.1-57.60000111.6
198E29.7Very low33.1Very low199 Ų199150.3 Ų150.393%0.9380%0.804SS**  trans-118.494.7153.4-96.4155.4151.300108.4E200E198-E200 PolarHBondContact O-N 3.42Å
199C25.9Very low34Very low115 Ų115149.6 Ų149.678%0.77780%0.803SS**  trans-71.8102.2168.7-61.60000108.1M201C199-M201 VanDerWaalsContact C-N 3.29Å; C199-M201 PolarHBondContact O-N 2.91Å
200E33.3Very low34.8Very low202 Ų202154.4 Ų154.494%0.94480%0.801SS**  trans-72.492.4168.1-149.3172.5143.700108.7E198E198-E200 PolarHBondContact O-N 3.42Å
201M29.2Very low35.6Very low154 Ų154153.7 Ų153.776%0.75980%0.8SS**  trans-75.2133.3178.2-179.1141.66300110.1C199C199-M201 VanDerWaalsContact C-N 3.29Å; C199-M201 PolarHBondContact O-N 2.91Å
202N37.5Very low35.8Very low126 Ų126154.8 Ų154.867%0.67481%0.805SS**  trans109.964.6159.7-54.9-37.3000117.1V204N202-V204 HydrophobicContact CB-CG2 4.23Å; N202-V204 PolarHBondContact O-N 3.28Å
203Q39.8Very low37Very low199 Ų199155.1 Ų155.193%0.9381%0.805SS**  trans-62.394.3133.6-94.4-178.2-13.100107.5L205Q203-L205 PolarHBondContact O-N 3.4Å
204V40.8Very low37.9Very low126 Ų126156 Ų15676%0.76480%0.801SS**  trans-62.2102.7169.8179.10000106.9N202 S206N202-V204 HydrophobicContact CB-CG2 4.23Å; N202-V204 PolarHBondContact O-N 3.28Å; V204-S206 PolarHBondContact O-N 2.96Å
205L42.5Very low39.2Very low159 Ų159149.9 Ų149.983%0.83279%0.792SS**  trans-52115.2172-166.377.4000107.7Q203 I207Q203-L205 PolarHBondContact O-N 3.4Å; L205-I207 PolarHBondContact O-N 2.81Å
206S41.9Very low40Very low106 Ų106156.3 Ų156.374%0.74180%0.801SS**  trans-62.7108.3-177.842.10000109.5V204 P208V204-S206 PolarHBondContact O-N 2.96Å; S206-P208 WeakPolarHBondContact O-CD 3.39Å
207I41.2Very low41.1Very low157 Ų157158.7 Ų158.781%0.80580%0.803SS**  trans-62.7120.2169.5-58.2166.5000106.2L205 M209L205-I207 PolarHBondContact O-N 2.81Å; I207-M209 PolarHBondContact O-N 3.44Å
208P41.5Very low42.3Very low112 Ų112165 Ų16573%0.72781%0.812SS**  trans-60.7129.6-175.221.7-31.4000110.2S206 R210S206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-R210 PolarHBondContact O-N 2.74Å
209M42.4Very low43.2Very low170 Ų170166.1 Ų166.184%0.83781%0.808SS**  trans-59103.5174.5-87.6-169.6-89.200109.4L107 I207 M211L107-M209 HydrophobicContact CD1-CE 4.28Å; I207-M209 PolarHBondContact O-N 3.44Å; M209-M211 PolarHBondContact O-N 3.49Å; M209-M211 VanDerWaalsContact O-N 3.09Å
210R43.9Very low44Very low228 Ų228168.9 Ų168.986%0.8681%0.809SS**  trans-66.4109.4166.1-167.3176.9-162.9171.96.1106.9P208 V212P208-R210 PolarHBondContact O-N 2.74Å; R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 3.15Å
211M43.2Very low44.7Very low174 Ų174170.9 Ų170.986%0.85781%0.808SS**  trans-54.6102.6164.3-79.8-170-173.100107.4M209 T213M209-M211 PolarHBondContact O-N 3.49Å; M209-M211 VanDerWaalsContact O-N 3.09Å; M211-T213 PolarHBondContact O-N 3.48Å
212V55.6Low45.7Very low119 Ų119170.4 Ų170.472%0.72181%0.807SS**  trans-71.289.2166.2-178.40000105.1R210 K214R210-V212 VanDerWaalsContact C-N 3.32Å; R210-V212 PolarHBondContact O-N 3.15Å; V212-K214 PolarHBondContact O-N 3.3Å; V212-K214 VanDerWaalsContact O-N 3.07Å
213T54.4Low46.5Very low119 Ų119171.2 Ų171.273%0.7381%0.807SS**PPolyproline II helixtrans-52.1119.9163.245.50000106.1M211M211-T213 PolarHBondContact O-N 3.48Å
214K46.9Very low47.4Very low189 Ų189167.3 Ų167.382%0.82279%0.792SS**PPolyproline II helixtrans-48.2123.7-179.4-73.6176.7-179.5170.20107V212 R216V212-K214 PolarHBondContact O-N 3.3Å; V212-K214 VanDerWaalsContact O-N 3.07Å; K214-R216 PolarHBondContact O-N 2.92Å
215P50.1Low48.8Very low103 Ų103164.3 Ų164.367%0.66977%0.774SS**PPolyproline II helixtrans-55.5121.6176.120.2-29.7000106.5R217P215-R217 PolarHBondContact O-N 3.05Å
216R48Very low50.4Low250 Ų250159.4 Ų159.494%0.94375%0.751SS**  trans-62.984.7176.8-171.7178.3167.5167.1-2.8106.1K214 R218K214-R216 PolarHBondContact O-N 2.92Å; R216-R218 PolarHBondContact O-N 3.39Å
217R52Low52.2Low223 Ų223154.8 Ų154.884%0.84272%0.718SS**  trans-57.2109.1-179.2-79.9-173.1178.4178.20.3106.4P215 R219P215-R217 PolarHBondContact O-N 3.05Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.44Å
218R49.2Very low53.9Low235 Ų235149.7 Ų149.789%0.88770%0.696SS**  trans-49.4106.3160.9-87-177.7172.8-178.8-1.6105.2R216 H220R216-R218 PolarHBondContact O-N 3.39Å; R218-H220 PolarHBondContact O-N 2.97Å
219R48.9Very low55.8Low223 Ų223145.5 Ų145.584%0.84267%0.67SS**  trans-64.496168.1-77.9-174.8-177.8-162.63.2104.7R217 R221R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 PolarHBondContact O-N 3.44Å; R219-R221 PolarHBondContact O-N 3.28Å
220H42.4Very low57.8Low172 Ų172139.2 Ų139.280%0.79664%0.639SS**  trans-50.8118.6152.9-94.8-90.5000105R218 L222R218-H220 PolarHBondContact O-N 2.97Å; H220-L222 PolarHBondContact O-N 2.94Å
221R47.3Very low59.5Low245 Ų245128.5 Ų128.593%0.92560%0.599SS**  trans-67.553.7168.7-74.1-167-93.7-140-2.5108.8R219 H223R219-R221 PolarHBondContact O-N 3.28Å; R221-H223 VanDerWaalsContact C-N 3.26Å; R221-H223 PolarHBondContact O-N 2.81Å
222L51.1Low61.3Low143 Ų143127.4 Ų127.475%0.74959%0.59SS**  trans-62.8106.1156.8-162.375.9000103.1H220 N224H220-L222 PolarHBondContact O-N 2.94Å; L222-N224 PolarHBondContact O-N 2.86Å
223H52.9Low62.6Low144 Ų144130 Ų13067%0.66759%0.588SS**  trans-38.1102.6-179.3-176-75.7000107.9R221 V225R221-H223 VanDerWaalsContact C-N 3.26Å; R221-H223 PolarHBondContact O-N 2.81Å; H223-V225 WeakPolarHBondContact ND1-CG2 2.97Å; H223-V225 PolarHBondContact O-N 2.86Å
224N59.3Low64Low117 Ų117124.7 Ų124.763%0.62656%0.555SS**  trans-72.382.7177.1-88.1-27.7000104.3L222 T226L222-N224 PolarHBondContact O-N 2.86Å; N224-T226 PolarHBondContact O-N 2.84Å
225V71Confident65.6Low63 Ų63120.8 Ų120.838%0.38254%0.536SS..  trans-58108.5172.6-175.40000105.1L83 H223 I230L83-V225 HydrophobicContact CD1-CG1 4.5Å; H223-V225 WeakPolarHBondContact ND1-CG2 2.97Å; H223-V225 PolarHBondContact O-N 2.86Å; V225-I230 HydrophobicContact CG1-CD1 3.48Å; V225-I230 VanDerWaalsContact CG1-CD1 3.48Å; V225-I230 HydrophobicContact CG1-CG1 3.48Å; V225-I230 VanDerWaalsContact CG1-CG1 3.48Å
226T76.2Confident67.1Low56 Ų56121.6 Ų121.634%0.34453%0.534SS..  trans-79.6143.2175.556.90000107.3N224 S228 S229 I230N224-T226 PolarHBondContact O-N 2.84Å; T226-S228 WeakPolarHBondContact CB-OG 3.03Å; T226-S228 PolarHBondContact O-N 3.06Å; T226-S228 VanDerWaalsContact O-N 3.12Å; T226-S228 PolarHBondContact OG1-OG 3.48Å; T226-S229 PolarHBondContact N-OG 2.77Å; T226-S229 PolarHBondContact O-N 3.49Å; T226-S229 PolarHBondContact O-OG 3.3Å; T226-S229 PolarHBondContact OG1-N 3.27Å; T226-S229 PolarHBondContact OG1-OG 3.02Å; T226-I230 PolarHBondContact O-N 2.83Å
227P78.2Confident68.8Low9 Ų9113.7 Ų113.76%0.05851%0.51CS..Hα-helixtrans-54.2-34172.922.9-33.4000110.6V80 L83 N84 M87 S229 I230 D231V80-P227 HydrophobicContact CG1-CB 4.26Å; L83-P227 HydrophobicContact CB-CB 4.38Å; N84-P227 WeakPolarHBondContact OD1-CB 3.19Å; N84-P227 WeakPolarHBondContact OD1-CG 3.29Å; M87-P227 WeakPolarHBondContact SD-CD 3.35Å; M87-P227 HydrophobicContact SD-CG 3.6Å; M87-P227 VanDerWaalsContact SD-CG 3.6Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-S229 PolarHBondContact O-N 3.44Å; P227-I230 PolarHBondContact O-N 3.22Å; P227-D231 PolarHBondContact O-N 3.06Å; P227-D231 VanDerWaalsContact O-N 3.12Å
228S78.4Confident70.3Confident49 Ų49104.1 Ų104.134%0.34347%0.474SS..Hα-helixtrans-64.9-27.9174.459.50000115.5T226 K232T226-S228 WeakPolarHBondContact CB-OG 3.03Å; T226-S228 PolarHBondContact O-N 3.06Å; T226-S228 VanDerWaalsContact O-N 3.12Å; T226-S228 PolarHBondContact OG1-OG 3.48Å; S228-K232 WeakPolarHBondContact O-CD 3.32Å; S228-K232 WeakPolarHBondContact O-CG 3.2Å; S228-K232 PolarHBondContact O-N 3.32Å
229S81.5Confident71.9Confident25 Ų2594.2 Ų94.218%0.17544%0.44CS..Hα-helixtrans-75.7-40.7175.361.30000110.3T226 P227 K232 Y233T226-S229 PolarHBondContact N-OG 2.77Å; T226-S229 PolarHBondContact O-N 3.49Å; T226-S229 PolarHBondContact O-OG 3.3Å; T226-S229 PolarHBondContact OG1-N 3.27Å; T226-S229 PolarHBondContact OG1-OG 3.02Å; P227-S229 VanDerWaalsContact C-N 3.35Å; P227-S229 PolarHBondContact O-N 3.44Å; S229-K232 WeakPolarHBondContact O-CB 3.07Å; S229-K232 PolarHBondContact O-N 3.02Å; S229-Y233 WeakPolarHBondContact O-CD2 3.49Å; S229-Y233 PolarHBondContact O-N 2.81Å
230I83.2Confident73.5Confident37 Ų3787.5 Ų87.519%0.1942%0.421CS..Hα-helixtrans-60.2-55.7177.9-63162.9000109.9E76 V80 L83 V225 T226 P227 K232 Y233 S234E76-I230 HydrophobicContact CG-CG2 4.18Å; V80-I230 HydrophobicContact CG2-CB 4.1Å; V80-I230 HydrophobicContact CG2-CG2 3.8Å; L83-I230 HydrophobicContact CD1-CD1 3.14Å; V225-I230 HydrophobicContact CG1-CD1 3.48Å; V225-I230 VanDerWaalsContact CG1-CD1 3.48Å; V225-I230 HydrophobicContact CG1-CG1 3.48Å; V225-I230 VanDerWaalsContact CG1-CG1 3.48Å; T226-I230 PolarHBondContact O-N 2.83Å; P227-I230 PolarHBondContact O-N 3.22Å; I230-K232 PolarHBondContact O-N 3.47Å; I230-K232 VanDerWaalsContact O-N 3.09Å; I230-Y233 PolarHBondContact O-N 2.9Å; I230-S234 PolarHBondContact O-N 3.15Å; I230-S234 PolarHBondContact O-OG 3.34Å
231D78.8Confident75.5Confident3 Ų382.7 Ų82.72%0.01640%0.401CS..Hα-helixtrans-56.7-33.5-179.5-71.2-81.7000112.2R22 R28 V80 P227 R235R22-D231 IonicContact CZ-OD2 3.08Å; R22-D231 IonicContact NE-OD2 2.71Å; R22-D231 PolarHBondContact NE-OD2 3.43Å; R22-D231 IonicContact NH2-OD2 2.64Å; R22-D231 PolarHBondContact NH2-OD2 3.43Å; R28-D231 IonicContact NH1-OD1 3.94Å; V80-D231 WeakPolarHBondContact CG1-OD2 3.31Å; P227-D231 PolarHBondContact O-N 3.06Å; P227-D231 VanDerWaalsContact O-N 3.12Å; D231-R235 WeakPolarHBondContact O-CB 3.19Å; D231-R235 WeakPolarHBondContact O-CD 3.47Å; D231-R235 WeakPolarHBondContact O-CG 3.47Å; D231-R235 PolarHBondContact O-N 3.34Å; D231-R235 VanDerWaalsContact O-N 3.1Å
232K81.6Confident77.1Confident152 Ų15271.3 Ų71.366%0.66136%0.358SS*.Hα-helixtrans-66-44.9175.6-77.2175-176.6-168.90112.1S228 S229 I230S228-K232 WeakPolarHBondContact O-CD 3.32Å; S228-K232 WeakPolarHBondContact O-CG 3.2Å; S228-K232 PolarHBondContact O-N 3.32Å; S229-K232 WeakPolarHBondContact O-CB 3.07Å; S229-K232 PolarHBondContact O-N 3.02Å; I230-K232 PolarHBondContact O-N 3.47Å; I230-K232 VanDerWaalsContact O-N 3.09Å
233Y82.5Confident78.7Confident172 Ų17270.9 Ų70.968%0.67535%0.35SS*.Hα-helixtrans-66.6-44.7175.7-75.2-69.3000111.1S229 I230 R235 L236 L237S229-Y233 WeakPolarHBondContact O-CD2 3.49Å; S229-Y233 PolarHBondContact O-N 2.81Å; I230-Y233 PolarHBondContact O-N 2.9Å; Y233-R235 VanDerWaalsContact C-N 3.26Å; Y233-R235 PolarHBondContact O-N 3.47Å; Y233-L236 PolarHBondContact O-N 3.35Å; Y233-L236 VanDerWaalsContact O-N 3.08Å; Y233-L237 WeakPolarHBondContact O-CB 3.39Å; Y233-L237 PolarHBondContact O-N 3.47Å
234S84.2Confident80.2Confident8 Ų868.1 Ų68.16%0.05634%0.339CS..Hα-helixtrans-55.8-40.4178.9-51.60000112.4E76 I230 L236 F238E76-S234 WeakPolarHBondContact CG-OG 3.25Å; E76-S234 WeakPolarHBondContact OE1-CB 3.18Å; E76-S234 PolarHBondContact OE1-OG 3.23Å; I230-S234 PolarHBondContact O-N 3.15Å; I230-S234 PolarHBondContact O-OG 3.34Å; S234-L236 PolarHBondContact O-N 2.59Å; S234-F238 VanDerWaalsContact O-CD2 3.32Å; S234-F238 WeakPolarHBondContact O-CD2 3.11Å; S234-F238 PolarHBondContact O-N 3.05Å
235R81.1Confident81.3Confident107 Ų10764.6 Ų64.640%0.40432%0.319SS..Hα-helixtrans-62.5-25178.7-76.5166.9-174.2-156.6-3.9114.6F18 D231 Y233 P239F18-R235 HydrophobicContact CB-CG 4.28Å; F18-R235 PolarHBondContact O-NH2 3.07Å; F18-R235 VanDerWaalsContact O-NH2 3.13Å; D231-R235 WeakPolarHBondContact O-CB 3.19Å; D231-R235 WeakPolarHBondContact O-CD 3.47Å; D231-R235 WeakPolarHBondContact O-CG 3.47Å; D231-R235 PolarHBondContact O-N 3.34Å; D231-R235 VanDerWaalsContact O-N 3.1Å; Y233-R235 VanDerWaalsContact C-N 3.26Å; Y233-R235 PolarHBondContact O-N 3.47Å; R235-P239 WeakPolarHBondContact O-CD 3.45Å; R235-P239 WeakPolarHBondContact O-CG 3.49Å
236L80.6Confident81.7Confident120 Ų12062.1 Ų62.163%0.62830%0.303SS*.Hα-helixtrans-103.8-45.1177.6-176.664.4000111.6Y233 S234 P239 L240Y233-L236 PolarHBondContact O-N 3.35Å; Y233-L236 VanDerWaalsContact O-N 3.08Å; S234-L236 PolarHBondContact O-N 2.59Å; L236-P239 WeakPolarHBondContact O-CD 3.39Å; L236-L240 WeakPolarHBondContact O-CB 3.24Å; L236-L240 PolarHBondContact O-N 2.87Å
237L84.7Confident81.9Confident85 Ų8560.9 Ų60.945%0.44530%0.301SS..Hα-helixtrans-63.8-45.5-172.7-176.9137.6000111.9Y233 L241Y233-L237 WeakPolarHBondContact O-CB 3.39Å; Y233-L237 PolarHBondContact O-N 3.47Å; L237-L241 HydrophobicContact CD2-CD1 3.52Å; L237-L241 HydrophobicContact CD2-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.37Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 2.87Å
238F83Confident82.1Confident22 Ų2265 Ų6510%0.09632%0.322CS..Hα-helixtrans-66.8-49.7-179.2-72.5-66.8000112.8F18 M69 A72 E76 S234 L240 L241 F242F18-F238 HydrophobicContact CE1-CD2 4.28Å; F18-F238 HydrophobicContact CE1-CE2 4.41Å; F18-F238 HydrophobicContact CE2-CB 4.05Å; F18-F238 AromaticContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CD2 3.78Å; F18-F238 HydrophobicContact CE2-CG 4.15Å; F18-F238 HydrophobicContact CZ-CB 4.44Å; F18-F238 AromaticContact CZ-CD2 3.41Å; F18-F238 HydrophobicContact CZ-CD2 3.41Å; F18-F238 VanDerWaalsContact CZ-CD2 3.41Å; F18-F238 AromaticContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CE2 3.86Å; F18-F238 HydrophobicContact CZ-CG 4.03Å; M69-F238 HydrophobicContact SD-CD1 4.4Å; A72-F238 HydrophobicContact CB-CD1 4.35Å; A72-F238 HydrophobicContact CB-CE1 3.34Å; A72-F238 HydrophobicContact CB-CZ 3.83Å; E76-F238 HydrophobicContact CB-CE2 4.18Å; E76-F238 HydrophobicContact CG-CE2 4.1Å; S234-F238 VanDerWaalsContact O-CD2 3.32Å; S234-F238 WeakPolarHBondContact O-CD2 3.11Å; S234-F238 PolarHBondContact O-N 3.05Å; F238-L240 PolarHBondContact O-N 3.34Å; F238-L241 PolarHBondContact O-N 2.84Å; F238-F242 PolarHBondContact O-N 2.76Å; F238-F242 VanDerWaalsContact O-N 3.08Å
239P83.3Confident82Confident26 Ų2663.4 Ų63.417%0.16931%0.309CS..Hα-helixtrans-61-43175.3-25.836.2000113.6W15 R235 L236 F242 F243W15-P239 HydrophobicContact CD2-CG 3.96Å; W15-P239 HydrophobicContact CE3-CB 4Å; W15-P239 HydrophobicContact CE3-CG 3.71Å; W15-P239 HydrophobicContact CH2-CB 3.76Å; W15-P239 HydrophobicContact CH2-CG 4.24Å; W15-P239 HydrophobicContact CZ2-CB 4.28Å; W15-P239 HydrophobicContact CZ2-CG 4.44Å; W15-P239 HydrophobicContact CZ3-CB 3.57Å; W15-P239 HydrophobicContact CZ3-CG 3.85Å; R235-P239 WeakPolarHBondContact O-CD 3.45Å; R235-P239 WeakPolarHBondContact O-CG 3.49Å; L236-P239 WeakPolarHBondContact O-CD 3.39Å; P239-F242 WeakPolarHBondContact O-CB 3.25Å; P239-F242 PolarHBondContact O-N 2.73Å; P239-F243 HydrophobicContact CB-CE2 4.42Å; P239-F243 WeakPolarHBondContact O-CD2 3.46Å; P239-F243 PolarHBondContact O-N 3.25Å
240L82.7Confident81.8Confident82 Ų8267.4 Ų67.443%0.42932%0.32SS..Hα-helixtrans-62.9-45.4179.5-179.7138.6000111.4L236 F238 F242 F243 I244L236-L240 WeakPolarHBondContact O-CB 3.24Å; L236-L240 PolarHBondContact O-N 2.87Å; F238-L240 PolarHBondContact O-N 3.34Å; L240-F242 PolarHBondContact O-N 3.19Å; L240-F243 PolarHBondContact O-N 3.44Å; L240-I244 HydrophobicContact CD2-CD1 3.36Å; L240-I244 HydrophobicContact CD2-CG1 4.41Å; L240-I244 HydrophobicContact CG-CD1 3.79Å; L240-I244 HydrophobicContact CG-CG1 4.43Å; L240-I244 WeakPolarHBondContact O-CB 3.18Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 2.88Å
241L83.1Confident81.5Confident72 Ų7270.7 Ų70.738%0.37734%0.337SS..Hα-helixtrans-61.3-36176-73.3174.5000111.9M69 L237 F238 F245M69-L241 HydrophobicContact CE-CB 3.45Å; M69-L241 VanDerWaalsContact CE-CB 3.45Å; M69-L241 HydrophobicContact CE-CD1 4.45Å; M69-L241 HydrophobicContact SD-CB 4.27Å; L237-L241 HydrophobicContact CD2-CD1 3.52Å; L237-L241 HydrophobicContact CD2-CG 4.42Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.37Å; L237-L241 VanDerWaalsContact O-CB 3.3Å; L237-L241 WeakPolarHBondContact O-CB 3.41Å; L237-L241 WeakPolarHBondContact O-CG 3.43Å; L237-L241 PolarHBondContact O-N 2.87Å; F238-L241 PolarHBondContact O-N 2.84Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.35Å
242F82.7Confident81.2Confident5 Ų573.6 Ų73.62%0.02236%0.355CS..Hα-helixtrans-70.1-45.2176.8178.7-98.3000113M8 V11 W15 F238 P239 L240 I244 F245 N246M8-F242 HydrophobicContact CB-CZ 4.42Å; M8-F242 HydrophobicContact CG-CZ 4.39Å; M8-F242 HydrophobicContact SD-CE1 3.75Å; M8-F242 HydrophobicContact SD-CE2 4.07Å; M8-F242 HydrophobicContact SD-CZ 3.18Å; M8-F242 WeakPolarHBondContact SD-CZ 3.49Å; V11-F242 HydrophobicContact CB-CD2 4.37Å; V11-F242 HydrophobicContact CB-CE2 3.78Å; V11-F242 HydrophobicContact CB-CZ 4.12Å; V11-F242 HydrophobicContact CG1-CD2 3.61Å; V11-F242 HydrophobicContact CG1-CE2 3.53Å; V11-F242 HydrophobicContact CG1-CG 4.24Å; V11-F242 HydrophobicContact CG1-CZ 4.09Å; V11-F242 HydrophobicContact CG2-CE2 3.92Å; W15-F242 HydrophobicContact CH2-CB 3.73Å; W15-F242 AromaticContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CD1 3.54Å; W15-F242 HydrophobicContact CH2-CE1 4.24Å; W15-F242 AromaticContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CH2-CG 3.79Å; W15-F242 HydrophobicContact CZ2-CB 3.45Å; W15-F242 VanDerWaalsContact CZ2-CB 3.45Å; W15-F242 AromaticContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD1 3.92Å; W15-F242 HydrophobicContact CZ2-CD2 4.35Å; W15-F242 AromaticContact CZ2-CG 3.68Å; W15-F242 HydrophobicContact CZ2-CG 3.68Å; F238-F242 PolarHBondContact O-N 2.76Å; F238-F242 VanDerWaalsContact O-N 3.08Å; P239-F242 WeakPolarHBondContact O-CB 3.25Å; P239-F242 PolarHBondContact O-N 2.73Å; L240-F242 PolarHBondContact O-N 3.19Å; F242-I244 VanDerWaalsContact C-N 3.35Å; F242-F245 PolarHBondContact O-N 3.26Å; F242-N246 VanDerWaalsContact CD1-ND2 3.32Å; F242-N246 WeakPolarHBondContact CD1-ND2 3.42Å; F242-N246 WeakPolarHBondContact CD2-ND2 3.15Å; F242-N246 VanDerWaalsContact CE1-ND2 3.25Å; F242-N246 WeakPolarHBondContact CE1-ND2 3.39Å; F242-N246 WeakPolarHBondContact CE2-ND2 3.36Å; F242-N246 WeakPolarHBondContact CG-ND2 3.34Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.43Å; F242-N246 VanDerWaalsContact O-CB 3.26Å; F242-N246 WeakPolarHBondContact O-CB 3.42Å; F242-N246 PolarHBondContact O-N 2.59Å; F242-N246 PolarHBondContact O-ND2 3.08Å
243F82.9Confident80.7Confident134 Ų13469 Ų6959%0.58834%0.336SS*.Hα-helixtrans-67.9-36.1177.1-73.8-66.4000112W15 P239 L240 G247W15-F243 HydrophobicContact CH2-CE2 4.35Å; W15-F243 HydrophobicContact CZ3-CE2 4.3Å; P239-F243 HydrophobicContact CB-CE2 4.42Å; P239-F243 WeakPolarHBondContact O-CD2 3.46Å; P239-F243 PolarHBondContact O-N 3.25Å; L240-F243 PolarHBondContact O-N 3.44Å; F243-G247 WeakPolarHBondContact O-CA 3.47Å; F243-G247 PolarHBondContact O-N 3.5Å
244I85.4Confident80.1Confident87 Ų8765.7 Ų65.745%0.44633%0.326SS..Hα-helixtrans-63.9-49.9172.4-70.8174.5000110L240 F242 G247 I248L240-I244 HydrophobicContact CD2-CD1 3.36Å; L240-I244 HydrophobicContact CD2-CG1 4.41Å; L240-I244 HydrophobicContact CG-CD1 3.79Å; L240-I244 HydrophobicContact CG-CG1 4.43Å; L240-I244 WeakPolarHBondContact O-CB 3.18Å; L240-I244 WeakPolarHBondContact O-CG1 3.44Å; L240-I244 PolarHBondContact O-N 2.88Å; F242-I244 VanDerWaalsContact C-N 3.35Å; I244-G247 PolarHBondContact O-N 2.95Å; I244-I248 HydrophobicContact CG2-CD1 3.74Å; I244-I248 HydrophobicContact CG2-CG1 4.45Å; I244-I248 WeakPolarHBondContact O-CB 3.45Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.43Å; I244-I248 PolarHBondContact O-N 3.37Å
245F82.5Confident79.3Confident43 Ų4373.2 Ų73.219%0.18935%0.353CS..Hα-helixtrans-61.4-46.9179.1173.9-100.7000111.8Y62 T65 L241 F242 G247 I248 Y249Y62-F245 AromaticContact CD2-CE1 3.99Å; Y62-F245 HydrophobicContact CD2-CE1 3.99Å; T65-F245 VanDerWaalsContact CB-CE1 3.47Å; T65-F245 HydrophobicContact CG2-CD1 3.6Å; T65-F245 HydrophobicContact CG2-CD2 3.69Å; T65-F245 HydrophobicContact CG2-CE1 3.58Å; T65-F245 HydrophobicContact CG2-CE2 3.66Å; T65-F245 HydrophobicContact CG2-CG 3.65Å; T65-F245 HydrophobicContact CG2-CZ 3.61Å; T65-F245 WeakPolarHBondContact OG1-CE2 3.39Å; T65-F245 WeakPolarHBondContact OG1-CZ 3.38Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.35Å; F242-F245 PolarHBondContact O-N 3.26Å; F245-G247 VanDerWaalsContact C-N 3.35Å; F245-G247 PolarHBondContact O-N 2.94Å; F245-I248 PolarHBondContact O-N 2.93Å; F245-Y249 HydrophobicContact CZ-CD2 4.47Å; F245-Y249 VanDerWaalsContact O-CB 3.25Å; F245-Y249 WeakPolarHBondContact O-CB 3.46Å; F245-Y249 PolarHBondContact O-N 3.36Å
246N78.9Confident78.6Confident10 Ų1072 Ų725%0.05336%0.355CS..Hα-helixtrans-63.6-41.2176.4-82.8-70.7000111.9M8 Y62 F242 Y249 W250M8-N246 WeakPolarHBondContact CE-OD1 3.5Å; Y62-N246 WeakPolarHBondContact CE2-OD1 3.14Å; F242-N246 VanDerWaalsContact CD1-ND2 3.32Å; F242-N246 WeakPolarHBondContact CD1-ND2 3.42Å; F242-N246 WeakPolarHBondContact CD2-ND2 3.15Å; F242-N246 VanDerWaalsContact CE1-ND2 3.25Å; F242-N246 WeakPolarHBondContact CE1-ND2 3.39Å; F242-N246 WeakPolarHBondContact CE2-ND2 3.36Å; F242-N246 WeakPolarHBondContact CG-ND2 3.34Å; F242-N246 WeakPolarHBondContact CZ-ND2 3.43Å; F242-N246 VanDerWaalsContact O-CB 3.26Å; F242-N246 WeakPolarHBondContact O-CB 3.42Å; F242-N246 PolarHBondContact O-N 2.59Å; F242-N246 PolarHBondContact O-ND2 3.08Å; N246-Y249 PolarHBondContact O-N 3.22Å; N246-W250 WeakPolarHBondContact O-CB 3.49Å; N246-W250 PolarHBondContact O-N 3.36Å
247G80.5Confident77.8Confident30 Ų3070.8 Ų70.831%0.30935%0.348SS..Hα-helixtrans-57.9-50174.200000111.1F243 I244 F245 I251F243-G247 WeakPolarHBondContact O-CA 3.47Å; F243-G247 PolarHBondContact O-N 3.5Å; I244-G247 PolarHBondContact O-N 2.95Å; F245-G247 VanDerWaalsContact C-N 3.35Å; F245-G247 PolarHBondContact O-N 2.94Å; G247-I251 VanDerWaalsContact O-CB 3.27Å; G247-I251 WeakPolarHBondContact O-CB 3.14Å; G247-I251 VanDerWaalsContact O-CD1 3.32Å; G247-I251 WeakPolarHBondContact O-CD1 3.42Å; G247-I251 WeakPolarHBondContact O-CG1 3.41Å; G247-I251 PolarHBondContact O-N 3.4Å
248I82.1Confident76.8Confident96 Ų9672.4 Ų72.449%0.49236%0.356SS..Hα-helixtrans-61.8-45.9176-66.7167.9000110.7I244 F245 I251 T252I244-I248 HydrophobicContact CG2-CD1 3.74Å; I244-I248 HydrophobicContact CG2-CG1 4.45Å; I244-I248 WeakPolarHBondContact O-CB 3.45Å; I244-I248 VanDerWaalsContact O-CG1 3.27Å; I244-I248 WeakPolarHBondContact O-CG1 3.43Å; I244-I248 PolarHBondContact O-N 3.37Å; F245-I248 PolarHBondContact O-N 2.93Å; I248-I251 PolarHBondContact O-N 3.43Å; I248-T252 HydrophobicContact CG2-CG2 4.15Å; I248-T252 WeakPolarHBondContact O-CB 3.19Å; I248-T252 VanDerWaalsContact O-CG2 3.28Å; I248-T252 WeakPolarHBondContact O-CG2 3.44Å; I248-T252 PolarHBondContact O-N 2.81Å; I248-T252 PolarHBondContact O-OG1 3.36Å
249Y76.7Confident75.8Confident15 Ų1577.9 Ų77.96%0.05938%0.38CS..Hα-helixtrans-59.6-51.4-179.8-178.7-98.2000111.6Y4 A58 Y62 F245 N246 I251 T252 Q253Y4-Y249 AromaticContact CE1-CE1 3.8Å; Y4-Y249 HydrophobicContact CE1-CE1 3.8Å; Y4-Y249 PolarHBondContact OH-OH 2.92Å; A58-Y249 HydrophobicContact CB-CE2 4.12Å; A58-Y249 WeakPolarHBondContact O-CE2 3.21Å; A58-Y249 PolarHBondContact O-OH 2.99Å; Y62-Y249 HydrophobicContact CD2-CD1 4.02Å; Y62-Y249 HydrophobicContact CD2-CE1 4.06Å; Y62-Y249 HydrophobicContact CD2-CG 4.28Å; Y62-Y249 HydrophobicContact CG-CE1 4.26Å; F245-Y249 HydrophobicContact CZ-CD2 4.47Å; F245-Y249 VanDerWaalsContact O-CB 3.25Å; F245-Y249 WeakPolarHBondContact O-CB 3.46Å; F245-Y249 PolarHBondContact O-N 3.36Å; N246-Y249 PolarHBondContact O-N 3.22Å; Y249-I251 PolarHBondContact O-N 2.94Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.28Å; Y249-T252 PolarHBondContact O-N 3.12Å; Y249-T252 PolarHBondContact O-OG1 3.12Å; Y249-Q253 VanDerWaalsContact O-CB 3.29Å; Y249-Q253 WeakPolarHBondContact O-CB 3.33Å; Y249-Q253 PolarHBondContact O-N 2.97Å
250W76.4Confident74.8Confident109 Ų10982.8 Ų82.841%0.41341%0.405SS..Hα-helixtrans-64.6-40.1177.2-77.4105.9000112.2N246 Q253 E254N246-W250 WeakPolarHBondContact O-CB 3.49Å; N246-W250 PolarHBondContact O-N 3.36Å; W250-Q253 PolarHBondContact O-N 3.09Å; W250-E254 VanDerWaalsContact O-CB 3.27Å; W250-E254 WeakPolarHBondContact O-CB 3.39Å; W250-E254 PolarHBondContact O-N 2.87Å
251I76.9Confident73.6Confident106 Ų10681.4 Ų81.454%0.54441%0.41SS..Hα-helixtrans-62.9-44.9175.2-70.3165.3000111.1G247 I248 Y249 R255G247-I251 VanDerWaalsContact O-CB 3.27Å; G247-I251 WeakPolarHBondContact O-CB 3.14Å; G247-I251 VanDerWaalsContact O-CD1 3.32Å; G247-I251 WeakPolarHBondContact O-CD1 3.42Å; G247-I251 WeakPolarHBondContact O-CG1 3.41Å; G247-I251 PolarHBondContact O-N 3.4Å; I248-I251 PolarHBondContact O-N 3.43Å; Y249-I251 PolarHBondContact O-N 2.94Å; I251-R255 WeakPolarHBondContact O-CB 3Å; I251-R255 WeakPolarHBondContact O-CG 3.47Å; I251-R255 PolarHBondContact O-N 2.84Å
252T73.4Confident72.4Confident64 Ų6485.7 Ų85.739%0.39342%0.423SS..Hα-helixtrans-65.8-40.4177.854.90000111.6I248 Y249 R255 N256I248-T252 HydrophobicContact CG2-CG2 4.15Å; I248-T252 WeakPolarHBondContact O-CB 3.19Å; I248-T252 VanDerWaalsContact O-CG2 3.28Å; I248-T252 WeakPolarHBondContact O-CG2 3.44Å; I248-T252 PolarHBondContact O-N 2.81Å; I248-T252 PolarHBondContact O-OG1 3.36Å; Y249-T252 WeakPolarHBondContact CA-OG1 3.28Å; Y249-T252 PolarHBondContact O-N 3.12Å; Y249-T252 PolarHBondContact O-OG1 3.12Å; T252-R255 PolarHBondContact O-N 3.32Å; T252-N256 VanDerWaalsContact O-CG 3.27Å; T252-N256 PolarHBondContact O-N 3.28Å; T252-N256 PolarHBondContact O-ND2 3.04Å
253Q70.6Confident71.4Confident56 Ų5688.5 Ų88.526%0.26244%0.443SS..Hα-helixtrans-66.5-47.1178.2-172.462.231.900111.8Y249 W250 R255 N256 I257Y249-Q253 VanDerWaalsContact O-CB 3.29Å; Y249-Q253 WeakPolarHBondContact O-CB 3.33Å; Y249-Q253 PolarHBondContact O-N 2.97Å; W250-Q253 PolarHBondContact O-N 3.09Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 3.06Å; Q253-N256 PolarHBondContact O-N 3.1Å; Q253-N256 VanDerWaalsContact O-N 3.09Å; Q253-I257 HydrophobicContact CG-CD1 4.08Å; Q253-I257 WeakPolarHBondContact O-CG1 3.41Å; Q253-I257 PolarHBondContact O-N 3.4Å
254E70.6Confident70.5Confident103 Ų10387.5 Ų87.548%0.48144%0.444SS..Hα-helixtrans-57.9-45.9174.6-169.865.7-157.400110.5W250 N256 I257 I258W250-E254 VanDerWaalsContact O-CB 3.27Å; W250-E254 WeakPolarHBondContact O-CB 3.39Å; W250-E254 PolarHBondContact O-N 2.87Å; E254-N256 VanDerWaalsContact C-N 3.3Å; E254-N256 PolarHBondContact O-N 2.85Å; E254-I257 PolarHBondContact O-N 3.23Å; E254-I258 HydrophobicContact CG-CD1 3.9Å; E254-I258 WeakPolarHBondContact O-CG1 3.12Å; E254-I258 PolarHBondContact O-N 3.48Å
255R67.5Low69.6Low165 Ų16587.6 Ų87.662%0.62346%0.457SS*.Hα-helixtrans-59.5-38.1174.2-80.2-152.1-168.2-113.910.2112.9I251 T252 Q253 K259I251-R255 WeakPolarHBondContact O-CB 3Å; I251-R255 WeakPolarHBondContact O-CG 3.47Å; I251-R255 PolarHBondContact O-N 2.84Å; T252-R255 PolarHBondContact O-N 3.32Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 3.06Å; R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 WeakPolarHBondContact O-CG 3.38Å; R255-K259 PolarHBondContact O-N 3.33Å; R255-K259 VanDerWaalsContact O-N 3.1Å
256N65.7Low69Low81 Ų8191 Ų9143%0.43348%0.477SS..Hα-helixtrans-70.1-35.4177.7-73.8-40.6000112.1T252 Q253 E254 N260T252-N256 VanDerWaalsContact O-CG 3.27Å; T252-N256 PolarHBondContact O-N 3.28Å; T252-N256 PolarHBondContact O-ND2 3.04Å; Q253-N256 PolarHBondContact O-N 3.1Å; Q253-N256 VanDerWaalsContact O-N 3.09Å; E254-N256 VanDerWaalsContact C-N 3.3Å; E254-N256 PolarHBondContact O-N 2.85Å; N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 PolarHBondContact O-ND2 2.95Å
257I63.7Low68.5Low96 Ų9694 Ų9449%0.49249%0.492SS..Hα-helixtrans-67.7-47.8176.6-66.1162.1000110.1Q253 E254 K259 N260 G261Q253-I257 HydrophobicContact CG-CD1 4.08Å; Q253-I257 WeakPolarHBondContact O-CG1 3.41Å; Q253-I257 PolarHBondContact O-N 3.4Å; E254-I257 PolarHBondContact O-N 3.23Å; I257-K259 VanDerWaalsContact C-N 3.3Å; I257-K259 PolarHBondContact O-N 3.2Å; I257-N260 PolarHBondContact O-N 2.8Å; I257-G261 PolarHBondContact O-N 3.41Å
258I63.6Low68Low118 Ų11898.5 Ų98.561%0.60550%0.504SS*.Hα-helixtrans-63.6-35.4179.4-62.9165.9000111.4E254 N260E254-I258 HydrophobicContact CG-CD1 3.9Å; E254-I258 WeakPolarHBondContact O-CG1 3.12Å; E254-I258 PolarHBondContact O-N 3.48Å; I258-N260 PolarHBondContact O-N 3.26Å
259K62.1Low67.5Low137 Ų137101.4 Ų101.460%0.59652%0.519SS*.Hα-helixtrans-72.7-23-179.3-77.9177.9178.8-170.20114.7R255 I257R255-K259 WeakPolarHBondContact O-CB 3.44Å; R255-K259 WeakPolarHBondContact O-CG 3.38Å; R255-K259 PolarHBondContact O-N 3.33Å; R255-K259 VanDerWaalsContact O-N 3.1Å; I257-K259 VanDerWaalsContact C-N 3.3Å; I257-K259 PolarHBondContact O-N 3.2Å
260N62.5Low67.2Low129 Ų129109.2 Ų109.269%0.6955%0.55SS*.Hα-helixtrans-109.62.1-172.7-68.3-15.8000113.8N256 I257 I258N256-N260 PolarHBondContact O-N 3.25Å; N256-N260 PolarHBondContact O-ND2 2.95Å; I257-N260 PolarHBondContact O-N 2.8Å; I258-N260 PolarHBondContact O-N 3.26Å
261G57.5Low67.2Low53 Ų53113 Ų11355%0.54656%0.564SS.*  trans-89.1114.717200000110.7I257I257-G261 PolarHBondContact O-N 3.41Å
262Y58.3Low66.9Low163 Ų163116.4 Ų116.464%0.63958%0.583SS**  trans-105.6128.4163-67.2-82.4000108.2D266 I267Y262-D266 HydrophobicContact CD1-CB 4.34Å; Y262-I267 HydrophobicContact CD1-CD1 3.44Å; Y262-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y262-I267 HydrophobicContact CD1-CG1 3.98Å; Y262-I267 HydrophobicContact CD2-CD1 4.16Å; Y262-I267 HydrophobicContact CE1-CD1 3.8Å; Y262-I267 HydrophobicContact CE2-CD1 4.47Å; Y262-I267 HydrophobicContact CG-CD1 3.63Å; Y262-I267 HydrophobicContact CG-CG1 4.29Å
263S62.4Low66.8Low63 Ų63120.8 Ų120.844%0.44160%0.596SS.*  trans-74.7155.4169.9176.60000109.7A265 D266 I267S263-A265 PolarHBondContact O-N 3.41Å; S263-A265 VanDerWaalsContact O-N 3.12Å; S263-A265 VanDerWaalsContact OG-CB 3.32Å; S263-A265 WeakPolarHBondContact OG-CB 3.22Å; S263-A265 PolarHBondContact OG-N 3.28Å; S263-A265 VanDerWaalsContact OG-N 3.1Å; S263-D266 PolarHBondContact N-OD2 3.08Å; S263-D266 WeakPolarHBondContact O-CA 3.49Å; S263-D266 PolarHBondContact O-N 3.46Å; S263-I267 PolarHBondContact O-N 3.28Å; S263-I267 VanDerWaalsContact O-N 3.12Å
264D63.2Low66.8Low114 Ų114120.3 Ų120.361%0.6161%0.606SS**THydrogen-bonded Turntrans-61.2-15.4166.2-16553.4000111.6D266D264-D266 VanDerWaalsContact C-N 3.31Å
265A67.4Low66.4Low89 Ų89126.6 Ų126.674%0.73663%0.627SS**THydrogen-bonded Turntrans-69-25.4167.400000113.5S263S263-A265 PolarHBondContact O-N 3.41Å; S263-A265 VanDerWaalsContact O-N 3.12Å; S263-A265 VanDerWaalsContact OG-CB 3.32Å; S263-A265 WeakPolarHBondContact OG-CB 3.22Å; S263-A265 PolarHBondContact OG-N 3.28Å; S263-A265 VanDerWaalsContact OG-N 3.1Å
266D68Low66.3Low113 Ų113124.9 Ų124.960%0.60463%0.63SS**THydrogen-bonded Turntrans-100-37.8-176.2-57.8-42000112.1Y262 S263 D264Y262-D266 HydrophobicContact CD1-CB 4.34Å; S263-D266 PolarHBondContact N-OD2 3.08Å; S263-D266 WeakPolarHBondContact O-CA 3.49Å; S263-D266 PolarHBondContact O-N 3.46Å; D264-D266 VanDerWaalsContact C-N 3.31Å
267I70.2Confident66.4Low73 Ų73122.4 Ų122.437%0.37462%0.619SS.*  trans-142.9112-178.3-53.9-179.7000110.9Y262 S263 L269Y262-I267 HydrophobicContact CD1-CD1 3.44Å; Y262-I267 VanDerWaalsContact CD1-CD1 3.44Å; Y262-I267 HydrophobicContact CD1-CG1 3.98Å; Y262-I267 HydrophobicContact CD2-CD1 4.16Å; Y262-I267 HydrophobicContact CE1-CD1 3.8Å; Y262-I267 HydrophobicContact CE2-CD1 4.47Å; Y262-I267 HydrophobicContact CG-CD1 3.63Å; Y262-I267 HydrophobicContact CG-CG1 4.29Å; S263-I267 PolarHBondContact O-N 3.28Å; S263-I267 VanDerWaalsContact O-N 3.12Å; I267-L269 HydrophobicContact CG2-CD2 3.65Å; I267-L269 HydrophobicContact CG2-CG 3.93Å
268K69.3Low65.8Low126 Ų126122.5 Ų122.555%0.54862%0.624SS.*  trans-89115.5163.5-72.5-175.9179.3176.50109.8Y270K268-Y270 HydrophobicContact CB-CE1 4.37Å; K268-Y270 HydrophobicContact CB-CE2 3.84Å; K268-Y270 WeakPolarHBondContact CB-OH 3.41Å; K268-Y270 VanDerWaalsContact CD-OH 3.29Å; K268-Y270 WeakPolarHBondContact CD-OH 3.4Å; K268-Y270 WeakPolarHBondContact O-CE2 3.5Å
269L71Confident65.5Low156 Ų156121.4 Ų121.482%0.81762%0.623SS**  trans-91.8124.6178.7-66172.3000110.3I267I267-L269 HydrophobicContact CG2-CD2 3.65Å; I267-L269 HydrophobicContact CG2-CG 3.93Å
270Y71.7Confident64.9Low179 Ų179124.4 Ų124.470%0.70264%0.636SS**  trans-118.3135.8172.3-44.5-82.5000109.2K268 L272K268-Y270 HydrophobicContact CB-CE1 4.37Å; K268-Y270 HydrophobicContact CB-CE2 3.84Å; K268-Y270 WeakPolarHBondContact CB-OH 3.41Å; K268-Y270 VanDerWaalsContact CD-OH 3.29Å; K268-Y270 WeakPolarHBondContact CD-OH 3.4Å; K268-Y270 WeakPolarHBondContact O-CE2 3.5Å; Y270-L272 PolarHBondContact O-N 2.83Å; Y270-L272 VanDerWaalsContact O-N 3.16Å
271W76.2Confident64.4Low190 Ų190123.5 Ų123.572%0.7263%0.631SS**  trans-70.9105.7172.9-67.5107.9000109.7K273 G274 S277W271-K273 PolarHBondContact O-N 3.21Å; W271-G274 PolarHBondContact O-N 3.11Å; W271-S277 WeakPolarHBondContact CB-OG 3.29Å
272L70.7Confident64.4Low177 Ų177129 Ų12993%0.92764%0.643SS**THydrogen-bonded Turntrans-56.3-22.2-173.5-70168.9000114.7Y270Y270-L272 PolarHBondContact O-N 2.83Å; Y270-L272 VanDerWaalsContact O-N 3.16Å
273K70Confident64.1Low156 Ų156129.9 Ų129.968%0.67865%0.653SS**THydrogen-bonded Turntrans-123.723.4-178.7-66.9-176.3176.4176.80113.7W271 Y275 N276 S277W271-K273 PolarHBondContact O-N 3.21Å; K273-Y275 PolarHBondContact O-N 3.02Å; K273-N276 HydrophobicContact CB-CB 4.49Å; K273-N276 PolarHBondContact O-N 3.12Å; K273-S277 WeakPolarHBondContact CA-OG 3.45Å; K273-S277 WeakPolarHBondContact CB-OG 3.17Å; K273-S277 PolarHBondContact N-OG 3.47Å; K273-S277 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-OG 3.29Å
274G71.2Confident63.9Low45 Ų45133 Ų13346%0.46466%0.663SS.*G310 helixtrans50.8-131-179.700000113.7W271 N276 S277W271-G274 PolarHBondContact O-N 3.11Å; G274-N276 PolarHBondContact O-N 2.93Å; G274-N276 VanDerWaalsContact O-N 3.17Å; G274-S277 PolarHBondContact N-OG 3.29Å; G274-S277 VanDerWaalsContact O-CB 3.24Å; G274-S277 WeakPolarHBondContact O-CB 3.41Å; G274-S277 PolarHBondContact O-N 3.46Å; G274-S277 PolarHBondContact O-OG 3.46Å
275Y61.9Low63.5Low236 Ų236134.6 Ų134.693%0.92566%0.661SS**G310 helixtrans-58.7-22.4177.4-69.5-77.3000114.6K273K273-Y275 PolarHBondContact O-N 3.02Å
276N65.7Low63Low129 Ų129138.3 Ų138.369%0.6966%0.66SS**G310 helixtrans-93.64.7177.2-64.7-17.5000112.9K273 G274 V278K273-N276 HydrophobicContact CB-CB 4.49Å; K273-N276 PolarHBondContact O-N 3.12Å; G274-N276 PolarHBondContact O-N 2.93Å; G274-N276 VanDerWaalsContact O-N 3.17Å; N276-V278 PolarHBondContact O-N 3.42Å
277S67.1Low62.8Low28 Ų28136.1 Ų136.120%0.19665%0.648CS.*  trans-73.3-20.3178-47.90000113.1W271 K273 G274 T279W271-S277 WeakPolarHBondContact CB-OG 3.29Å; K273-S277 WeakPolarHBondContact CA-OG 3.45Å; K273-S277 WeakPolarHBondContact CB-OG 3.17Å; K273-S277 PolarHBondContact N-OG 3.47Å; K273-S277 PolarHBondContact O-N 2.97Å; K273-S277 PolarHBondContact O-OG 3.29Å; G274-S277 PolarHBondContact N-OG 3.29Å; G274-S277 VanDerWaalsContact O-CB 3.24Å; G274-S277 WeakPolarHBondContact O-CB 3.41Å; G274-S277 PolarHBondContact O-N 3.46Å; G274-S277 PolarHBondContact O-OG 3.46Å; S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.3Å; S277-T279 VanDerWaalsContact O-N 3.16Å
278V52.5Low62.6Low98 Ų98136.2 Ų136.259%0.59465%0.654SS**  trans-87.881.4174.9-172.50000107.4N276N276-V278 PolarHBondContact O-N 3.42Å
279T56.7Low62.6Low96 Ų96132.1 Ų132.159%0.58964%0.639SS**  trans-88.3131.1164.6-57.50000107.6S277 D281S277-T279 VanDerWaalsContact C-N 3.32Å; S277-T279 PolarHBondContact O-N 3.3Å; S277-T279 VanDerWaalsContact O-N 3.16Å; T279-D281 HydrophobicContact CG2-CB 4.48Å; T279-D281 PolarHBondContact O-N 2.8Å
280F49.6Very low62.9Low200 Ų200128.1 Ų128.188%0.87762%0.615SS**  trans-72.784.8167.2-70.4-85.3000107.8
281D52.2Low63.1Low109 Ų109124.7 Ų124.758%0.58361%0.606SS**  trans-94.5169.1-178.9-149.2-19.7000110.7T279 E283T279-D281 HydrophobicContact CG2-CB 4.48Å; T279-D281 PolarHBondContact O-N 2.8Å; D281-E283 PolarHBondContact O-N 3.16Å
282Q57.1Low63.1Low169 Ų169116.8 Ų116.879%0.7958%0.578SS**SBendtrans-51.517.1-170.4-84.2169.9-26.900118.8I284 R285Q282-I284 PolarHBondContact O-N 3.37Å; Q282-R285 PolarHBondContact O-N 3.01Å
283E52.8Low63.5Low181 Ų181113.7 Ų113.785%0.84656%0.558SS**G310 helixtrans-69.6-3.9172.9-66.4-154.4146.400115.2D281 R285D281-E283 PolarHBondContact O-N 3.16Å; E283-R285 PolarHBondContact O-N 3.21Å
284I56.8Low63.9Low128 Ų128110.8 Ų110.866%0.65655%0.55SS*.G310 helixtrans-63.3-11170.5-56.7175.4000111.6Q282 K286Q282-I284 PolarHBondContact O-N 3.37Å; I284-K286 PolarHBondContact O-N 2.59Å; I284-K286 VanDerWaalsContact O-N 3.11Å
285R54.7Low64.5Low149 Ų149113.3 Ų113.356%0.56255%0.553SS**G310 helixtrans-61.9-21.3-174.2-143.2175.1-163.5161.25.1115.3Q282 E283 L292Q282-R285 PolarHBondContact O-N 3.01Å; E283-R285 PolarHBondContact O-N 3.21Å; R285-L292 HydrophobicContact CG-CB 3.9Å; R285-L292 HydrophobicContact CG-CD2 4.19Å; R285-L292 PolarHBondContact O-N 3.31Å
286K57.1Low65.5Low166 Ų166107.6 Ų107.672%0.72253%0.53SS*.BIsolated β-bridgetrans-114.778.9176.5-69.8-177.8-179.4175.10110.5I284I284-K286 PolarHBondContact O-N 2.59Å; I284-K286 VanDerWaalsContact O-N 3.11Å
287L64.7Low66.6Low68 Ų68106.9 Ų106.936%0.35653%0.525SS..  trans-63.8144.6162-64.7162.4000108T289 F290 F318L287-T289 PolarHBondContact O-N 3.06Å; L287-F290 CarbonylContact C-O 3.59Å; L287-F290 WeakPolarHBondContact CA-O 3.32Å; L287-F290 HydrophobicContact CB-CB 4.21Å; L287-F290 VanDerWaalsContact CB-O 3.24Å; L287-F290 WeakPolarHBondContact CB-O 3.12Å; L287-F290 HydrophobicContact CD1-CB 4.4Å; L287-F290 PolarHBondContact N-O 2.63Å; L287-F290 VanDerWaalsContact N-O 3.08Å; L287-F290 CarbonylContact O-C 3.53Å; L287-F290 PolarHBondContact O-N 3.13Å; L287-F318 HydrophobicContact CD1-CD1 3.86Å; L287-F318 HydrophobicContact CD1-CE1 3.4Å; L287-F318 HydrophobicContact CD1-CZ 3.96Å
288P64.9Low67.5Low75 Ų75107.9 Ų107.949%0.48753%0.53SS..SBendtrans-61.1-20.2-171.8-23.131.3000115.1K52 V53 S54K52-P288 WeakPolarHBondContact O-CB 3.39Å; V53-P288 CarbonylContact C-O 3.48Å; S54-P288 VanDerWaalsContact CA-O 3.27Å; S54-P288 WeakPolarHBondContact CA-O 3.45Å; S54-P288 VanDerWaalsContact CB-O 3.22Å; S54-P288 WeakPolarHBondContact CB-O 3.19Å; S54-P288 PolarHBondContact N-O 3.36Å
289T70.6Confident69.3Low39 Ų39110.2 Ų110.224%0.23953%0.534CS..SBendtrans-115-17.7179.6-52.50000112.7L287 N321L287-T289 PolarHBondContact O-N 3.06Å; T289-N321 PolarHBondContact O-N 3.37Å
290F76.6Confident70.8Confident73 Ų73112.9 Ų112.932%0.3253%0.533SS..EExtended strand (participates in β ladder)trans-135.9130.4-168.8-65.4-78000110.5L287 F318 V319 R320L287-F290 CarbonylContact C-O 3.59Å; L287-F290 WeakPolarHBondContact CA-O 3.32Å; L287-F290 HydrophobicContact CB-CB 4.21Å; L287-F290 VanDerWaalsContact CB-O 3.24Å; L287-F290 WeakPolarHBondContact CB-O 3.12Å; L287-F290 HydrophobicContact CD1-CB 4.4Å; L287-F290 PolarHBondContact N-O 2.63Å; L287-F290 VanDerWaalsContact N-O 3.08Å; L287-F290 CarbonylContact O-C 3.53Å; L287-F290 PolarHBondContact O-N 3.13Å; F290-F318 HydrophobicContact CB-CB 4.06Å; F290-F318 HydrophobicContact CB-CD1 4.18Å; F290-F318 HydrophobicContact CB-CG 4.42Å; F290-F318 HydrophobicContact CD1-CB 4.22Å; F290-F318 HydrophobicContact CG-CB 4.38Å; F290-V319 CarbonylContact C-O 3.5Å; F290-V319 VanDerWaalsContact CA-O 3.29Å; F290-V319 WeakPolarHBondContact CA-O 3.42Å; F290-R320 HydrophobicContact CD1-CB 4.13Å; F290-R320 HydrophobicContact CE1-CB 4Å; F290-R320 HydrophobicContact CE1-CG 4.29Å
291E75.2Confident72.8Confident106 Ų106111.2 Ų111.250%0.49553%0.526SS..EExtended strand (participates in β ladder)trans-95131.7170.9-172.5160.8-162.900108.3E293 F318 V319E291-E293 PolarHBondContact O-N 2.93Å; E291-F318 CarbonylContact O-C 3.51Å; E291-F318 WeakPolarHBondContact O-CA 3.27Å; E291-V319 PolarHBondContact N-O 3.34Å; E291-V319 PolarHBondContact O-N 3.36Å
292L76.8Confident74.6Confident25 Ų25108 Ų10813%0.13151%0.508CS..EExtended strand (participates in β ladder)trans-71.8109.8172.3-17974.8000107.9R285 L295 L316 F318R285-L292 HydrophobicContact CG-CB 3.9Å; R285-L292 HydrophobicContact CG-CD2 4.19Å; R285-L292 PolarHBondContact O-N 3.31Å; L292-L295 HydrophobicContact CD2-CB 4.33Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L292-L316 HydrophobicContact CD1-CB 3.87Å; L292-L316 HydrophobicContact CD1-CD2 3.91Å; L292-L316 HydrophobicContact CD1-CG 4.44Å; L292-F318 HydrophobicContact CB-CD1 4.26Å; L292-F318 HydrophobicContact CB-CE1 4.1Å; L292-F318 HydrophobicContact CD1-CD1 4.06Å; L292-F318 HydrophobicContact CD1-CE1 3.65Å; L292-F318 HydrophobicContact CD1-CZ 3.96Å; L292-F318 HydrophobicContact CG-CE1 4.49Å
293E79.1Confident76.3Confident111 Ų111104.3 Ų104.352%0.51950%0.501SS..EExtended strand (participates in β ladder)trans-76.6-59.5178.7-177.1174.6-138.500109.3E291 T317 V319E291-E293 PolarHBondContact O-N 2.93Å; E293-T317 PolarHBondContact N-O 3.36Å; E293-V319 HydrophobicContact CB-CB 4.47Å; E293-V319 HydrophobicContact CB-CG2 3.63Å; E293-V319 HydrophobicContact CG-CG2 3.93Å; E293-V319 WeakPolarHBondContact OE2-CG2 3.47Å
294D79.2Confident78.1Confident95 Ų9599.9 Ų99.951%0.50848%0.483SS..EExtended strand (participates in β ladder)trans-134.6151.6179.4-64.2-51.6000113.3T317D294-T317 WeakPolarHBondContact CA-OG1 3.41Å; D294-T317 VanDerWaalsContact CB-OG1 3.3Å; D294-T317 WeakPolarHBondContact CB-OG1 3.44Å; D294-T317 PolarHBondContact N-OG1 3.17Å; D294-T317 PolarHBondContact O-N 3.44Å; D294-T317 PolarHBondContact O-OG1 2.85Å
295L82.1Confident79.9Confident99 Ų99100.2 Ų100.252%0.51850%0.496SS..EExtended strand (participates in β ladder)trans-130.6121.3172-179.5156.4000107.9L292 I297 L314 H315 L316L292-L295 HydrophobicContact CD2-CB 4.33Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L295-I297 HydrophobicContact CD2-CG1 4.45Å; L295-L314 HydrophobicContact CD1-CD1 4.27Å; L295-L314 HydrophobicContact CD2-CD1 3.93Å; L295-L314 HydrophobicContact CG-CD1 3.88Å; L295-H315 WeakPolarHBondContact CA-O 3.35Å; L295-L316 HydrophobicContact CB-CD2 4.03Å; L295-L316 HydrophobicContact CD1-CD2 3.52Å; L295-L316 HydrophobicContact CG-CD2 3.63Å
296Y83.8Confident81.7Confident116 Ų11698 Ų9846%0.45550%0.5SS..EExtended strand (participates in β ladder)trans-138.2146.9172.364-88000111.5V298 H315Y296-V298 HydrophobicContact CD2-CG2 3.58Å; Y296-V298 HydrophobicContact CE2-CG2 3.63Å; Y296-H315 HydrophobicContact CD1-CB 3.97Å; Y296-H315 HydrophobicContact CD2-CB 3.9Å; Y296-H315 HydrophobicContact CE1-CB 3.52Å; Y296-H315 HydrophobicContact CE2-CB 3.43Å; Y296-H315 VanDerWaalsContact CE2-CB 3.43Å; Y296-H315 AromaticContact CE2-CD2 3.56Å; Y296-H315 AromaticContact CE2-CG 3.48Å; Y296-H315 VanDerWaalsContact CE2-CG 3.48Å; Y296-H315 HydrophobicContact CG-CB 4.14Å; Y296-H315 AromaticContact CZ-CG 3.52Å; Y296-H315 PolarHBondContact N-O 2.98Å; Y296-H315 VanDerWaalsContact N-O 3.09Å; Y296-H315 PolarHBondContact O-N 2.75Å
297I88.8Confident83.5Confident113 Ų11391.5 Ų91.558%0.57948%0.48SS*.EExtended strand (participates in β ladder)trans-108.4128.8-178.7-61169.9000107.7L295 L312 L314L295-I297 HydrophobicContact CD2-CG1 4.45Å; I297-L312 HydrophobicContact CG2-CD1 3.37Å; I297-L312 HydrophobicContact CG2-CG 4.03Å; I297-L314 HydrophobicContact CG1-CD1 3.81Å
298V86.6Confident84.8Confident50 Ų5093.6 Ų93.630%0.30349%0.491SS..EExtended strand (participates in β ladder)trans-117.3117.3178-176.20000108.8Y296 S313Y296-V298 HydrophobicContact CD2-CG2 3.58Å; Y296-V298 HydrophobicContact CE2-CG2 3.63Å; V298-S313 PolarHBondContact N-O 2.89Å; V298-S313 PolarHBondContact O-N 3.47Å
299E90.1Very high86.1Confident146 Ų14695.7 Ų95.768%0.68249%0.491SS*.EExtended strand (participates in β ladder)trans-95.5126.3167.8-171.6178.8176.600109.3L312E299-L312 HydrophobicContact CB-CD1 4.14Å
300R88Confident87.1Confident152 Ų15297.7 Ų97.757%0.57451%0.506SS*.EExtended strand (participates in β ladder)trans-146.3148178.263.5-175.6-65.4-172.62.1111.7R311R300-R311 HydrophobicContact CG-CB 4.42Å; R300-R311 PolarHBondContact N-O 3.01Å; R300-R311 WeakPolarHBondContact O-CA 3.29Å; R300-R311 PolarHBondContact O-N 2.96Å
301K91.5Very high87.6Confident166 Ų16699.9 Ų99.972%0.72251%0.512SS*.EExtended strand (participates in β ladder)trans-82.6138.1166.5-72.3-177.4179.2-179.50110.1Y309K301-Y309 CarbonylContact C-O 3.53Å; K301-Y309 VanDerWaalsContact CA-O 3.32Å; K301-Y309 WeakPolarHBondContact CA-O 3.35Å
302I91Very high88.2Confident40 Ų40100.9 Ų100.921%0.20552%0.52CS..EExtended strand (participates in β ladder)trans-118.4127.8173.6-169.1173.2000109.7L304 Y309 R311I302-L304 HydrophobicContact CB-CD1 4.32Å; I302-L304 HydrophobicContact CD1-CD1 3.75Å; I302-L304 HydrophobicContact CG1-CD1 3.63Å; I302-L304 HydrophobicContact CG2-CD1 3.93Å; I302-Y309 PolarHBondContact N-O 3.19Å; I302-Y309 PolarHBondContact O-N 3.11Å; I302-R311 HydrophobicContact CG2-CB 4.5Å
303S91.5Very high88.7Confident92 Ų92101.1 Ų101.164%0.64352%0.524SS*.EExtended strand (participates in β ladder)trans-91.8112.7176.8-55.40000109.4D308S303-D308 VanDerWaalsContact CA-OD1 3.26Å; S303-D308 WeakPolarHBondContact CA-OD1 3.35Å; S303-D308 WeakPolarHBondContact CB-OD1 3.42Å; S303-D308 PolarHBondContact OG-OD1 3.48Å
304L91.8Very high89Confident88 Ų88100.7 Ų100.746%0.46153%0.525SS..EExtended strand (participates in β ladder)trans-103.4166.1171-91.364.8000109.3I302 T306 G307 Y309I302-L304 HydrophobicContact CB-CD1 4.32Å; I302-L304 HydrophobicContact CD1-CD1 3.75Å; I302-L304 HydrophobicContact CG1-CD1 3.63Å; I302-L304 HydrophobicContact CG2-CD1 3.93Å; L304-T306 PolarHBondContact O-N 3.27Å; L304-G307 PolarHBondContact N-O 3.36Å; L304-G307 PolarHBondContact O-N 3.4Å; L304-Y309 HydrophobicContact CB-CD2 4.44Å; L304-Y309 HydrophobicContact CB-CE2 4.26Å
305S93.6Very high89.2Confident135 Ų13599.9 Ų99.994%0.94452%0.518SS*.THydrogen-bonded Turntrans-57-22.9174.753.20000113.6
306T93.7Very high89.2Confident102 Ų10298.6 Ų98.663%0.62651%0.511SS*.THydrogen-bonded Turntrans-91.5-8.8179.1580000113.9L304 Y309L304-T306 PolarHBondContact O-N 3.27Å; T306-Y309 WeakPolarHBondContact OG1-CE2 3.45Å; T306-Y309 PolarHBondContact OG1-OH 2.98Å; T306-Y309 VanDerWaalsContact OG1-OH 3.09Å
307G93.2Very high89.2Confident30 Ų3095.3 Ų95.331%0.30950%0.503SS..EExtended strand (participates in β ladder)trans138.8-176.6-177.700000114.4L304 Y309L304-G307 PolarHBondContact N-O 3.36Å; L304-G307 PolarHBondContact O-N 3.4Å; G307-Y309 VanDerWaalsContact O-CD2 3.28Å; G307-Y309 WeakPolarHBondContact O-CD2 3.32Å; G307-Y309 VanDerWaalsContact O-CE2 3.25Å; G307-Y309 WeakPolarHBondContact O-CE2 3.42Å
308D92.7Very high88.9Confident112 Ų11294.2 Ų94.260%0.59949%0.494SS*.EExtended strand (participates in β ladder)trans-94.7133179.4-72.8-24.8000112S303S303-D308 VanDerWaalsContact CA-OD1 3.26Å; S303-D308 WeakPolarHBondContact CA-OD1 3.35Å; S303-D308 WeakPolarHBondContact CB-OD1 3.42Å; S303-D308 PolarHBondContact OG-OD1 3.48Å
309Y91.8Very high88.7Confident120 Ų12094.6 Ų94.647%0.47150%0.497SS..EExtended strand (participates in β ladder)trans-128.9141.9-178.8-59-89.5000111.2K301 I302 L304 T306 G307K301-Y309 CarbonylContact C-O 3.53Å; K301-Y309 VanDerWaalsContact CA-O 3.32Å; K301-Y309 WeakPolarHBondContact CA-O 3.35Å; I302-Y309 PolarHBondContact N-O 3.19Å; I302-Y309 PolarHBondContact O-N 3.11Å; L304-Y309 HydrophobicContact CB-CD2 4.44Å; L304-Y309 HydrophobicContact CB-CE2 4.26Å; T306-Y309 WeakPolarHBondContact OG1-CE2 3.45Å; T306-Y309 PolarHBondContact OG1-OH 2.98Å; T306-Y309 VanDerWaalsContact OG1-OH 3.09Å; G307-Y309 VanDerWaalsContact O-CD2 3.28Å; G307-Y309 WeakPolarHBondContact O-CD2 3.32Å; G307-Y309 VanDerWaalsContact O-CE2 3.25Å; G307-Y309 WeakPolarHBondContact O-CE2 3.42Å
310S92.5Very high88.3Confident81 Ų8192.9 Ų92.957%0.56648%0.484SS*.EExtended strand (participates in β ladder)trans-76.2136169.4-1720000110.4
311R87.1Confident87.9Confident119 Ų11988.5 Ų88.545%0.44947%0.472SS..EExtended strand (participates in β ladder)trans-129.8123.5177.2178.3177.9-72.6174-1.1109.8R300 I302R300-R311 HydrophobicContact CG-CB 4.42Å; R300-R311 PolarHBondContact N-O 3.01Å; R300-R311 WeakPolarHBondContact O-CA 3.29Å; R300-R311 PolarHBondContact O-N 2.96Å; I302-R311 HydrophobicContact CG2-CB 4.5Å
312L88.2Confident87.3Confident126 Ų12685.2 Ų85.266%0.6646%0.462SS*.EExtended strand (participates in β ladder)trans-94.4128166.2-167.667.8000109I297 E299I297-L312 HydrophobicContact CG2-CD1 3.37Å; I297-L312 HydrophobicContact CG2-CG 4.03Å; E299-L312 HydrophobicContact CB-CD1 4.14Å
313S85.9Confident86.6Confident30 Ų3084.1 Ų84.121%0.2146%0.461CS..EExtended strand (participates in β ladder)trans-125.4125.9178.9-61.70000110.1V298V298-S313 PolarHBondContact N-O 2.89Å; V298-S313 PolarHBondContact O-N 3.47Å
314L85.8Confident85.9Confident103 Ų10380.3 Ų80.354%0.53943%0.433SS..EExtended strand (participates in β ladder)trans-97.4121.5174178.168.7000108.7L295 I297 L316L295-L314 HydrophobicContact CD1-CD1 4.27Å; L295-L314 HydrophobicContact CD2-CD1 3.93Å; L295-L314 HydrophobicContact CG-CD1 3.88Å; I297-L314 HydrophobicContact CG1-CD1 3.81Å; L314-L316 HydrophobicContact CD1-CD2 4.24Å; L314-L316 HydrophobicContact CD2-CD1 4.25Å; L314-L316 HydrophobicContact CD2-CD2 4.21Å; L314-L316 HydrophobicContact CD2-CG 4.28Å; L314-L316 HydrophobicContact CG-CD2 4.1Å; L314-L316 HydrophobicContact CG-CG 4.15Å
315H84.3Confident85.5Confident78 Ų7877.5 Ų77.536%0.36142%0.416SS..EExtended strand (participates in β ladder)trans-106.8125.9175.4-69.6-96.3000109.6L295 Y296L295-H315 WeakPolarHBondContact CA-O 3.35Å; Y296-H315 HydrophobicContact CD1-CB 3.97Å; Y296-H315 HydrophobicContact CD2-CB 3.9Å; Y296-H315 HydrophobicContact CE1-CB 3.52Å; Y296-H315 HydrophobicContact CE2-CB 3.43Å; Y296-H315 VanDerWaalsContact CE2-CB 3.43Å; Y296-H315 AromaticContact CE2-CD2 3.56Å; Y296-H315 AromaticContact CE2-CG 3.48Å; Y296-H315 VanDerWaalsContact CE2-CG 3.48Å; Y296-H315 HydrophobicContact CG-CB 4.14Å; Y296-H315 AromaticContact CZ-CG 3.52Å; Y296-H315 PolarHBondContact N-O 2.98Å; Y296-H315 VanDerWaalsContact N-O 3.09Å; Y296-H315 PolarHBondContact O-N 2.75Å
316L82.1Confident85Confident72 Ų7277.9 Ų77.938%0.37740%0.397SS..EExtended strand (participates in β ladder)trans-120.7116.4179.1-58.4173.8000108.1L292 L295 L314 F318L292-L316 HydrophobicContact CD1-CB 3.87Å; L292-L316 HydrophobicContact CD1-CD2 3.91Å; L292-L316 HydrophobicContact CD1-CG 4.44Å; L295-L316 HydrophobicContact CB-CD2 4.03Å; L295-L316 HydrophobicContact CD1-CD2 3.52Å; L295-L316 HydrophobicContact CG-CD2 3.63Å; L314-L316 HydrophobicContact CD1-CD2 4.24Å; L314-L316 HydrophobicContact CD2-CD1 4.25Å; L314-L316 HydrophobicContact CD2-CD2 4.21Å; L314-L316 HydrophobicContact CD2-CG 4.28Å; L314-L316 HydrophobicContact CG-CD2 4.1Å; L314-L316 HydrophobicContact CG-CG 4.15Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.56Å; L316-F318 HydrophobicContact CB-CZ 3.88Å; L316-F318 HydrophobicContact CD1-CE2 4.23Å; L316-F318 HydrophobicContact CD1-CZ 4.07Å
317T83.6Confident84.4Confident46 Ų4673.8 Ų73.828%0.28237%0.371SS..EExtended strand (participates in β ladder)trans-96.6127.9173.956.30000109.4E293 D294E293-T317 PolarHBondContact N-O 3.36Å; D294-T317 WeakPolarHBondContact CA-OG1 3.41Å; D294-T317 VanDerWaalsContact CB-OG1 3.3Å; D294-T317 WeakPolarHBondContact CB-OG1 3.44Å; D294-T317 PolarHBondContact N-OG1 3.17Å; D294-T317 PolarHBondContact O-N 3.44Å; D294-T317 PolarHBondContact O-OG1 2.85Å
318F82.7Confident83.9Confident91 Ų9172.5 Ų72.540%0.39936%0.358SS..EExtended strand (participates in β ladder)trans-117.4121.5-176.6-70.8-71.9000109.7L287 F290 E291 L292 L316L287-F318 HydrophobicContact CD1-CD1 3.86Å; L287-F318 HydrophobicContact CD1-CE1 3.4Å; L287-F318 HydrophobicContact CD1-CZ 3.96Å; F290-F318 HydrophobicContact CB-CB 4.06Å; F290-F318 HydrophobicContact CB-CD1 4.18Å; F290-F318 HydrophobicContact CB-CG 4.42Å; F290-F318 HydrophobicContact CD1-CB 4.22Å; F290-F318 HydrophobicContact CG-CB 4.38Å; E291-F318 CarbonylContact O-C 3.51Å; E291-F318 WeakPolarHBondContact O-CA 3.27Å; L292-F318 HydrophobicContact CB-CD1 4.26Å; L292-F318 HydrophobicContact CB-CE1 4.1Å; L292-F318 HydrophobicContact CD1-CD1 4.06Å; L292-F318 HydrophobicContact CD1-CE1 3.65Å; L292-F318 HydrophobicContact CD1-CZ 3.96Å; L292-F318 HydrophobicContact CG-CE1 4.49Å; L316-F318 HydrophobicContact CB-CD2 4.28Å; L316-F318 HydrophobicContact CB-CE2 3.56Å; L316-F318 HydrophobicContact CB-CZ 3.88Å; L316-F318 HydrophobicContact CD1-CE2 4.23Å; L316-F318 HydrophobicContact CD1-CZ 4.07Å
319V82Confident83.6Confident58 Ų5867.4 Ų67.435%0.35233%0.33SS..EExtended strand (participates in β ladder)trans-95.3135.9173.9173.20000109.7F290 E291 E293F290-V319 CarbonylContact C-O 3.5Å; F290-V319 VanDerWaalsContact CA-O 3.29Å; F290-V319 WeakPolarHBondContact CA-O 3.42Å; E291-V319 PolarHBondContact N-O 3.34Å; E291-V319 PolarHBondContact O-N 3.36Å; E293-V319 HydrophobicContact CB-CB 4.47Å; E293-V319 HydrophobicContact CB-CG2 3.63Å; E293-V319 HydrophobicContact CG-CG2 3.93Å; E293-V319 WeakPolarHBondContact OE2-CG2 3.47Å
320R81.7Confident83.4Confident109 Ų10963.9 Ų63.941%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-84.2129.9178.7-175.5-177.1-63.1-168.63.7110.7F290 L322 Y325F290-R320 HydrophobicContact CD1-CB 4.13Å; F290-R320 HydrophobicContact CE1-CB 4Å; F290-R320 HydrophobicContact CE1-CG 4.29Å; R320-L322 PolarHBondContact O-N 2.87Å; R320-Y325 HydrophobicContact CG-CE2 3.89Å
321N79.3Confident83.2Confident60 Ų6062.4 Ų62.432%0.32130%0.3SS..PPolyproline II helixtrans-76123.3170-169.2-31000110.8S54 T289 G323 Y325S54-N321 PolarHBondContact O-ND2 2.89Å; T289-N321 PolarHBondContact O-N 3.37Å; N321-G323 PolarHBondContact OD1-N 3.15Å; N321-Y325 WeakPolarHBondContact O-CD2 3.48Å
322L79.5Confident83.3Confident97 Ų9756.8 Ų56.851%0.50828%0.279SS..  trans-87.2-13.9-177-65.9174.6000114.2R320 F324 Y325 W326R320-L322 PolarHBondContact O-N 2.87Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 2.84Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.28Å; L322-W326 VanDerWaalsContact O-CD1 3.29Å; L322-W326 PolarHBondContact O-N 2.95Å; L322-W326 VanDerWaalsContact O-N 3.07Å
323G75.8Confident83.4Confident18 Ų1850.8 Ų50.819%0.18625%0.248CC..Hα-helixtrans-57.7-42.7-171.100000113.7N321 W326 V327N321-G323 PolarHBondContact OD1-N 3.15Å; G323-W326 PolarHBondContact O-N 3.33Å; G323-V327 PolarHBondContact O-N 3.47Å
324F77.1Confident83.7Confident12 Ų1252.7 Ų52.75%0.05326%0.255CS..Hα-helixtrans-61.2-43.7175.1176.5-87.7000112.6N47 K52 L322 W326 V327 Q328N47-F324 HydrophobicContact CB-CZ 4.5Å; K52-F324 HydrophobicContact CB-CE2 4.48Å; K52-F324 HydrophobicContact CB-CZ 4.45Å; K52-F324 HydrophobicContact CG-CE2 4.38Å; K52-F324 HydrophobicContact CG-CZ 3.94Å; L322-F324 VanDerWaalsContact C-N 3.34Å; L322-F324 PolarHBondContact O-N 2.84Å; F324-W326 VanDerWaalsContact C-N 3.33Å; F324-W326 PolarHBondContact O-N 2.96Å; F324-V327 PolarHBondContact O-N 2.86Å; F324-Q328 VanDerWaalsContact CE2-CD 3.44Å; F324-Q328 WeakPolarHBondContact O-CB 3.4Å; F324-Q328 VanDerWaalsContact O-CG 3.3Å; F324-Q328 WeakPolarHBondContact O-CG 3.05Å; F324-Q328 PolarHBondContact O-N 3Å
325Y82.6Confident83.8Confident28 Ų2849.8 Ų49.811%0.1124%0.239CC..Hα-helixtrans-67.8-33.9-179.2-61.8-78.4000112.1R320 N321 L322 I329 Y330R320-Y325 HydrophobicContact CG-CE2 3.89Å; N321-Y325 WeakPolarHBondContact O-CD2 3.48Å; L322-Y325 HydrophobicContact CD2-CD2 4.45Å; L322-Y325 PolarHBondContact O-N 3.28Å; Y325-I329 HydrophobicContact CD1-CD1 3.78Å; Y325-I329 WeakPolarHBondContact O-CB 3.39Å; Y325-I329 PolarHBondContact O-N 2.91Å; Y325-Y330 WeakPolarHBondContact O-CD2 3.31Å; Y325-Y330 PolarHBondContact O-N 3.02Å
326W83.9Confident84.2Confident143 Ų14346.1 Ų46.154%0.54222%0.223SC..Iπ-helixtrans-57.5-53.3174.5-85.5111.7000112.4L322 G323 F324 Q328 Y330 Q331L322-W326 VanDerWaalsContact O-CD1 3.29Å; L322-W326 PolarHBondContact O-N 2.95Å; L322-W326 VanDerWaalsContact O-N 3.07Å; G323-W326 PolarHBondContact O-N 3.33Å; F324-W326 VanDerWaalsContact C-N 3.33Å; F324-W326 PolarHBondContact O-N 2.96Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; W326-Q328 PolarHBondContact O-N 3.28Å; W326-Y330 HydrophobicContact CD2-CD2 4.12Å; W326-Y330 HydrophobicContact CD2-CG 4.43Å; W326-Y330 HydrophobicContact CE3-CD2 4.03Å; W326-Y330 AromaticContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CG-CD2 4.48Å; W326-Y330 HydrophobicContact CZ3-CD1 4.47Å; W326-Y330 HydrophobicContact CZ3-CD2 4.46Å; W326-Y330 HydrophobicContact CZ3-CG 4.02Å; W326-Y330 PolarHBondContact O-N 2.95Å; W326-Q331 WeakPolarHBondContact O-CB 3.38Å; W326-Q331 PolarHBondContact O-N 2.69Å
327V81Confident84.6Confident16 Ų1643.4 Ų43.410%0.09721%0.209CC..Iπ-helixtrans-69.9-34.8-175.3179.70000111M43 I56 D60 G323 F324 Q331 P332M43-V327 HydrophobicContact CE-CB 4.43Å; M43-V327 HydrophobicContact CE-CG1 3.36Å; M43-V327 WeakPolarHBondContact CE-O 3.35Å; I56-V327 HydrophobicContact CD1-CG2 4.33Å; I56-V327 HydrophobicContact CG1-CG2 4.26Å; I56-V327 HydrophobicContact CG2-CG2 4.36Å; D60-V327 HydrophobicContact CB-CG1 3.88Å; G323-V327 PolarHBondContact O-N 3.47Å; F324-V327 PolarHBondContact O-N 2.86Å; V327-Q331 WeakPolarHBondContact O-CB 3.29Å; V327-P332 WeakPolarHBondContact O-CD 3.4Å
328Q81.8Confident84.9Confident4 Ų443.1 Ų43.12%0.01921%0.207CC..Iπ-helixtrans-99.6-24.8-168.7-60.5-175.98.800116.2N47 F324 W326 P332N47-Q328 VanDerWaalsContact CB-OE1 3.27Å; N47-Q328 WeakPolarHBondContact ND2-CG 3.29Å; N47-Q328 PolarHBondContact ND2-NE2 2.87Å; N47-Q328 PolarHBondContact ND2-OE1 2.86Å; N47-Q328 VanDerWaalsContact OD1-CD 3.22Å; N47-Q328 PolarHBondContact OD1-NE2 3.43Å; F324-Q328 VanDerWaalsContact CE2-CD 3.44Å; F324-Q328 WeakPolarHBondContact O-CB 3.4Å; F324-Q328 VanDerWaalsContact O-CG 3.3Å; F324-Q328 WeakPolarHBondContact O-CG 3.05Å; F324-Q328 PolarHBondContact O-N 3Å; W326-Q328 VanDerWaalsContact C-N 3.34Å; W326-Q328 PolarHBondContact O-N 3.28Å; Q328-P332 WeakPolarHBondContact O-CG 3.29Å
329I85.8Confident85.3Confident4 Ų439 Ų392%0.02119%0.189CC..Iπ-helixtrans-115-55.1-177.1-54.6-179.8000109.3Y325 S333 T372 V385 L389Y325-I329 HydrophobicContact CD1-CD1 3.78Å; Y325-I329 WeakPolarHBondContact O-CB 3.39Å; Y325-I329 PolarHBondContact O-N 2.91Å; I329-S333 WeakPolarHBondContact O-CB 3.35Å; I329-S333 PolarHBondContact O-N 2.64Å; I329-S333 VanDerWaalsContact O-N 3.14Å; I329-S333 PolarHBondContact O-OG 3.11Å; I329-T372 HydrophobicContact CD1-CG2 3.74Å; I329-V385 HydrophobicContact CD1-CG2 4.24Å; I329-V385 HydrophobicContact CG2-CG2 3.77Å; I329-L389 HydrophobicContact CG2-CD1 4.17Å; I329-L389 HydrophobicContact CG2-CD2 4.16Å; I329-L389 HydrophobicContact CG2-CG 4.44Å
330Y89.2Confident85.6Confident47 Ų4736.4 Ų36.418%0.18417%0.174CC..Iπ-helixtrans-69.5-46.3-175.1-67.6-75000112.1Y325 W326 S333 I334 Y388Y325-Y330 WeakPolarHBondContact O-CD2 3.31Å; Y325-Y330 PolarHBondContact O-N 3.02Å; W326-Y330 HydrophobicContact CD2-CD2 4.12Å; W326-Y330 HydrophobicContact CD2-CG 4.43Å; W326-Y330 HydrophobicContact CE3-CD2 4.03Å; W326-Y330 AromaticContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CE3-CG 3.87Å; W326-Y330 HydrophobicContact CG-CD2 4.48Å; W326-Y330 HydrophobicContact CZ3-CD1 4.47Å; W326-Y330 HydrophobicContact CZ3-CD2 4.46Å; W326-Y330 HydrophobicContact CZ3-CG 4.02Å; W326-Y330 PolarHBondContact O-N 2.95Å; Y330-S333 WeakPolarHBondContact CA-OG 3.46Å; Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 2.97Å; Y330-I334 WeakPolarHBondContact O-CD1 3.49Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 2.64Å; Y330-Y388 AromaticContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD2 4.44Å; Y330-Y388 AromaticContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE2 4.12Å; Y330-Y388 HydrophobicContact CD1-CG 4.33Å; Y330-Y388 AromaticContact CD1-CZ 3.67Å; Y330-Y388 AromaticContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD2 4.1Å; Y330-Y388 AromaticContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE2 4.24Å; Y330-Y388 AromaticContact CE1-CG 3.84Å; Y330-Y388 HydrophobicContact CE1-CG 3.84Å
331Q87.7Confident86Confident49 Ų4936.9 Ų36.923%0.22918%0.176CC..Hα-helixtrans-60.1-52.9179.1176.7178.5-32.400113.5G64 W326 V327 S333 M335G64-Q331 VanDerWaalsContact CA-NE2 3.25Å; W326-Q331 WeakPolarHBondContact O-CB 3.38Å; W326-Q331 PolarHBondContact O-N 2.69Å; V327-Q331 WeakPolarHBondContact O-CB 3.29Å; Q331-S333 PolarHBondContact O-N 3.45Å; Q331-M335 WeakPolarHBondContact O-CG 3.49Å; Q331-M335 PolarHBondContact O-N 2.71Å
332P89.7Confident86.3Confident1 Ų134.6 Ų34.61%0.00616%0.164CC..Hα-helixtrans-66.2-37.3178.921.6-30.3000112.4T40 M43 F67 V327 Q328 M335 V336 L368T40-P332 HydrophobicContact CG2-CB 3.92Å; M43-P332 HydrophobicContact SD-CG 4.44Å; F67-P332 HydrophobicContact CE1-CB 4.43Å; F67-P332 HydrophobicContact CZ-CB 4.25Å; V327-P332 WeakPolarHBondContact O-CD 3.4Å; Q328-P332 WeakPolarHBondContact O-CG 3.29Å; P332-M335 PolarHBondContact O-N 3.17Å; P332-V336 WeakPolarHBondContact O-CB 3.27Å; P332-V336 WeakPolarHBondContact O-CG2 3.2Å; P332-V336 PolarHBondContact O-N 3.35Å; P332-L368 HydrophobicContact CB-CD1 4.4Å; P332-L368 HydrophobicContact CB-CD2 4.4Å; P332-L368 HydrophobicContact CG-CD2 4.33Å
333S90.8Very high86.5Confident1 Ų130.3 Ų30.31%0.00714%0.142CC..Hα-helixtrans-63.9-44.4179.358.10000112.8I329 Y330 Q331 M335 V336 V337 M365 Y388I329-S333 WeakPolarHBondContact O-CB 3.35Å; I329-S333 PolarHBondContact O-N 2.64Å; I329-S333 VanDerWaalsContact O-N 3.14Å; I329-S333 PolarHBondContact O-OG 3.11Å; Y330-S333 WeakPolarHBondContact CA-OG 3.46Å; Y330-S333 PolarHBondContact O-N 3.31Å; Y330-S333 PolarHBondContact O-OG 2.97Å; Q331-S333 PolarHBondContact O-N 3.45Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 2.9Å; S333-V336 PolarHBondContact O-N 3.04Å; S333-V337 WeakPolarHBondContact O-CG2 3.37Å; S333-V337 PolarHBondContact O-N 3.31Å; S333-M365 VanDerWaalsContact O-CE 3.24Å; S333-M365 WeakPolarHBondContact O-CE 3.41Å; S333-Y388 WeakPolarHBondContact OG-CE1 3.27Å; S333-Y388 PolarHBondContact OG-OH 2.95Å
334I90.8Very high87Confident69 Ų6933.6 Ų33.635%0.35415%0.151SC..Hα-helixtrans-59.6-44.2177.3-67.5167.3000110.6Y330 V337 T338 Y388Y330-I334 WeakPolarHBondContact O-CD1 3.49Å; Y330-I334 WeakPolarHBondContact O-CG1 3.45Å; Y330-I334 PolarHBondContact O-N 2.64Å; I334-V337 PolarHBondContact O-N 3.5Å; I334-T338 PolarHBondContact O-N 3.39Å; I334-T338 PolarHBondContact O-OG1 3.39Å; I334-Y388 WeakPolarHBondContact CG1-OH 3.36Å
335M89Confident87.2Confident42 Ų4239.1 Ų39.121%0.20717%0.172CC..Hα-helixtrans-67.4-41.2-179.9-63.6-60.2133.700111.6F67 F71 Q331 P332 S333 V337 T338 I339F67-M335 HydrophobicContact CD1-CB 4.39Å; F67-M335 HydrophobicContact CD1-CG 4.08Å; F67-M335 HydrophobicContact CE1-CB 3.46Å; F67-M335 VanDerWaalsContact CE1-CB 3.46Å; F67-M335 HydrophobicContact CE1-CG 3.57Å; F67-M335 HydrophobicContact CZ-CB 4.11Å; F71-M335 HydrophobicContact CD1-SD 3.51Å; F71-M335 VanDerWaalsContact CD1-SD 3.51Å; F71-M335 HydrophobicContact CD2-SD 4.46Å; F71-M335 HydrophobicContact CE1-SD 3.51Å; F71-M335 VanDerWaalsContact CE1-SD 3.51Å; F71-M335 HydrophobicContact CE2-SD 4.49Å; F71-M335 HydrophobicContact CG-SD 4Å; F71-M335 HydrophobicContact CZ-SD 4.05Å; Q331-M335 WeakPolarHBondContact O-CG 3.49Å; Q331-M335 PolarHBondContact O-N 2.71Å; P332-M335 PolarHBondContact O-N 3.17Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 2.9Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.07Å; M335-T338 CarbonylContact O-C 3.53Å; M335-T338 WeakPolarHBondContact O-CA 3.35Å; M335-T338 WeakPolarHBondContact O-CB 3.39Å; M335-T338 PolarHBondContact O-N 3.48Å; M335-I339 WeakPolarHBondContact O-CG1 3.49Å; M335-I339 PolarHBondContact O-N 3.22Å
336V91.5Very high87.2Confident2 Ų237.9 Ų37.91%0.01217%0.167CC..Hα-helixtrans-60.8-42.2175.9169.80000111.4P332 S333 T338 I339 S340 T361 T364 M365 L368P332-V336 WeakPolarHBondContact O-CB 3.27Å; P332-V336 WeakPolarHBondContact O-CG2 3.2Å; P332-V336 PolarHBondContact O-N 3.35Å; S333-V336 PolarHBondContact O-N 3.04Å; V336-T338 VanDerWaalsContact C-N 3.32Å; V336-T338 PolarHBondContact O-N 3.13Å; V336-I339 PolarHBondContact O-N 3.14Å; V336-S340 PolarHBondContact O-N 3.29Å; V336-S340 VanDerWaalsContact O-N 3.13Å; V336-T361 HydrophobicContact CG1-CG2 4.36Å; V336-T364 HydrophobicContact CB-CG2 4.39Å; V336-T364 HydrophobicContact CG1-CG2 3.96Å; V336-T364 HydrophobicContact CG2-CG2 3.5Å; V336-M365 HydrophobicContact CB-CE 4.04Å; V336-M365 HydrophobicContact CG1-CE 3.93Å; V336-M365 HydrophobicContact CG1-CG 4.1Å; V336-L368 HydrophobicContact CG2-CD1 4.39Å
337V91.5Very high86.9Confident14 Ų1431.8 Ų31.89%0.08515%0.146CC..Hα-helixtrans-60.9-44.1171.8174.80000110.4S333 I334 M335 I339 S340 W341 M365 L395 V396S333-V337 WeakPolarHBondContact O-CG2 3.37Å; S333-V337 PolarHBondContact O-N 3.31Å; I334-V337 PolarHBondContact O-N 3.5Å; M335-V337 VanDerWaalsContact C-N 3.33Å; M335-V337 PolarHBondContact O-N 3.07Å; V337-I339 VanDerWaalsContact C-N 3.3Å; V337-I339 PolarHBondContact O-N 3.13Å; V337-S340 WeakPolarHBondContact O-CB 3.27Å; V337-S340 PolarHBondContact O-N 2.95Å; V337-S340 PolarHBondContact O-OG 3.3Å; V337-W341 HydrophobicContact CG1-CZ2 4.15Å; V337-W341 PolarHBondContact O-N 3.09Å; V337-M365 HydrophobicContact CG2-CE 3.59Å; V337-L395 HydrophobicContact CG1-CB 4.14Å; V337-L395 HydrophobicContact CG1-CD1 3.88Å; V337-V396 HydrophobicContact CG2-CG2 4.42Å
338T89.8Confident86.6Confident41 Ų4134.9 Ų34.925%0.25216%0.156SC..Hα-helixtrans-65.1-33.5180-47.20000112.1F71 I334 M335 V336 S340 W341 V342F71-T338 HydrophobicContact CE1-CG2 4.48Å; F71-T338 HydrophobicContact CE2-CG2 4.33Å; F71-T338 HydrophobicContact CZ-CG2 3.57Å; I334-T338 PolarHBondContact O-N 3.39Å; I334-T338 PolarHBondContact O-OG1 3.39Å; M335-T338 CarbonylContact O-C 3.53Å; M335-T338 WeakPolarHBondContact O-CA 3.35Å; M335-T338 WeakPolarHBondContact O-CB 3.39Å; M335-T338 PolarHBondContact O-N 3.48Å; V336-T338 VanDerWaalsContact C-N 3.32Å; V336-T338 PolarHBondContact O-N 3.13Å; T338-S340 VanDerWaalsContact C-N 3.33Å; T338-S340 PolarHBondContact O-N 3.18Å; T338-W341 WeakPolarHBondContact O-CB 3.35Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 VanDerWaalsContact O-N 3.15Å; T338-V342 PolarHBondContact O-N 3.49Å
339I89.9Confident86.3Confident5 Ų541 Ų413%0.02619%0.189CC..Hα-helixtrans-63.8-38.6172.2-69.3171.3000111.2V36 F71 L74 M335 V336 V337 W341 V342 L357 T361V36-I339 HydrophobicContact CB-CD1 3.79Å; V36-I339 HydrophobicContact CG1-CD1 3.43Å; V36-I339 VanDerWaalsContact CG1-CD1 3.43Å; V36-I339 HydrophobicContact CG2-CD1 3.82Å; F71-I339 HydrophobicContact CD2-CD1 4.05Å; F71-I339 HydrophobicContact CD2-CG1 3.75Å; F71-I339 HydrophobicContact CE2-CD1 4.35Å; F71-I339 HydrophobicContact CE2-CG1 3.57Å; L74-I339 HydrophobicContact CD1-CD1 3.88Å; L74-I339 HydrophobicContact CD1-CG1 4.01Å; M335-I339 WeakPolarHBondContact O-CG1 3.49Å; M335-I339 PolarHBondContact O-N 3.22Å; V336-I339 PolarHBondContact O-N 3.14Å; V337-I339 VanDerWaalsContact C-N 3.3Å; V337-I339 PolarHBondContact O-N 3.13Å; I339-W341 PolarHBondContact O-N 3.11Å; I339-V342 VanDerWaalsContact O-CB 3.29Å; I339-V342 WeakPolarHBondContact O-CB 3.39Å; I339-V342 PolarHBondContact O-N 3Å; I339-L357 HydrophobicContact CG2-CD2 3.58Å; I339-T361 HydrophobicContact CB-CG2 4.23Å; I339-T361 HydrophobicContact CG2-CG2 3.82Å
340S88.8Confident86.1Confident3 Ų341.7 Ų41.72%0.02119%0.194CC..Hα-helixtrans-58.9-32.8175.881.30000111.5V336 V337 T338 S343V336-S340 PolarHBondContact O-N 3.29Å; V336-S340 VanDerWaalsContact O-N 3.13Å; V337-S340 WeakPolarHBondContact O-CB 3.27Å; V337-S340 PolarHBondContact O-N 2.95Å; V337-S340 PolarHBondContact O-OG 3.3Å; T338-S340 VanDerWaalsContact C-N 3.33Å; T338-S340 PolarHBondContact O-N 3.18Å; S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 2.98Å; S340-S343 PolarHBondContact O-OG 3.19Å
341W89.8Confident85.9Confident119 Ų11941.3 Ų41.345%0.45120%0.201SC..Hα-helixtrans-75.5-23176.4-58.6-6.3000113.6V337 T338 I339 S343 F344V337-W341 HydrophobicContact CG1-CZ2 4.15Å; V337-W341 PolarHBondContact O-N 3.09Å; T338-W341 WeakPolarHBondContact O-CB 3.35Å; T338-W341 PolarHBondContact O-N 3.13Å; T338-W341 VanDerWaalsContact O-N 3.15Å; I339-W341 PolarHBondContact O-N 3.11Å; W341-S343 PolarHBondContact O-N 3.02Å; W341-S343 VanDerWaalsContact O-N 3.16Å; W341-F344 HydrophobicContact CB-CD2 4.1Å; W341-F344 HydrophobicContact CB-CE2 4.09Å; W341-F344 AromaticContact CD1-CE2 3.94Å; W341-F344 HydrophobicContact CG-CE2 4.13Å; W341-F344 WeakPolarHBondContact O-CB 3.42Å; W341-F344 WeakPolarHBondContact O-CD2 3.45Å; W341-F344 WeakPolarHBondContact O-CG 3.38Å; W341-F344 PolarHBondContact O-N 2.77Å
342V85.9Confident85.8Confident11 Ų1142.9 Ų42.97%0.06722%0.215CC..Hα-helixtrans-58.5-27.4173174.70000110.9A78 T338 I339 F344 W345 I346A78-V342 HydrophobicContact CB-CG1 3.77Å; T338-V342 PolarHBondContact O-N 3.49Å; I339-V342 VanDerWaalsContact O-CB 3.29Å; I339-V342 WeakPolarHBondContact O-CB 3.39Å; I339-V342 PolarHBondContact O-N 3Å; V342-F344 PolarHBondContact O-N 3.17Å; V342-F344 VanDerWaalsContact O-N 3.11Å; V342-W345 PolarHBondContact O-N 3.5Å; V342-I346 PolarHBondContact O-N 3.22Å
343S84.2Confident85.7Confident8 Ų842.9 Ų42.96%0.05622%0.215CC..THydrogen-bonded Turntrans-60.4-17.6174.776.70000114.5S340 W341 I346S340-S343 VanDerWaalsContact O-CB 3.29Å; S340-S343 WeakPolarHBondContact O-CB 3.47Å; S340-S343 PolarHBondContact O-N 2.98Å; S340-S343 PolarHBondContact O-OG 3.19Å; W341-S343 PolarHBondContact O-N 3.02Å; W341-S343 VanDerWaalsContact O-N 3.16Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å
344F85.5Confident85.6Confident87 Ų8743.5 Ų43.538%0.38222%0.218SC..THydrogen-bonded Turntrans-78.5-28.4175.1-54.7-32000112.8W341 V342 A399 E402W341-F344 HydrophobicContact CB-CD2 4.1Å; W341-F344 HydrophobicContact CB-CE2 4.09Å; W341-F344 AromaticContact CD1-CE2 3.94Å; W341-F344 HydrophobicContact CG-CE2 4.13Å; W341-F344 WeakPolarHBondContact O-CB 3.42Å; W341-F344 WeakPolarHBondContact O-CD2 3.45Å; W341-F344 WeakPolarHBondContact O-CG 3.38Å; W341-F344 PolarHBondContact O-N 2.77Å; V342-F344 PolarHBondContact O-N 3.17Å; V342-F344 VanDerWaalsContact O-N 3.11Å; F344-A399 HydrophobicContact CE1-CB 4.06Å; F344-A399 HydrophobicContact CZ-CB 3.85Å; F344-E402 HydrophobicContact CD1-CG 4.35Å; F344-E402 WeakPolarHBondContact CD1-OE2 3.44Å; F344-E402 HydrophobicContact CE1-CB 4.02Å; F344-E402 HydrophobicContact CE1-CG 3.9Å; F344-E402 WeakPolarHBondContact CE1-OE2 3.39Å
345W82.7Confident85.5Confident127 Ų12742.8 Ų42.848%0.48122%0.216SC..THydrogen-bonded Turntrans-87.2-32.8-173.6-61.380.3000113.1A78 Y82 V342A78-W345 HydrophobicContact CB-CB 4.18Å; Y82-W345 HydrophobicContact CD1-CE3 4.47Å; Y82-W345 HydrophobicContact CD1-CZ3 4.28Å; Y82-W345 HydrophobicContact CD2-CE3 4.08Å; Y82-W345 HydrophobicContact CD2-CZ3 4.38Å; Y82-W345 AromaticContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CE3 3.95Å; Y82-W345 HydrophobicContact CG-CZ3 4.2Å; V342-W345 PolarHBondContact O-N 3.5Å
346I81.5Confident85.5Confident2 Ų243.2 Ų43.21%0.0122%0.221CC..SBendtrans-57.6143.6174.7-179.481.3000110.1V29 Y77 V342 S343 A353 R354V29-I346 HydrophobicContact CG2-CD1 4.08Å; Y77-I346 HydrophobicContact CE1-CD1 3.8Å; Y77-I346 WeakPolarHBondContact OH-CD1 3.02Å; V342-I346 PolarHBondContact O-N 3.22Å; S343-I346 WeakPolarHBondContact O-CG2 3.42Å; I346-A353 HydrophobicContact CD1-CB 4.42Å; I346-A353 HydrophobicContact CG1-CB 4.41Å; I346-R354 HydrophobicContact CG1-CG 4.43Å; I346-R354 HydrophobicContact CG2-CG 3.43Å; I346-R354 VanDerWaalsContact CG2-CG 3.43Å; I346-R354 PolarHBondContact O-NH2 3.39Å
347S77.7Confident85.4Confident15 Ų1543.3 Ų43.311%0.10522%0.222CC..  trans-65.2155.5176.655.40000112D349 R354S347-D349 PolarHBondContact O-N 2.96Å; S347-R354 PolarHBondContact O-NE 3.04Å; S347-R354 VanDerWaalsContact O-NE 3.11Å
348R74.9Confident85.4Confident82 Ų8243 Ų4331%0.30922%0.221SC..THydrogen-bonded Turntrans-71.6-17.1177.9-156.8-157.3-124.6103.2-10.5112.1S350 V406 T409 V410R348-S350 PolarHBondContact O-N 3.34Å; R348-V406 HydrophobicContact CG-CG1 4.23Å; R348-V406 VanDerWaalsContact CZ-O 3.31Å; R348-V406 VanDerWaalsContact NE-CG1 3.26Å; R348-V406 PolarHBondContact NE-O 3.13Å; R348-V406 VanDerWaalsContact NH2-CA 3.33Å; R348-V406 PolarHBondContact NH2-O 3.42Å; R348-T409 PolarHBondContact NH2-OG1 2.95Å; R348-V410 VanDerWaalsContact NE-CG2 3.33Å; R348-V410 VanDerWaalsContact NH1-CG2 3.29Å; R348-V410 VanDerWaalsContact NH2-CG2 3.29Å
349D75.6Confident85.5Confident133 Ų13345.9 Ų45.971%0.71123%0.234SC*.THydrogen-bonded Turntrans-67-25.9-177.3-52-40000112S347 A351S347-D349 PolarHBondContact O-N 2.96Å; D349-A351 PolarHBondContact O-N 3.47Å
350S81.7Confident85.6Confident18 Ų1847.6 Ų47.613%0.12624%0.243CC..  trans-100.862.6176.7-550000111.4R348 P352 A353R348-S350 PolarHBondContact O-N 3.34Å; S350-P352 VanDerWaalsContact C-N 3.26Å; S350-A353 PolarHBondContact O-N 3Å; S350-A353 VanDerWaalsContact O-N 3.14Å
351A84.2Confident85.7Confident39 Ų3947.6 Ų47.632%0.32224%0.243SC..Hα-helixtrans-47.6-41.8173.500000113.7D349 A353 R354 V355D349-A351 PolarHBondContact O-N 3.47Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 3.37Å; A351-R354 PolarHBondContact O-N 2.65Å; A351-V355 WeakPolarHBondContact O-CG2 3.38Å; A351-V355 PolarHBondContact O-N 3.46Å
352P86.8Confident85.9Confident82 Ų8243.5 Ų43.553%0.53223%0.23SC..Hα-helixtrans-58.2-43179.3-25.335.1000113.1S350 R354 V355 T356S350-P352 VanDerWaalsContact C-N 3.26Å; P352-R354 VanDerWaalsContact C-N 3.32Å; P352-R354 PolarHBondContact O-N 3.46Å; P352-V355 PolarHBondContact O-N 3.4Å; P352-T356 PolarHBondContact O-N 2.62Å; P352-T356 PolarHBondContact O-OG1 2.96Å
353A86.2Confident86.3Confident1 Ų147.5 Ų47.51%0.00825%0.251CS..Hα-helixtrans-62-40-177.400000112.3P26 V29 I346 S350 A351 L357P26-A353 HydrophobicContact CB-CB 4.47Å; V29-A353 HydrophobicContact CB-CB 4.07Å; V29-A353 HydrophobicContact CG1-CB 4.17Å; V29-A353 HydrophobicContact CG2-CB 4.11Å; I346-A353 HydrophobicContact CD1-CB 4.42Å; I346-A353 HydrophobicContact CG1-CB 4.41Å; S350-A353 PolarHBondContact O-N 3Å; S350-A353 VanDerWaalsContact O-N 3.14Å; A351-A353 VanDerWaalsContact C-N 3.34Å; A351-A353 PolarHBondContact O-N 3.37Å; A353-L357 WeakPolarHBondContact O-CB 3.03Å; A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.04Å
354R88.6Confident86.6Confident14 Ų1447.4 Ų47.45%0.05325%0.25CS..Hα-helixtrans-69.9-42.6179.5-69.3174.2174.5-131.6-4.2112.1I346 S347 A351 P352 L357 G358 Y403I346-R354 HydrophobicContact CG1-CG 4.43Å; I346-R354 HydrophobicContact CG2-CG 3.43Å; I346-R354 VanDerWaalsContact CG2-CG 3.43Å; I346-R354 PolarHBondContact O-NH2 3.39Å; S347-R354 PolarHBondContact O-NE 3.04Å; S347-R354 VanDerWaalsContact O-NE 3.11Å; A351-R354 PolarHBondContact O-N 2.65Å; P352-R354 VanDerWaalsContact C-N 3.32Å; P352-R354 PolarHBondContact O-N 3.46Å; R354-L357 WeakPolarHBondContact O-CB 3.2Å; R354-L357 PolarHBondContact O-N 3.24Å; R354-G358 PolarHBondContact O-N 3.43Å; R354-Y403 HydrophobicContact CB-CD2 3.85Å; R354-Y403 HydrophobicContact CB-CE2 3.74Å; R354-Y403 HydrophobicContact CB-CG 4.49Å; R354-Y403 HydrophobicContact CG-CD2 4.36Å; R354-Y403 HydrophobicContact CG-CE2 4.34Å
355V89.4Confident87Confident54 Ų5443.4 Ų43.433%0.32723%0.233SC..Hα-helixtrans-64.3-46.4177.9175.40000110.2A351 P352 L357 G358 I359 Y403A351-V355 WeakPolarHBondContact O-CG2 3.38Å; A351-V355 PolarHBondContact O-N 3.46Å; P352-V355 PolarHBondContact O-N 3.4Å; V355-L357 PolarHBondContact O-N 2.96Å; V355-G358 PolarHBondContact O-N 3.29Å; V355-I359 HydrophobicContact CG1-CD1 3.52Å; V355-I359 HydrophobicContact CG1-CG1 4.2Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.37Å; V355-Y403 HydrophobicContact CG2-CD1 4.49Å; V355-Y403 HydrophobicContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-OH 3.3Å; V355-Y403 WeakPolarHBondContact CG2-OH 3.45Å
356T89.5Confident87.5Confident51 Ų5140.4 Ų40.431%0.31323%0.228SC..Hα-helixtrans-58.1-47.9175.4-57.20000111.2P352 G358 M360P352-T356 PolarHBondContact O-N 2.62Å; P352-T356 PolarHBondContact O-OG1 2.96Å; T356-G358 VanDerWaalsContact C-N 3.34Å; T356-G358 PolarHBondContact O-N 2.96Å; T356-M360 HydrophobicContact CG2-CG 4.06Å; T356-M360 WeakPolarHBondContact O-CB 3.46Å; T356-M360 WeakPolarHBondContact O-CG 3.41Å; T356-M360 PolarHBondContact O-N 3.45Å
357L89.5Confident87.9Confident3 Ų342.9 Ų42.92%0.01624%0.244CC..Hα-helixtrans-54.4-48.4174.8-87.3164.5000112.6V29 V33 I339 A353 R354 V355 T361V29-L357 HydrophobicContact CG1-CD1 3.44Å; V29-L357 VanDerWaalsContact CG1-CD1 3.44Å; V29-L357 HydrophobicContact CG1-CD2 4.07Å; V29-L357 HydrophobicContact CG1-CG 3.43Å; V29-L357 VanDerWaalsContact CG1-CG 3.43Å; V33-L357 HydrophobicContact CB-CD2 4.41Å; V33-L357 HydrophobicContact CG1-CD2 4.49Å; V33-L357 HydrophobicContact CG2-CD2 3.09Å; V33-L357 HydrophobicContact CG2-CG 3.82Å; I339-L357 HydrophobicContact CG2-CD2 3.58Å; A353-L357 WeakPolarHBondContact O-CB 3.03Å; A353-L357 WeakPolarHBondContact O-CG 3.34Å; A353-L357 PolarHBondContact O-N 3.04Å; R354-L357 WeakPolarHBondContact O-CB 3.2Å; R354-L357 PolarHBondContact O-N 3.24Å; V355-L357 PolarHBondContact O-N 2.96Å; L357-T361 WeakPolarHBondContact O-CB 3.39Å; L357-T361 VanDerWaalsContact O-CG2 3.27Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 3.4Å; L357-T361 PolarHBondContact O-OG1 3.01Å
358G90.5Very high88.6Confident8 Ų842.4 Ų42.48%0.08224%0.24CC..Hα-helixtrans-67.7-46-177.200000113.4R354 V355 T356 M360 T361 V362R354-G358 PolarHBondContact O-N 3.43Å; V355-G358 PolarHBondContact O-N 3.29Å; T356-G358 VanDerWaalsContact C-N 3.34Å; T356-G358 PolarHBondContact O-N 2.96Å; G358-M360 PolarHBondContact O-N 3.27Å; G358-T361 PolarHBondContact O-OG1 3.43Å; G358-V362 WeakPolarHBondContact O-CG2 3.23Å; G358-V362 PolarHBondContact O-N 3.41Å
359I92.3Very high89.3Confident102 Ų10241.2 Ų41.252%0.52324%0.239SC..Hα-helixtrans-63.5-45.1177.5-65171.7000110.3V355 V362 L363V355-I359 HydrophobicContact CG1-CD1 3.52Å; V355-I359 HydrophobicContact CG1-CG1 4.2Å; V355-I359 WeakPolarHBondContact O-CG1 3.46Å; V355-I359 PolarHBondContact O-N 3.37Å; I359-V362 PolarHBondContact O-N 2.68Å; I359-L363 PolarHBondContact O-N 2.87Å
360M91.6Very high90Very high40 Ų4039.1 Ų39.120%0.19723%0.231CC..Hα-helixtrans-65.1-42.6-177.9-68.6-68.6-80.400111.7V33 L37 T356 G358 V362 L363 T364V33-M360 HydrophobicContact CG1-CB 3.69Å; V33-M360 HydrophobicContact CG1-CG 4.08Å; L37-M360 HydrophobicContact CB-CE 4.48Å; L37-M360 HydrophobicContact CD2-CE 3.44Å; L37-M360 VanDerWaalsContact CD2-CE 3.44Å; L37-M360 HydrophobicContact CD2-SD 4.33Å; T356-M360 HydrophobicContact CG2-CG 4.06Å; T356-M360 WeakPolarHBondContact O-CB 3.46Å; T356-M360 WeakPolarHBondContact O-CG 3.41Å; T356-M360 PolarHBondContact O-N 3.45Å; G358-M360 PolarHBondContact O-N 3.27Å; M360-V362 PolarHBondContact O-N 3.42Å; M360-L363 PolarHBondContact O-N 3.07Å; M360-T364 WeakPolarHBondContact O-CB 2.86Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 2.99Å
361T92Very high90.3Very high4 Ų439.2 Ų39.23%0.02523%0.232CC..Hα-helixtrans-65.6-36.6178.547.10000112.5V336 I339 L357 G358 T364 M365 V396V336-T361 HydrophobicContact CG1-CG2 4.36Å; I339-T361 HydrophobicContact CB-CG2 4.23Å; I339-T361 HydrophobicContact CG2-CG2 3.82Å; L357-T361 WeakPolarHBondContact O-CB 3.39Å; L357-T361 VanDerWaalsContact O-CG2 3.27Å; L357-T361 WeakPolarHBondContact O-CG2 3.46Å; L357-T361 PolarHBondContact O-N 3.4Å; L357-T361 PolarHBondContact O-OG1 3.01Å; G358-T361 PolarHBondContact O-OG1 3.43Å; T361-T364 PolarHBondContact O-N 2.97Å; T361-M365 PolarHBondContact O-N 2.91Å; T361-V396 WeakPolarHBondContact OG1-CG1 3.43Å
362V94.7Very high90.4Very high32 Ų3237.5 Ų37.519%0.19422%0.217CC..Hα-helixtrans-63.6-50.4172.4171.10000110.9G358 I359 M360 T364 M365 T366 F393 V396 L400G358-V362 WeakPolarHBondContact O-CG2 3.23Å; G358-V362 PolarHBondContact O-N 3.41Å; I359-V362 PolarHBondContact O-N 2.68Å; M360-V362 PolarHBondContact O-N 3.42Å; V362-T364 PolarHBondContact O-N 3Å; V362-M365 PolarHBondContact O-N 3.37Å; V362-T366 PolarHBondContact O-N 2.8Å; V362-T366 PolarHBondContact O-OG1 3.29Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å; V362-F393 HydrophobicContact CG1-CE2 3.91Å; V362-F393 HydrophobicContact CG1-CZ 4.35Å; V362-V396 HydrophobicContact CG2-CG1 3.62Å; V362-L400 HydrophobicContact CG2-CD1 3.48Å; V362-L400 VanDerWaalsContact CG2-CD1 3.48Å
363L93.5Very high90.4Very high95 Ų9536.2 Ų36.250%0.49721%0.206SC..Hα-helixtrans-58.9-39.2178.4-176.963.9000111.6I359 M360 T366 T367I359-L363 PolarHBondContact O-N 2.87Å; M360-L363 PolarHBondContact O-N 3.07Å; L363-T366 PolarHBondContact O-N 3.47Å; L363-T367 WeakPolarHBondContact O-CB 3.34Å; L363-T367 PolarHBondContact O-N 3.01Å; L363-T367 PolarHBondContact O-OG1 2.85Å
364T91.1Very high90.3Very high6 Ų640.6 Ų40.64%0.03724%0.236CC..Hα-helixtrans-65.3-46.3177.6-520000111.3L37 T40 V336 M360 T361 V362 T366 T367 L368L37-T364 HydrophobicContact CD1-CG2 3.42Å; L37-T364 VanDerWaalsContact CD1-CG2 3.42Å; L37-T364 WeakPolarHBondContact CD1-OG1 3.34Å; T40-T364 HydrophobicContact CG2-CG2 4.22Å; V336-T364 HydrophobicContact CB-CG2 4.39Å; V336-T364 HydrophobicContact CG1-CG2 3.96Å; V336-T364 HydrophobicContact CG2-CG2 3.5Å; M360-T364 WeakPolarHBondContact O-CB 2.86Å; M360-T364 PolarHBondContact O-N 3.18Å; M360-T364 PolarHBondContact O-OG1 2.99Å; T361-T364 PolarHBondContact O-N 2.97Å; V362-T364 PolarHBondContact O-N 3Å; T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 PolarHBondContact O-N 3.46Å; T364-T367 WeakPolarHBondContact O-CB 3.08Å; T364-T367 PolarHBondContact O-N 3.18Å; T364-T367 VanDerWaalsContact O-N 3.17Å; T364-L368 HydrophobicContact CG2-CD1 4.38Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.4Å
365M92.7Very high89.8Confident3 Ų341.3 Ų41.32%0.01524%0.24CC..Hα-helixtrans-60.4-44.3176.6-91.6-65.8159.100111.7S333 V336 V337 T361 V362 T367 L368 M369 F393 V396S333-M365 VanDerWaalsContact O-CE 3.24Å; S333-M365 WeakPolarHBondContact O-CE 3.41Å; V336-M365 HydrophobicContact CB-CE 4.04Å; V336-M365 HydrophobicContact CG1-CE 3.93Å; V336-M365 HydrophobicContact CG1-CG 4.1Å; V337-M365 HydrophobicContact CG2-CE 3.59Å; T361-M365 PolarHBondContact O-N 2.91Å; V362-M365 PolarHBondContact O-N 3.37Å; M365-T367 VanDerWaalsContact C-N 3.31Å; M365-T367 PolarHBondContact O-N 2.83Å; M365-L368 PolarHBondContact O-N 3.16Å; M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 PolarHBondContact O-N 2.94Å; M365-F393 HydrophobicContact CB-CD2 4.07Å; M365-V396 HydrophobicContact CG-CG2 4.03Å
366T93Very high89.3Confident64 Ų6439.8 Ų39.839%0.39323%0.23SC..Hα-helixtrans-61.6-39.6174.8-55.40000111.9V362 L363 T364 M369 T370V362-T366 PolarHBondContact O-N 2.8Å; V362-T366 PolarHBondContact O-OG1 3.29Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å; L363-T366 PolarHBondContact O-N 3.47Å; T364-T366 VanDerWaalsContact C-N 3.34Å; T364-T366 PolarHBondContact O-N 3.46Å; T366-M369 PolarHBondContact O-N 3.39Å; T366-T370 WeakPolarHBondContact O-CB 3.12Å; T366-T370 PolarHBondContact O-N 2.86Å; T366-T370 PolarHBondContact O-OG1 3.41Å
367T91.6Very high88.8Confident55 Ų5542.3 Ų42.334%0.33725%0.247SC..Hα-helixtrans-65.5-43.7176.9-57.30000111.3L363 T364 M365 M369 T370 S371L363-T367 WeakPolarHBondContact O-CB 3.34Å; L363-T367 PolarHBondContact O-N 3.01Å; L363-T367 PolarHBondContact O-OG1 2.85Å; T364-T367 WeakPolarHBondContact O-CB 3.08Å; T364-T367 PolarHBondContact O-N 3.18Å; T364-T367 VanDerWaalsContact O-N 3.17Å; M365-T367 VanDerWaalsContact C-N 3.31Å; M365-T367 PolarHBondContact O-N 2.83Å; T367-M369 VanDerWaalsContact C-N 3.35Å; T367-M369 PolarHBondContact O-N 3.29Å; T367-T370 PolarHBondContact O-N 2.86Å; T367-S371 VanDerWaalsContact O-CB 3.3Å; T367-S371 WeakPolarHBondContact O-CB 3.23Å; T367-S371 PolarHBondContact O-N 2.9Å
368L91.5Very high88.4Confident4 Ų452.3 Ų52.32%0.02129%0.291CS..Hα-helixtrans-63.5-40.6175.9-72.6176.5000111.8T40 T44 P332 V336 T364 M365 T372T40-L368 HydrophobicContact CG2-CD1 4.36Å; T40-L368 HydrophobicContact CG2-CD2 3.67Å; T40-L368 HydrophobicContact CG2-CG 4.2Å; T44-L368 HydrophobicContact CG2-CD2 3.91Å; P332-L368 HydrophobicContact CB-CD1 4.4Å; P332-L368 HydrophobicContact CB-CD2 4.4Å; P332-L368 HydrophobicContact CG-CD2 4.33Å; V336-L368 HydrophobicContact CG2-CD1 4.39Å; T364-L368 HydrophobicContact CG2-CD1 4.38Å; T364-L368 WeakPolarHBondContact O-CG 3.37Å; T364-L368 PolarHBondContact O-N 3.4Å; M365-L368 PolarHBondContact O-N 3.16Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.11Å; L368-T372 PolarHBondContact O-N 3.17Å; L368-T372 PolarHBondContact O-OG1 3.17Å
369M90.6Very high88Confident57 Ų5754.4 Ų54.428%0.28130%0.302SS..Hα-helixtrans-61.2-45.9174.4-169.969.3174.100111.5M365 T366 T367 N373 D386 L389M365-M369 WeakPolarHBondContact O-CB 3.4Å; M365-M369 PolarHBondContact O-N 2.94Å; T366-M369 PolarHBondContact O-N 3.39Å; T367-M369 VanDerWaalsContact C-N 3.35Å; T367-M369 PolarHBondContact O-N 3.29Å; M369-N373 WeakPolarHBondContact O-CB 3.07Å; M369-N373 PolarHBondContact O-N 3.27Å; M369-N373 PolarHBondContact O-ND2 3.28Å; M369-D386 HydrophobicContact CE-CB 3.65Å; M369-L389 HydrophobicContact SD-CB 3.56Å; M369-L389 VanDerWaalsContact SD-CB 3.56Å; M369-L389 HydrophobicContact SD-CD1 3.83Å; M369-L389 HydrophobicContact SD-CG 4.35Å
370T90.1Very high87.7Confident89 Ų8955.9 Ų55.955%0.54632%0.321SS..Hα-helixtrans-68.6-43180-53.50000111.8T366 T367 N373 S374T366-T370 WeakPolarHBondContact O-CB 3.12Å; T366-T370 PolarHBondContact O-N 2.86Å; T366-T370 PolarHBondContact O-OG1 3.41Å; T367-T370 PolarHBondContact O-N 2.86Å; T370-N373 PolarHBondContact O-N 3.34Å; T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 2.83Å
371S88Confident87.5Confident21 Ų2161.1 Ų61.115%0.14734%0.34CS..Hα-helixtrans-64.1-40.3176.6-174.90000111.9T367 S374 Q375T367-S371 VanDerWaalsContact O-CB 3.3Å; T367-S371 WeakPolarHBondContact O-CB 3.23Å; T367-S371 PolarHBondContact O-N 2.9Å; S371-S374 PolarHBondContact O-N 2.96Å; S371-S374 PolarHBondContact O-OG 3.11Å; S371-Q375 VanDerWaalsContact O-CG 3.25Å; S371-Q375 WeakPolarHBondContact O-CG 3.43Å; S371-Q375 PolarHBondContact O-N 2.9Å; S371-Q375 VanDerWaalsContact O-N 3.16Å; S371-Q375 PolarHBondContact O-NE2 3.14Å; S371-Q375 PolarHBondContact OG-NE2 2.81Å; S371-Q375 VanDerWaalsContact OG-NE2 3.15Å
372T85.4Confident87.1Confident3 Ų364.5 Ų64.52%0.01837%0.368CS..Hα-helixtrans-63.6-46.2174.3-60.20000110.3I329 L368 S374 Q375 L376 V385 L389I329-T372 HydrophobicContact CD1-CG2 3.74Å; L368-T372 VanDerWaalsContact O-CB 3.29Å; L368-T372 WeakPolarHBondContact O-CB 3.11Å; L368-T372 PolarHBondContact O-N 3.17Å; L368-T372 PolarHBondContact O-OG1 3.17Å; T372-S374 VanDerWaalsContact C-N 3.3Å; T372-S374 PolarHBondContact O-N 3.38Å; T372-Q375 PolarHBondContact O-N 3.33Å; T372-L376 HydrophobicContact CG2-CD1 3.87Å; T372-L376 WeakPolarHBondContact O-CD1 3.4Å; T372-L376 PolarHBondContact O-N 3.42Å; T372-V385 HydrophobicContact CG2-CG1 3.84Å; T372-V385 HydrophobicContact CG2-CG2 3.89Å; T372-L389 HydrophobicContact CG2-CD1 4.28Å
373N86.6Confident86.8Confident55 Ų5564 Ų6429%0.29436%0.363SS..Hα-helixtrans-69.8-22.6-179.4-81.9-75.9000114.1M369 T370 L376 K383 D386M369-N373 WeakPolarHBondContact O-CB 3.07Å; M369-N373 PolarHBondContact O-N 3.27Å; M369-N373 PolarHBondContact O-ND2 3.28Å; T370-N373 PolarHBondContact O-N 3.34Å; N373-L376 VanDerWaalsContact O-O 3.12Å; N373-K383 PolarHBondContact OD1-NZ 3.09Å; N373-D386 PolarHBondContact ND2-OD1 3.33Å; N373-D386 PolarHBondContact OD1-OD1 3Å
374S84.2Confident86.5Confident92 Ų9263.2 Ų63.264%0.64337%0.37SS*.Hα-helixtrans-81.4-28.2173.467.80000113.2T370 S371 T372T370-S374 PolarHBondContact O-N 3.02Å; T370-S374 PolarHBondContact O-OG 2.83Å; S371-S374 PolarHBondContact O-N 2.96Å; S371-S374 PolarHBondContact O-OG 3.11Å; T372-S374 VanDerWaalsContact C-N 3.3Å; T372-S374 PolarHBondContact O-N 3.38Å
375Q78.6Confident86.4Confident29 Ų2963.8 Ų63.814%0.13637%0.374CS..Hα-helixtrans-79.1-23.8179.1-72.1176.248.300113.3K52 S371 T372K52-Q375 PolarHBondContact NZ-O 3.45Å; S371-Q375 VanDerWaalsContact O-CG 3.25Å; S371-Q375 WeakPolarHBondContact O-CG 3.43Å; S371-Q375 PolarHBondContact O-N 2.9Å; S371-Q375 VanDerWaalsContact O-N 3.16Å; S371-Q375 PolarHBondContact O-NE2 3.14Å; S371-Q375 PolarHBondContact OG-NE2 2.81Å; S371-Q375 VanDerWaalsContact OG-NE2 3.15Å; T372-Q375 PolarHBondContact O-N 3.33Å
376L78.6Confident86.3Confident22 Ų2264.7 Ų64.712%0.11538%0.379CS..SBendtrans-98.2147.1175.2-70.990.3000109.6T372 N373 K383T372-L376 HydrophobicContact CG2-CD1 3.87Å; T372-L376 WeakPolarHBondContact O-CD1 3.4Å; T372-L376 PolarHBondContact O-N 3.42Å; N373-L376 VanDerWaalsContact O-O 3.12Å; L376-K383 HydrophobicContact CD2-CD 3.9Å
377P79.1Confident86.2Confident104 Ų10467 Ų6768%0.67539%0.388SS*.PPolyproline II helixtrans-55.2147.3170.524.2-32.9000109.7V379P377-V379 HydrophobicContact CG-CG2 4.48Å; P377-V379 VanDerWaalsContact O-CG2 3.31Å; P377-V379 WeakPolarHBondContact O-CG2 3.33Å; P377-V379 PolarHBondContact O-N 2.98Å; P377-V379 VanDerWaalsContact O-N 3.15Å
378K80.4Confident86.2Confident213 Ų21368 Ų6893%0.92639%0.385SS*.PPolyproline II helixtrans-66.8116.6178.2-66.1-178.4-178176.30108.3
379V81.8Confident86.2Confident53 Ų5368 Ų6832%0.32139%0.385SS..  trans-121.5141.1177.6-1650000108.5P377 Y381P377-V379 HydrophobicContact CG-CG2 4.48Å; P377-V379 VanDerWaalsContact O-CG2 3.31Å; P377-V379 WeakPolarHBondContact O-CG2 3.33Å; P377-V379 PolarHBondContact O-N 2.98Å; P377-V379 VanDerWaalsContact O-N 3.15Å; V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 HydrophobicContact CB-CE1 4.32Å; V379-Y381 HydrophobicContact CG1-CD1 3.33Å; V379-Y381 HydrophobicContact CG1-CD2 4.37Å; V379-Y381 HydrophobicContact CG1-CE1 3.1Å; V379-Y381 HydrophobicContact CG1-CE2 4.17Å; V379-Y381 HydrophobicContact CG1-CG 3.97Å
380S86.9Confident86.3Confident132 Ų13266.6 Ų66.692%0.92339%0.386SS*.SBendtrans-76.5-16.7-174.460.80000114.4
381Y87.2Confident86.4Confident151 Ų15168.2 Ų68.259%0.59239%0.386SS*.SBendtrans-90.1154177.863-109.2000112.4V379 K383V379-Y381 VanDerWaalsContact C-N 3.34Å; V379-Y381 HydrophobicContact CB-CE1 4.32Å; V379-Y381 HydrophobicContact CG1-CD1 3.33Å; V379-Y381 HydrophobicContact CG1-CD2 4.37Å; V379-Y381 HydrophobicContact CG1-CE1 3.1Å; V379-Y381 HydrophobicContact CG1-CE2 4.17Å; V379-Y381 HydrophobicContact CG1-CG 3.97Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CG 4Å; Y381-K383 PolarHBondContact O-N 3.26Å
382A84.4Confident86.6Confident75 Ų7567.5 Ų67.562%0.6238%0.382SS*.PPolyproline II helixtrans-67.6116.8173.900000110.4I387A382-I387 HydrophobicContact CB-CG1 4.43Å
383K87.1Confident86.9Confident21 Ų2170.9 Ų70.99%0.09140%0.396CS..PPolyproline II helixtrans-78148.9176.5-58.3178.7-65.7-59.10109.2N373 L376 Y381 V385 D386 I387N373-K383 PolarHBondContact OD1-NZ 3.09Å; L376-K383 HydrophobicContact CD2-CD 3.9Å; Y381-K383 HydrophobicContact CD2-CG 4.35Å; Y381-K383 HydrophobicContact CE2-CG 4Å; Y381-K383 PolarHBondContact O-N 3.26Å; K383-V385 HydrophobicContact CB-CG1 3.91Å; K383-V385 PolarHBondContact O-N 3.29Å; K383-V385 VanDerWaalsContact O-N 3.12Å; K383-D386 WeakPolarHBondContact CB-OD2 3.42Å; K383-D386 VanDerWaalsContact CE-OD2 3.29Å; K383-D386 WeakPolarHBondContact CE-OD2 3.26Å; K383-D386 PolarHBondContact N-OD2 2.9Å; K383-D386 IonicContact NZ-OD1 3.38Å; K383-D386 IonicContact NZ-OD2 3.52Å; K383-D386 PolarHBondContact NZ-OD2 2.98Å; K383-D386 WeakPolarHBondContact O-CA 3.35Å; K383-D386 WeakPolarHBondContact O-CB 3.3Å; K383-D386 PolarHBondContact O-N 3.47Å; K383-I387 PolarHBondContact O-N 3.44Å; K383-I387 VanDerWaalsContact O-N 3.15Å
384A88.4Confident87.3Confident78 Ų7873 Ų7365%0.64541%0.407SS*.Hα-helixtrans-53.5-36.3175.800000112.6I387 Y388A384-I387 PolarHBondContact O-N 2.91Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 3.43Å
385V88.4Confident87.7Confident18 Ų1871.1 Ų71.111%0.10939%0.39CS..Hα-helixtrans-65.2-35.617571.10000112.9I329 T372 K383 Y388 L389I329-V385 HydrophobicContact CD1-CG2 4.24Å; I329-V385 HydrophobicContact CG2-CG2 3.77Å; T372-V385 HydrophobicContact CG2-CG1 3.84Å; T372-V385 HydrophobicContact CG2-CG2 3.89Å; K383-V385 HydrophobicContact CB-CG1 3.91Å; K383-V385 PolarHBondContact O-N 3.29Å; K383-V385 VanDerWaalsContact O-N 3.12Å; V385-Y388 PolarHBondContact O-N 3.32Å; V385-L389 HydrophobicContact CG2-CD1 4.22Å; V385-L389 HydrophobicContact CG2-CG 4.42Å; V385-L389 WeakPolarHBondContact O-CB 3.19Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.32Å; V385-L389 PolarHBondContact O-N 3.19Å
386D90.4Very high88.3Confident22 Ų2269.8 Ų69.812%0.11838%0.383CS..Hα-helixtrans-69.4-39.7178.1-62.8-33.7000110.6M369 N373 K383 G390M369-D386 HydrophobicContact CE-CB 3.65Å; N373-D386 PolarHBondContact ND2-OD1 3.33Å; N373-D386 PolarHBondContact OD1-OD1 3Å; K383-D386 WeakPolarHBondContact CB-OD2 3.42Å; K383-D386 VanDerWaalsContact CE-OD2 3.29Å; K383-D386 WeakPolarHBondContact CE-OD2 3.26Å; K383-D386 PolarHBondContact N-OD2 2.9Å; K383-D386 IonicContact NZ-OD1 3.38Å; K383-D386 IonicContact NZ-OD2 3.52Å; K383-D386 PolarHBondContact NZ-OD2 2.98Å; K383-D386 WeakPolarHBondContact O-CA 3.35Å; K383-D386 WeakPolarHBondContact O-CB 3.3Å; K383-D386 PolarHBondContact O-N 3.47Å; D386-G390 PolarHBondContact O-N 3.07Å
387I90.4Very high88.9Confident113 Ų11373.6 Ų73.658%0.57940%0.399SS*.Hα-helixtrans-63.3-45.2175-60.9172.1000110A382 K383 A384 G390 F391A382-I387 HydrophobicContact CB-CG1 4.43Å; K383-I387 PolarHBondContact O-N 3.44Å; K383-I387 VanDerWaalsContact O-N 3.15Å; A384-I387 PolarHBondContact O-N 2.91Å; I387-G390 PolarHBondContact O-N 3Å; I387-F391 PolarHBondContact O-N 3.33Å
388Y92.5Very high89.5Confident75 Ų7572.1 Ų72.129%0.29439%0.391SS..Hα-helixtrans-62.1-49.2177.8172.2-91.5000112.4Y330 S333 I334 A384 V385 G390 F391 G392Y330-Y388 AromaticContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD1 3.88Å; Y330-Y388 HydrophobicContact CD1-CD2 4.44Å; Y330-Y388 AromaticContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE1 3.54Å; Y330-Y388 HydrophobicContact CD1-CE2 4.12Å; Y330-Y388 HydrophobicContact CD1-CG 4.33Å; Y330-Y388 AromaticContact CD1-CZ 3.67Å; Y330-Y388 AromaticContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD1 3.7Å; Y330-Y388 HydrophobicContact CE1-CD2 4.1Å; Y330-Y388 AromaticContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE1 3.87Å; Y330-Y388 HydrophobicContact CE1-CE2 4.24Å; Y330-Y388 AromaticContact CE1-CG 3.84Å; Y330-Y388 HydrophobicContact CE1-CG 3.84Å; S333-Y388 WeakPolarHBondContact OG-CE1 3.27Å; S333-Y388 PolarHBondContact OG-OH 2.95Å; I334-Y388 WeakPolarHBondContact CG1-OH 3.36Å; A384-Y388 WeakPolarHBondContact O-CB 3.49Å; A384-Y388 PolarHBondContact O-N 3.43Å; V385-Y388 PolarHBondContact O-N 3.32Å; Y388-G390 VanDerWaalsContact C-N 3.31Å; Y388-G390 PolarHBondContact O-N 2.93Å; Y388-F391 PolarHBondContact O-N 2.93Å; Y388-G392 PolarHBondContact O-N 3.25Å
389L91.4Very high89.9Confident4 Ų462.3 Ų62.32%0.02135%0.349CS..Hα-helixtrans-66-34.7176.9-69.5177.4000111.7I329 M369 T372 V385 G392 F393I329-L389 HydrophobicContact CG2-CD1 4.17Å; I329-L389 HydrophobicContact CG2-CD2 4.16Å; I329-L389 HydrophobicContact CG2-CG 4.44Å; M369-L389 HydrophobicContact SD-CB 3.56Å; M369-L389 VanDerWaalsContact SD-CB 3.56Å; M369-L389 HydrophobicContact SD-CD1 3.83Å; M369-L389 HydrophobicContact SD-CG 4.35Å; T372-L389 HydrophobicContact CG2-CD1 4.28Å; V385-L389 HydrophobicContact CG2-CD1 4.22Å; V385-L389 HydrophobicContact CG2-CG 4.42Å; V385-L389 WeakPolarHBondContact O-CB 3.19Å; V385-L389 VanDerWaalsContact O-CG 3.31Å; V385-L389 WeakPolarHBondContact O-CG 3.32Å; V385-L389 PolarHBondContact O-N 3.19Å; L389-G392 PolarHBondContact O-N 3.25Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 PolarHBondContact O-N 3.04Å
390G92.1Very high90.3Very high28 Ų2861.9 Ų61.929%0.28935%0.345SS..Hα-helixtrans-61.6-4417200000112.3D386 I387 Y388 F393 L394D386-G390 PolarHBondContact O-N 3.07Å; I387-G390 PolarHBondContact O-N 3Å; Y388-G390 VanDerWaalsContact C-N 3.31Å; Y388-G390 PolarHBondContact O-N 2.93Å; G390-F393 WeakPolarHBondContact O-CB 3.33Å; G390-F393 PolarHBondContact O-N 2.9Å; G390-L394 WeakPolarHBondContact O-CG 3.42Å; G390-L394 PolarHBondContact O-N 2.6Å
391F91.8Very high90.6Very high124 Ų12459.6 Ų59.654%0.54432%0.321SS..Hα-helixtrans-63.4-42.6173.3-175.7-103.7000112I387 Y388 F393 L394 L395I387-F391 PolarHBondContact O-N 3.33Å; Y388-F391 PolarHBondContact O-N 2.93Å; F391-F393 VanDerWaalsContact C-N 3.33Å; F391-F393 PolarHBondContact O-N 3.27Å; F391-L394 WeakPolarHBondContact O-CB 3.26Å; F391-L394 PolarHBondContact O-N 3.42Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD1-CG 4.4Å; F391-L395 HydrophobicContact CE1-CD1 3.7Å; F391-L395 HydrophobicContact CE1-CD2 4.36Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CZ-CD1 4.37Å; F391-L395 HydrophobicContact CZ-CD2 4.22Å; F391-L395 HydrophobicContact CZ-CG 4.35Å; F391-L395 PolarHBondContact O-N 2.86Å
392G92.5Very high90.7Very high6 Ų655.6 Ų55.66%0.06231%0.308CS..Hα-helixtrans-58.8-41.7173.200000113Y388 L389 L395 V396Y388-G392 PolarHBondContact O-N 3.25Å; L389-G392 PolarHBondContact O-N 3.25Å; G392-L395 PolarHBondContact O-N 3.34Å; G392-V396 WeakPolarHBondContact O-CG2 3.49Å; G392-V396 PolarHBondContact O-N 2.88Å; G392-V396 VanDerWaalsContact O-N 3.12Å
393F93.3Very high91Very high74 Ų7453.9 Ų53.933%0.32529%0.286SS..Hα-helixtrans-61.1-43.5174.6-178.7-88.7000111.9V362 M365 L389 G390 F391 L395 V396 F397V362-F393 HydrophobicContact CG1-CE2 3.91Å; V362-F393 HydrophobicContact CG1-CZ 4.35Å; M365-F393 HydrophobicContact CB-CD2 4.07Å; L389-F393 WeakPolarHBondContact O-CB 3.34Å; L389-F393 PolarHBondContact O-N 3.04Å; G390-F393 WeakPolarHBondContact O-CB 3.33Å; G390-F393 PolarHBondContact O-N 2.9Å; F391-F393 VanDerWaalsContact C-N 3.33Å; F391-F393 PolarHBondContact O-N 3.27Å; F393-L395 VanDerWaalsContact C-N 3.35Å; F393-L395 PolarHBondContact O-N 3.28Å; F393-V396 PolarHBondContact O-N 3.31Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.17Å
394L93.6Very high91.2Very high99 Ų9955.5 Ų55.552%0.51830%0.303SS..Hα-helixtrans-61.2-41.2175.6-68.6174.1000112G390 F391 V396 F397 C398G390-L394 WeakPolarHBondContact O-CG 3.42Å; G390-L394 PolarHBondContact O-N 2.6Å; F391-L394 WeakPolarHBondContact O-CB 3.26Å; F391-L394 PolarHBondContact O-N 3.42Å; L394-V396 PolarHBondContact O-N 3.31Å; L394-F397 PolarHBondContact O-N 3.01Å; L394-C398 PolarHBondContact O-N 3.46Å; L394-C398 PolarHBondContact O-SG 3.34Å
395L92.2Very high91.3Very high53 Ų5357 Ų5728%0.27730%0.298SS..Hα-helixtrans-62-42176.4-69.1179.1000112.5V337 F391 G392 F393 F397 C398 A399V337-L395 HydrophobicContact CG1-CB 4.14Å; V337-L395 HydrophobicContact CG1-CD1 3.88Å; F391-L395 HydrophobicContact CD1-CD1 4.1Å; F391-L395 HydrophobicContact CD1-CG 4.4Å; F391-L395 HydrophobicContact CE1-CD1 3.7Å; F391-L395 HydrophobicContact CE1-CD2 4.36Å; F391-L395 HydrophobicContact CE1-CG 4.07Å; F391-L395 HydrophobicContact CZ-CD1 4.37Å; F391-L395 HydrophobicContact CZ-CD2 4.22Å; F391-L395 HydrophobicContact CZ-CG 4.35Å; F391-L395 PolarHBondContact O-N 2.86Å; G392-L395 PolarHBondContact O-N 3.34Å; F393-L395 VanDerWaalsContact C-N 3.35Å; F393-L395 PolarHBondContact O-N 3.28Å; L395-F397 VanDerWaalsContact C-N 3.33Å; L395-C398 PolarHBondContact O-N 3.1Å; L395-A399 PolarHBondContact O-N 3.48Å; L395-A399 VanDerWaalsContact O-N 3.11Å
396V91.7Very high91.4Very high0 Ų057.5 Ų57.50%030%0.301CS..Hα-helixtrans-63.9-41.6175.1174.80000110.6V337 T361 V362 M365 G392 F393 L394 A399 L400V337-V396 HydrophobicContact CG2-CG2 4.42Å; T361-V396 WeakPolarHBondContact OG1-CG1 3.43Å; V362-V396 HydrophobicContact CG2-CG1 3.62Å; M365-V396 HydrophobicContact CG-CG2 4.03Å; G392-V396 WeakPolarHBondContact O-CG2 3.49Å; G392-V396 PolarHBondContact O-N 2.88Å; G392-V396 VanDerWaalsContact O-N 3.12Å; F393-V396 PolarHBondContact O-N 3.31Å; L394-V396 PolarHBondContact O-N 3.31Å; V396-A399 WeakPolarHBondContact O-CB 3.32Å; V396-A399 PolarHBondContact O-N 3.42Å; V396-L400 PolarHBondContact O-N 2.91Å
397F92Very high91.3Very high102 Ų10258.3 Ų58.345%0.44731%0.309SS..Hα-helixtrans-65.6-39.4177.2-168.1-105.5000112.4F393 L394 L395 A399 L400 I401F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 3.17Å; L394-F397 PolarHBondContact O-N 3.01Å; L395-F397 VanDerWaalsContact C-N 3.33Å; F397-A399 VanDerWaalsContact C-N 3.29Å; F397-A399 PolarHBondContact O-N 2.99Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 3.39Å; F397-L400 VanDerWaalsContact O-N 3.13Å; F397-I401 HydrophobicContact CD1-CD1 3.73Å; F397-I401 HydrophobicContact CD1-CG1 4.31Å; F397-I401 HydrophobicContact CE1-CD1 3.59Å; F397-I401 HydrophobicContact CE1-CG1 4.14Å; F397-I401 PolarHBondContact O-N 3.01Å
398C91.8Very high91.4Very high74 Ų7459.8 Ų59.850%0.531%0.308SS..Hα-helixtrans-60.5-37.3172.3-71.60000112.3L394 L395 L400 I401 E402L394-C398 PolarHBondContact O-N 3.46Å; L394-C398 PolarHBondContact O-SG 3.34Å; L395-C398 PolarHBondContact O-N 3.1Å; C398-L400 VanDerWaalsContact C-N 3.33Å; C398-L400 PolarHBondContact O-N 3.3Å; C398-I401 PolarHBondContact O-N 3.03Å; C398-E402 PolarHBondContact O-N 3.07Å
399A88.8Confident91.4Very high6 Ų658.9 Ų58.95%0.0531%0.31CS..Hα-helixtrans-64.2-36.5174.300000112.3F344 L395 V396 F397 E402 Y403F344-A399 HydrophobicContact CE1-CB 4.06Å; F344-A399 HydrophobicContact CZ-CB 3.85Å; L395-A399 PolarHBondContact O-N 3.48Å; L395-A399 VanDerWaalsContact O-N 3.11Å; V396-A399 WeakPolarHBondContact O-CB 3.32Å; V396-A399 PolarHBondContact O-N 3.42Å; F397-A399 VanDerWaalsContact C-N 3.29Å; F397-A399 PolarHBondContact O-N 2.99Å; A399-E402 PolarHBondContact O-N 3.39Å; A399-Y403 PolarHBondContact O-N 3.37Å; A399-Y403 VanDerWaalsContact O-N 3.13Å
400L90.7Very high91.2Very high45 Ų4561.2 Ų61.224%0.23633%0.325CS..Hα-helixtrans-66.4-41.2172.4-80.5174.9000112.8V362 V396 F397 C398 E402 Y403 A404V362-L400 HydrophobicContact CG2-CD1 3.48Å; V362-L400 VanDerWaalsContact CG2-CD1 3.48Å; V396-L400 PolarHBondContact O-N 2.91Å; F397-L400 WeakPolarHBondContact O-CB 3.46Å; F397-L400 PolarHBondContact O-N 3.39Å; F397-L400 VanDerWaalsContact O-N 3.13Å; C398-L400 VanDerWaalsContact C-N 3.33Å; C398-L400 PolarHBondContact O-N 3.3Å; L400-E402 VanDerWaalsContact C-N 3.35Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 2.98Å; L400-A404 PolarHBondContact O-N 3.06Å
401I91.5Very high91.2Very high83 Ų8366.5 Ų66.543%0.42634%0.339SS..Hα-helixtrans-62.2-44.1175.7-69.2171.1000110.5F397 C398 Y403 A404 M405F397-I401 HydrophobicContact CD1-CD1 3.73Å; F397-I401 HydrophobicContact CD1-CG1 4.31Å; F397-I401 HydrophobicContact CE1-CD1 3.59Å; F397-I401 HydrophobicContact CE1-CG1 4.14Å; F397-I401 PolarHBondContact O-N 3.01Å; C398-I401 PolarHBondContact O-N 3.03Å; I401-Y403 VanDerWaalsContact C-N 3.29Å; I401-Y403 PolarHBondContact O-N 3.44Å; I401-A404 PolarHBondContact O-N 2.86Å; I401-A404 VanDerWaalsContact O-N 3.17Å; I401-M405 HydrophobicContact CG2-CG 4.14Å; I401-M405 WeakPolarHBondContact O-CB 3.28Å; I401-M405 VanDerWaalsContact O-CG 3.3Å; I401-M405 WeakPolarHBondContact O-CG 3.38Å; I401-M405 PolarHBondContact O-N 3.19Å
402E90.6Very high91.3Very high68 Ų6866.8 Ų66.832%0.31834%0.337SS..Hα-helixtrans-55.3-48.3175.2-174.6-82.1163.500110.6F344 C398 A399 L400 A404 M405 V406F344-E402 HydrophobicContact CD1-CG 4.35Å; F344-E402 WeakPolarHBondContact CD1-OE2 3.44Å; F344-E402 HydrophobicContact CE1-CB 4.02Å; F344-E402 HydrophobicContact CE1-CG 3.9Å; F344-E402 WeakPolarHBondContact CE1-OE2 3.39Å; C398-E402 PolarHBondContact O-N 3.07Å; A399-E402 PolarHBondContact O-N 3.39Å; L400-E402 VanDerWaalsContact C-N 3.35Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 3.09Å; E402-M405 PolarHBondContact O-N 3.03Å; E402-V406 VanDerWaalsContact O-CB 3.26Å; E402-V406 WeakPolarHBondContact O-CB 3.3Å; E402-V406 WeakPolarHBondContact O-CG2 3.18Å; E402-V406 PolarHBondContact O-N 3.45Å; E402-V406 WeakPolarHBondContact OE1-CG2 3.31Å
403Y89.2Confident91.4Very high38 Ų3871.1 Ų71.115%0.14936%0.356CS..Hα-helixtrans-60-43177.4168.4-107.4000112.6R354 V355 A399 L400 I401 S407R354-Y403 HydrophobicContact CB-CD2 3.85Å; R354-Y403 HydrophobicContact CB-CE2 3.74Å; R354-Y403 HydrophobicContact CB-CG 4.49Å; R354-Y403 HydrophobicContact CG-CD2 4.36Å; R354-Y403 HydrophobicContact CG-CE2 4.34Å; V355-Y403 HydrophobicContact CG2-CD1 4.49Å; V355-Y403 HydrophobicContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-CE1 3.47Å; V355-Y403 VanDerWaalsContact CG2-OH 3.3Å; V355-Y403 WeakPolarHBondContact CG2-OH 3.45Å; A399-Y403 PolarHBondContact O-N 3.37Å; A399-Y403 VanDerWaalsContact O-N 3.13Å; L400-Y403 WeakPolarHBondContact O-CB 3.39Å; L400-Y403 PolarHBondContact O-N 2.98Å; I401-Y403 VanDerWaalsContact C-N 3.29Å; I401-Y403 PolarHBondContact O-N 3.44Å; Y403-S407 VanDerWaalsContact CE2-OG 3.27Å; Y403-S407 WeakPolarHBondContact CE2-OG 3.36Å; Y403-S407 WeakPolarHBondContact O-CB 3.29Å; Y403-S407 PolarHBondContact O-N 3.3Å; Y403-S407 PolarHBondContact O-OG 3.39Å
404A91.5Very high91.4Very high55 Ų5571.5 Ų71.546%0.45536%0.361SS..Hα-helixtrans-64-44.8177.600000111.5L400 I401 E402 S407 Y408L400-A404 PolarHBondContact O-N 3.06Å; I401-A404 PolarHBondContact O-N 2.86Å; I401-A404 VanDerWaalsContact O-N 3.17Å; E402-A404 VanDerWaalsContact C-N 3.35Å; E402-A404 PolarHBondContact O-N 3.09Å; A404-S407 PolarHBondContact O-N 2.93Å; A404-Y408 WeakPolarHBondContact O-CB 3.45Å; A404-Y408 PolarHBondContact O-N 3.41Å
405M91.6Very high91.4Very high110 Ų11070.9 Ų70.954%0.54236%0.358SS..Hα-helixtrans-63.3-43.7177.5-73.9-61.8-67.900112.1I401 E402 Y408 T409I401-M405 HydrophobicContact CG2-CG 4.14Å; I401-M405 WeakPolarHBondContact O-CB 3.28Å; I401-M405 VanDerWaalsContact O-CG 3.3Å; I401-M405 WeakPolarHBondContact O-CG 3.38Å; I401-M405 PolarHBondContact O-N 3.19Å; E402-M405 PolarHBondContact O-N 3.03Å; M405-Y408 PolarHBondContact O-N 3.04Å; M405-T409 VanDerWaalsContact O-CG2 3.32Å; M405-T409 WeakPolarHBondContact O-CG2 3.44Å; M405-T409 PolarHBondContact O-N 3.46Å; M405-T409 PolarHBondContact O-OG1 3.38Å
406V90.7Very high91.6Very high28 Ų2875.5 Ų75.517%0.1737%0.372CS..Hα-helixtrans-60-51.8172.3161.20000109R348 E402 Y408 T409 V410R348-V406 HydrophobicContact CG-CG1 4.23Å; R348-V406 VanDerWaalsContact CZ-O 3.31Å; R348-V406 VanDerWaalsContact NE-CG1 3.26Å; R348-V406 PolarHBondContact NE-O 3.13Å; R348-V406 VanDerWaalsContact NH2-CA 3.33Å; R348-V406 PolarHBondContact NH2-O 3.42Å; E402-V406 VanDerWaalsContact O-CB 3.26Å; E402-V406 WeakPolarHBondContact O-CB 3.3Å; E402-V406 WeakPolarHBondContact O-CG2 3.18Å; E402-V406 PolarHBondContact O-N 3.45Å; E402-V406 WeakPolarHBondContact OE1-CG2 3.31Å; V406-Y408 VanDerWaalsContact C-N 3.3Å; V406-Y408 PolarHBondContact O-N 2.96Å; V406-T409 PolarHBondContact O-N 3.1Å; V406-T409 PolarHBondContact O-OG1 3.45Å; V406-V410 PolarHBondContact O-N 3.18Å
407S88.1Confident91.8Very high40 Ų4083.2 Ų83.228%0.2840%0.401SS..Hα-helixtrans-59.3-40.6179.5-59.60000112.8Y403 A404 K411Y403-S407 VanDerWaalsContact CE2-OG 3.27Å; Y403-S407 WeakPolarHBondContact CE2-OG 3.36Å; Y403-S407 WeakPolarHBondContact O-CB 3.29Å; Y403-S407 PolarHBondContact O-N 3.3Å; Y403-S407 PolarHBondContact O-OG 3.39Å; A404-S407 PolarHBondContact O-N 2.93Å; S407-K411 PolarHBondContact O-N 3.36Å; S407-K411 VanDerWaalsContact O-N 3.09Å
408Y92.4Very high91.9Very high143 Ų14383.1 Ų83.156%0.56140%0.404SS*.Hα-helixtrans-63.9-47.1176.5-179.6-101.7000113.3A404 M405 V406 V410 K411 R412A404-Y408 WeakPolarHBondContact O-CB 3.45Å; A404-Y408 PolarHBondContact O-N 3.41Å; M405-Y408 PolarHBondContact O-N 3.04Å; V406-Y408 VanDerWaalsContact C-N 3.3Å; V406-Y408 PolarHBondContact O-N 2.96Å; Y408-V410 VanDerWaalsContact C-N 3.33Å; Y408-V410 PolarHBondContact O-N 3.28Å; Y408-K411 PolarHBondContact O-N 3.27Å; Y408-R412 PolarHBondContact O-N 3.4Å
409T91.7Very high92.1Very high57 Ų5789 Ų8935%0.3542%0.416SS..Hα-helixtrans-63.2-37.1-179.450.10000112.6R348 M405 V406 Q413R348-T409 PolarHBondContact NH2-OG1 2.95Å; M405-T409 VanDerWaalsContact O-CG2 3.32Å; M405-T409 WeakPolarHBondContact O-CG2 3.44Å; M405-T409 PolarHBondContact O-N 3.46Å; M405-T409 PolarHBondContact O-OG1 3.38Å; V406-T409 PolarHBondContact O-N 3.1Å; V406-T409 PolarHBondContact O-OG1 3.45Å; T409-Q413 VanDerWaalsContact O-CG 3.31Å; T409-Q413 WeakPolarHBondContact O-CG 3.49Å; T409-Q413 PolarHBondContact O-N 2.93Å
410V87.6Confident92.4Very high53 Ų5391 Ų9132%0.32143%0.43SS..Hα-helixtrans-72.4-40.1176149.40000112.4R348 V406 Y408 R412 Q413 N414R348-V410 VanDerWaalsContact NE-CG2 3.33Å; R348-V410 VanDerWaalsContact NH1-CG2 3.29Å; R348-V410 VanDerWaalsContact NH2-CG2 3.29Å; V406-V410 PolarHBondContact O-N 3.18Å; Y408-V410 VanDerWaalsContact C-N 3.33Å; Y408-V410 PolarHBondContact O-N 3.28Å; V410-R412 VanDerWaalsContact C-N 3.32Å; V410-R412 PolarHBondContact O-N 2.78Å; V410-Q413 PolarHBondContact O-N 3.46Å; V410-N414 WeakPolarHBondContact O-CB 3.34Å; V410-N414 PolarHBondContact O-N 2.98Å
411K91.6Very high92.7Very high138 Ų13891.2 Ų91.260%0.644%0.438SS*.Hα-helixtrans-55.5-50.5172.9-176.4178.3178.5-179.30110.5S407 Y408 Q413 N414 D415S407-K411 PolarHBondContact O-N 3.36Å; S407-K411 VanDerWaalsContact O-N 3.09Å; Y408-K411 PolarHBondContact O-N 3.27Å; K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.08Å; K411-N414 WeakPolarHBondContact O-CB 3.31Å; K411-N414 PolarHBondContact O-N 2.95Å; K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3Å
412R94.8Very high92.8Very high131 Ų13194.5 Ų94.549%0.49445%0.449SS..Hα-helixtrans-58.9-39177.4-170.5179.1-174.4-168.23.6113.1Y408 V410 R416Y408-R412 PolarHBondContact O-N 3.4Å; V410-R412 VanDerWaalsContact C-N 3.32Å; V410-R412 PolarHBondContact O-N 2.78Å; R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.48Å; R412-R416 PolarHBondContact O-N 3.23Å
413Q94.1Very high93Very high96 Ų9695.4 Ų95.445%0.44946%0.46SS..Hα-helixtrans-68.8-38.8175.5-75.4178.93.400112.2T409 V410 K411 R416 R417T409-Q413 VanDerWaalsContact O-CG 3.31Å; T409-Q413 WeakPolarHBondContact O-CG 3.49Å; T409-Q413 PolarHBondContact O-N 2.93Å; V410-Q413 PolarHBondContact O-N 3.46Å; K411-Q413 VanDerWaalsContact C-N 3.31Å; K411-Q413 PolarHBondContact O-N 3.08Å; Q413-R416 PolarHBondContact O-N 3Å; Q413-R417 WeakPolarHBondContact O-CG 3.47Å; Q413-R417 PolarHBondContact O-N 3.47Å
414N93Very high93.3Very high83 Ų83102.1 Ų102.144%0.44449%0.485SS..Hα-helixtrans-63.6-45.8177.2-166.453.8000111V410 K411 R416 R417 I418V410-N414 WeakPolarHBondContact O-CB 3.34Å; V410-N414 PolarHBondContact O-N 2.98Å; K411-N414 WeakPolarHBondContact O-CB 3.31Å; K411-N414 PolarHBondContact O-N 2.95Å; N414-R416 VanDerWaalsContact C-N 3.3Å; N414-R416 PolarHBondContact O-N 3.31Å; N414-R417 WeakPolarHBondContact O-CB 3.37Å; N414-R417 PolarHBondContact O-N 2.89Å; N414-R417 VanDerWaalsContact O-N 3.08Å; N414-I418 WeakPolarHBondContact O-CG1 3.49Å; N414-I418 PolarHBondContact O-N 3.12Å
415D95Very high93.4Very high85 Ų85103 Ų10346%0.45549%0.487SS..Hα-helixtrans-60.1-41.4177.3-61.1-18.7000111.4K411 I418 R419K411-D415 VanDerWaalsContact O-CG 3.24Å; K411-D415 PolarHBondContact O-N 3Å; D415-I418 PolarHBondContact O-N 3.24Å; D415-R419 WeakPolarHBondContact O-CB 3.33Å; D415-R419 PolarHBondContact O-N 3.1Å
416R95.9Very high93.5Very high151 Ų15199.5 Ų99.557%0.5748%0.476SS*.Hα-helixtrans-63.7-40.2174.4-74.9175.6175.8-168.4-3.2112.6R412 Q413 N414 R419 S420R412-R416 VanDerWaalsContact O-CG 3.31Å; R412-R416 WeakPolarHBondContact O-CG 3.48Å; R412-R416 PolarHBondContact O-N 3.23Å; Q413-R416 PolarHBondContact O-N 3Å; N414-R416 VanDerWaalsContact C-N 3.3Å; N414-R416 PolarHBondContact O-N 3.31Å; R416-R419 PolarHBondContact O-N 2.72Å; R416-S420 WeakPolarHBondContact O-CB 3.33Å; R416-S420 PolarHBondContact O-N 3.31Å; R416-S420 PolarHBondContact O-OG 2.92Å
417R95.3Very high93.6Very high161 Ų161101 Ų10161%0.60849%0.492SS*.Hα-helixtrans-65.3-45.6177.3-74.1174.2-173.7171.14.9111.2Q413 N414 R419 S420 A421Q413-R417 WeakPolarHBondContact O-CG 3.47Å; Q413-R417 PolarHBondContact O-N 3.47Å; N414-R417 WeakPolarHBondContact O-CB 3.37Å; N414-R417 PolarHBondContact O-N 2.89Å; N414-R417 VanDerWaalsContact O-N 3.08Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.26Å; R417-S420 WeakPolarHBondContact CA-OG 3.44Å; R417-S420 PolarHBondContact O-N 2.99Å; R417-S420 PolarHBondContact O-OG 3.4Å; R417-A421 WeakPolarHBondContact O-CB 3.42Å; R417-A421 PolarHBondContact O-N 3.26Å
418I95Very high93.5Very high101 Ų101106.5 Ų106.552%0.51851%0.513SS..Hα-helixtrans-58-47.2175.8-66.6166.4000110.1N414 D415 S420 A421 F422N414-I418 WeakPolarHBondContact O-CG1 3.49Å; N414-I418 PolarHBondContact O-N 3.12Å; D415-I418 PolarHBondContact O-N 3.24Å; I418-S420 PolarHBondContact O-N 2.99Å; I418-A421 PolarHBondContact O-N 2.76Å; I418-F422 PolarHBondContact O-N 3.45Å
419R95.9Very high93.2Very high197 Ų197104.8 Ų104.874%0.74352%0.522SS*.Hα-helixtrans-60-45.5177.1-168.5174.5-175.9-177.20.5112.3D415 R416 R417 A421 F422 T423D415-R419 WeakPolarHBondContact O-CB 3.33Å; D415-R419 PolarHBondContact O-N 3.1Å; R416-R419 PolarHBondContact O-N 2.72Å; R417-R419 VanDerWaalsContact C-N 3.33Å; R417-R419 PolarHBondContact O-N 3.26Å; R419-A421 VanDerWaalsContact C-N 3.34Å; R419-A421 PolarHBondContact O-N 2.89Å; R419-F422 PolarHBondContact O-N 3.4Å; R419-T423 PolarHBondContact O-N 3.45Å; R419-T423 VanDerWaalsContact O-N 3.1Å; R419-T423 PolarHBondContact O-OG1 3.15Å
420S95.1Very high92.3Very high49 Ų49109.5 Ų109.534%0.34354%0.54SS..Hα-helixtrans-66.9-32.9178.669.70000113.6R416 R417 I418 R424R416-S420 WeakPolarHBondContact O-CB 3.33Å; R416-S420 PolarHBondContact O-N 3.31Å; R416-S420 PolarHBondContact O-OG 2.92Å; R417-S420 WeakPolarHBondContact CA-OG 3.44Å; R417-S420 PolarHBondContact O-N 2.99Å; R417-S420 PolarHBondContact O-OG 3.4Å; I418-S420 PolarHBondContact O-N 2.99Å; S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.93Å; S420-R424 VanDerWaalsContact O-N 3.12Å
421A95.4Very high91Very high49 Ų49109.8 Ų109.841%0.40555%0.548SS..Hα-helixtrans-69.1-44.2176.100000110.8R417 I418 R419 T423 R424 S425R417-A421 WeakPolarHBondContact O-CB 3.42Å; R417-A421 PolarHBondContact O-N 3.26Å; I418-A421 PolarHBondContact O-N 2.76Å; R419-A421 VanDerWaalsContact C-N 3.34Å; R419-A421 PolarHBondContact O-N 2.89Å; A421-T423 PolarHBondContact O-N 3.28Å; A421-R424 PolarHBondContact O-N 3.46Å; A421-S425 PolarHBondContact O-N 3.04Å; A421-S425 PolarHBondContact O-OG 3.27Å
422F94.9Very high89.3Confident151 Ų151108 Ų10866%0.66255%0.55SS**Hα-helixtrans-58.3-45.5174.8-176.2-97.2000112.1I418 R419 R424 S425 A426I418-F422 PolarHBondContact O-N 3.45Å; R419-F422 PolarHBondContact O-N 3.4Å; F422-R424 VanDerWaalsContact C-N 3.34Å; F422-R424 PolarHBondContact O-N 2.93Å; F422-S425 PolarHBondContact O-N 2.86Å; F422-A426 PolarHBondContact O-N 3.42Å
423T94.8Very high87.3Confident88 Ų88108.5 Ų108.554%0.5457%0.568SS.*Hα-helixtrans-61.8-38.7176.1-55.90000112.6R419 A421 A426 A427R419-T423 PolarHBondContact O-N 3.45Å; R419-T423 VanDerWaalsContact O-N 3.1Å; R419-T423 PolarHBondContact O-OG1 3.15Å; A421-T423 PolarHBondContact O-N 3.28Å; T423-A426 PolarHBondContact O-N 3.18Å; T423-A427 PolarHBondContact O-N 3.21Å
424R94.9Very high85.3Confident178 Ų178111 Ų11167%0.67258%0.584SS**Hα-helixtrans-67.4-39.9175.9-73.1172.5-174.7170.21112.4S420 A421 F422 A427 Q428S420-R424 WeakPolarHBondContact O-CG 3.43Å; S420-R424 PolarHBondContact O-N 2.93Å; S420-R424 VanDerWaalsContact O-N 3.12Å; A421-R424 PolarHBondContact O-N 3.46Å; F422-R424 VanDerWaalsContact C-N 3.34Å; F422-R424 PolarHBondContact O-N 2.93Å; R424-A427 PolarHBondContact O-N 3.05Å; R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-N 3.4Å
425S94.2Very high83Confident73 Ų73111 Ų11151%0.5159%0.589SS.*Hα-helixtrans-65.7-38.9175.5-63.10000111.9A421 F422 Q428 S429A421-S425 PolarHBondContact O-N 3.04Å; A421-S425 PolarHBondContact O-OG 3.27Å; F422-S425 PolarHBondContact O-N 2.86Å; S425-Q428 PolarHBondContact O-N 3.44Å; S425-S429 PolarHBondContact O-N 3.23Å; S425-S429 VanDerWaalsContact O-N 3.16Å
426A93.5Very high80.8Confident37 Ų37115.7 Ų115.731%0.30661%0.609SS.*Hα-helixtrans-62.3-47.2172.700000111.6F422 T423 Q428 S429 E430F422-A426 PolarHBondContact O-N 3.42Å; T423-A426 PolarHBondContact O-N 3.18Å; A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 3.28Å; A426-S429 PolarHBondContact O-N 3.02Å; A426-E430 PolarHBondContact O-N 2.94Å
427A91.6Very high77.9Confident61 Ų61117.8 Ų117.850%0.50462%0.622SS.*Hα-helixtrans-62.4-31.4178.500000113.7T423 R424 A431T423-A427 PolarHBondContact O-N 3.21Å; R424-A427 PolarHBondContact O-N 3.05Å; A427-A431 PolarHBondContact O-N 2.91Å
428Q87.2Confident75.3Confident155 Ų155115.4 Ų115.472%0.72463%0.627SS**Hα-helixtrans-73.2-31.5173.7-75177.7-9.600112.8R424 S425 A426R424-Q428 WeakPolarHBondContact O-CG 3.24Å; R424-Q428 PolarHBondContact O-N 3.4Å; S425-Q428 PolarHBondContact O-N 3.44Å; A426-Q428 VanDerWaalsContact C-N 3.28Å; A426-Q428 PolarHBondContact O-N 3.28Å
429S85Confident72.8Confident106 Ų106118.5 Ų118.574%0.74164%0.644SS**Hα-helixtrans-76.9-27.1176.5-170.30000113.1S425 A426S425-S429 PolarHBondContact O-N 3.23Å; S425-S429 VanDerWaalsContact O-N 3.16Å; A426-S429 PolarHBondContact O-N 3.02Å
430E73.3Confident69.9Low156 Ų156117 Ų11773%0.72965%0.65SS**Hα-helixtrans-94-6.6178.8-81.4170.3173.500113.8A426 P432A426-E430 PolarHBondContact O-N 2.94Å; E430-P432 VanDerWaalsContact O-CD 3.29Å; E430-P432 WeakPolarHBondContact O-CD 3.22Å
431A60.6Low67.2Low60 Ų60120.9 Ų120.950%0.49667%0.672SS.*SBendtrans-55.4116.4172.300000107.9A427 T433A427-A431 PolarHBondContact O-N 2.91Å; A431-T433 PolarHBondContact O-N 3.41Å
432P56.9Low64.4Low99 Ų99123.7 Ų123.764%0.64369%0.686SS**  trans-57.6131.8-177.320.3-29.5000107.5E430 I434E430-P432 VanDerWaalsContact O-CD 3.29Å; E430-P432 WeakPolarHBondContact O-CD 3.22Å; P432-I434 HydrophobicContact CB-CG1 4.38Å; P432-I434 HydrophobicContact CG-CG1 4.1Å; P432-I434 PolarHBondContact O-N 2.87Å
433T51.7Low61.5Low143 Ų143124.2 Ų124.288%0.87770%0.695SS**  trans-55.491.2153.2-38.90000104.8A431 S435A431-T433 PolarHBondContact O-N 3.41Å; T433-S435 PolarHBondContact O-N 3.39Å
434I52.1Low58.8Low149 Ų149128.4 Ų128.476%0.76471%0.708SS**  trans-66.592171.6-67.2175.5000104P432P432-I434 HydrophobicContact CB-CG1 4.38Å; P432-I434 HydrophobicContact CG-CG1 4.1Å; P432-I434 PolarHBondContact O-N 2.87Å
435S44.7Very low55.9Low81 Ų81131.2 Ų131.257%0.56672%0.718SS**  trans35.3100.1139.5-159.70000112.7T433 K437T433-S435 PolarHBondContact O-N 3.39Å; S435-K437 PolarHBondContact O-N 3.28Å; S435-K437 VanDerWaalsContact O-N 3.11Å
436E48.1Very low53.3Low184 Ų184135.3 Ų135.386%0.8673%0.733SS**  trans-38.6123.1139.3-80.6175.213400107.5P438E436-P438 VanDerWaalsContact O-CD 3.29Å; E436-P438 WeakPolarHBondContact O-CD 3.43Å; E436-P438 VanDerWaalsContact O-N 3.15Å
437K35.8Very low50.5Low196 Ų196138.9 Ų138.985%0.85275%0.754SS**  trans-49.8119.8167.9-76.3169.8172.1174.20106.7S435 L439S435-K437 PolarHBondContact O-N 3.28Å; S435-K437 VanDerWaalsContact O-N 3.11Å; K437-L439 VanDerWaalsContact C-N 3.35Å; K437-L439 PolarHBondContact O-N 3.08Å
438P41.1Very low47.8Very low110 Ų110141.5 Ų141.571%0.71477%0.765SS**  trans-67.2105.2167-1025.8000105.9E436 L440E436-P438 VanDerWaalsContact O-CD 3.29Å; E436-P438 WeakPolarHBondContact O-CD 3.43Å; E436-P438 VanDerWaalsContact O-N 3.15Å; P438-L440 PolarHBondContact O-N 2.79Å
439L41.5Very low45.6Very low166 Ų166140.1 Ų140.187%0.86977%0.77SS**  trans-58.4110.6167.1-114157.8000106.6K437 T441K437-L439 VanDerWaalsContact C-N 3.35Å; K437-L439 PolarHBondContact O-N 3.08Å; L439-T441 PolarHBondContact O-N 3.44Å
440L36.1Very low43.3Very low166 Ų166141.7 Ų141.787%0.86978%0.775SS**  trans-52115.2172.7-76.4136000109.7P438P438-L440 PolarHBondContact O-N 2.79Å
441T37.5Very low41.1Very low130 Ų130143.2 Ų143.280%0.79878%0.779SS**  trans-145.5125.7143.3-40.50000109L439L439-T441 PolarHBondContact O-N 3.44Å
442P37.2Very low40Very low108 Ų108148.4 Ų148.470%0.70180%0.798SS**  trans-94.3165-167.436.2-33.8000113.8
443L33.7Very low38.7Very low163 Ų163150.6 Ų150.685%0.85380%0.804SS**  trans93.4100.3160.2-52.2-170.4000117.9
444H39.1Very low37.6Very low175 Ų175148.2 Ų148.281%0.8180%0.799SS**  -162.6127.899.8-152.1-77000110.3L446H444-L446 PolarHBondContact O-N 3.13Å
445R34Very low36.7Very low238 Ų238149.5 Ų149.590%0.89881%0.805SS**  trans-57.6131169.8-82.3178.5-173.7173.62.4109.4
446L39.4Very low35.9Very low158 Ų158154.4 Ų154.483%0.82782%0.819SS**  trans-128.4147.2157-79.9169.4000109.9H444H444-L446 PolarHBondContact O-N 3.13Å
447P34.9Very low35Very low113 Ų113150.6 Ų150.673%0.73481%0.81SS**PPolyproline II helixtrans-86.4170.4-156.529.2-20.2000113.7
448P33.9Very low34.9Very low115 Ų115147.4 Ų147.475%0.74781%0.81SS**PPolyproline II helixtrans-74.4157.1-161.329-35000114.7
449P41Very low34.3Very low127 Ų127149.9 Ų149.983%0.82582%0.816SS**PPolyproline II helixtrans-80129.2-167.130.3-33.7000113.2
450V37.5Very low34Very low138 Ų138150.2 Ų150.284%0.83682%0.817SS**PPolyproline II helixtrans-76.8129.7166.9174.50000109
451K26.4Very low33.6Very low189 Ų189146.6 Ų146.682%0.82281%0.811SS**PPolyproline II helixtrans-73.5124.9174.8-62.6176.6-179177.90109.5
452L37.9Very low33.2Very low169 Ų169145.2 Ų145.289%0.88580%0.804SS**  trans-139.4134.1157.6-147.775.7000110.1
453N29.6Very low32.7Very low145 Ų145150.6 Ų150.678%0.77581%0.811SS**  trans-79.5154.9-164.7-61-35.1000113.4
454A28.1Very low32.2Very low93 Ų93152 Ų15277%0.76981%0.81SS**  trans49.498.2139.200000119.3
455I34.1Very low31.8Very low175 Ų175151.8 Ų151.890%0.89781%0.809SS**  trans-139.8122.1137.6-58.6-176.9000108.1
456E28.1Very low31.5Very low184 Ų184147.4 Ų147.486%0.8680%0.803SS**PPolyproline II helixtrans-71.4163.1177-101.5-178.914600113.6
457P28.1Very low31.1Very low104 Ų104145.2 Ų145.268%0.67580%0.802SS**PPolyproline II helixtrans-102.8163.5-153.439.5-34.6000114.3
458P33.6Very low30.7Very low130 Ų130146.5 Ų146.584%0.84481%0.807SS**PPolyproline II helixtrans-87.9124.9155.619.3-4.7000111.3
459L28.6Very low30.7Very low161 Ų161146.2 Ų146.284%0.84381%0.805SS**PPolyproline II helixtrans-57.1135.8163.9-70.1146.2000111.1
460I34.3Very low30.1Very low174 Ų174147.8 Ų147.889%0.89280%0.801SS**  trans-169129.9133.2-88.2141.4000108.9
461A29.7Very low29.6Very low90 Ų90150.7 Ų150.774%0.74480%0.797SS**  trans-78.1169.1-173.200000114
462P28.7Very low29.6Very low101 Ų101147.3 Ų147.366%0.65679%0.787SS**  trans-119.3167-154.743.7-32.3000116.1
463W26.2Very low29.4Very low221 Ų221146.7 Ų146.784%0.83779%0.785SS**  trans71.2103.2159.1-52111.3000119.7
464K22.4Very low29.2Very low192 Ų192147.4 Ų147.484%0.83578%0.783SS**  trans-113.2103.5156.9-157.5177.9-173.1-176.90107.9N466K464-N466 PolarHBondContact O-N 3.23Å
465H31.3Very low29.1Very low171 Ų171147.6 Ų147.679%0.79278%0.778SS**PPolyproline II helixtrans-74.9119.6170.1-96.7-79.7000109.2S467H465-S467 PolarHBondContact O-N 3Å
466N28.6Very low28.7Very low145 Ų145146.6 Ų146.678%0.77577%0.769SS**PPolyproline II helixtrans-69118.9171.4-73.9-25.1000109.9K464K464-N466 PolarHBondContact O-N 3.23Å
467S29.5Very low28.9Very low113 Ų113149.2 Ų149.279%0.7977%0.773SS**PPolyproline II helixtrans-73131.6163.847.60000110.6H465H465-S467 PolarHBondContact O-N 3Å
468V27.1Very low28.9Very low140 Ų140153 Ų15385%0.84878%0.781SS**PPolyproline II helixtrans-101.7145164.1172.80000108.8
469P33.6Very low28.8Very low108 Ų108155.3 Ų155.370%0.70178%0.781SS**  trans-112.6150.4-157.537.9-25.1000114
470E29.5Very low29.1Very low161 Ų161153 Ų15375%0.75278%0.776SS**  trans-156.3108.8147.8-155.496.1-130.900112
471R25.6Very low29.3Very low198 Ų198150.4 Ų150.475%0.74777%0.77SS**  trans24.9126.1147.6-77.1-174-94.7-139.4-9.1124.8
472I27.6Very low29.6Very low119 Ų119151.5 Ų151.561%0.6177%0.771SS**  69.4109.6120.8-55.8167.4000118.5
473N32.8Very low30.4Very low156 Ų156151.3 Ų151.383%0.83477%0.765SS**  -153.4124.3116.6-88.1-33.8000111.3
474Q26Very low31.2Very low160 Ų160145 Ų14575%0.74875%0.753SS**  trans-37.1166.7164.2-84.6124.2-39.200115.5
475C25.6Very low32.4Very low96 Ų96138.6 Ų138.665%0.64974%0.742SS**  cis-171.8154.6-13.4-106.50000106.1
476Q24.9Very low33.2Very low154 Ų154137 Ų13772%0.7273%0.732SS**  trans60.5107.4147.6-69.5177-43.700119.6
477Y34.2Very low34.4Very low240 Ų240135.3 Ų135.394%0.94172%0.723SS**  -154.511698.6-97.3-79.6000107.8
478E26.4Very low36.2Very low182 Ų182134.2 Ų134.285%0.8571%0.711SS**  trans-84.5110.2179.5-90.5156.4126.100110.9
479E31.8Very low37.9Very low179 Ų179131 Ų13184%0.83670%0.695SS**  trans-125.4139.1143.3-94.3-170.7150.300107.5
480P35Very low39.6Very low114 Ų114132.4 Ų132.474%0.7469%0.692SS**  trans-66135.8-166.927-33.2000110.2C482P480-C482 PolarHBondContact O-N 3.47Å
481P38.5Very low41.3Very low118 Ų118130.9 Ų130.977%0.76669%0.687SS**  trans-64116.4-178.425.4-32000108.9N483P481-N483 PolarHBondContact O-N 3.04Å
482C36.7Very low43.6Very low113 Ų113126 Ų12676%0.76468%0.679SS**  trans-51.3110.7169-57.20000107.7P480 C484P480-C482 PolarHBondContact O-N 3.47Å; C482-C484 PolarHBondContact O-N 3.07Å
483N44.8Very low45.8Very low98 Ų98123.7 Ų123.752%0.52467%0.67SS.*THydrogen-bonded Turntrans-75.933.4-168.2-147.40.1000112.6P481 G485 K486 L487P481-N483 PolarHBondContact O-N 3.04Å; N483-G485 PolarHBondContact O-N 2.95Å; N483-K486 PolarHBondContact O-N 3.5Å; N483-K486 VanDerWaalsContact OD1-CB 3.31Å; N483-K486 WeakPolarHBondContact OD1-CB 3.49Å; N483-K486 WeakPolarHBondContact OD1-CD 3.25Å; N483-K486 WeakPolarHBondContact OD1-CG 3.4Å; N483-L487 PolarHBondContact O-N 3.04Å; N483-L487 VanDerWaalsContact O-N 3.13Å
484C44Very low47.7Very low87 Ų87118.7 Ų118.759%0.58865%0.65SS**Hα-helixtrans-59.1-31.1176.8-76.50000111.3C482 L487 V488C482-C484 PolarHBondContact O-N 3.07Å; C484-L487 PolarHBondContact O-N 3.39Å; C484-V488 WeakPolarHBondContact O-CB 3.38Å; C484-V488 VanDerWaalsContact O-CG2 3.24Å; C484-V488 WeakPolarHBondContact O-CG2 3.34Å; C484-V488 PolarHBondContact O-N 2.88Å
485G47.8Very low50.1Low58 Ų58115.2 Ų115.260%0.59864%0.64SS**Hα-helixtrans-63.8-43.3176.200000113.5N483 S489N483-G485 PolarHBondContact O-N 2.95Å; G485-S489 WeakPolarHBondContact O-CB 3.31Å; G485-S489 PolarHBondContact O-N 3.05Å; G485-S489 VanDerWaalsContact O-N 3.08Å
486K48.1Very low52.2Low137 Ų137117.3 Ų117.360%0.59664%0.638SS**Hα-helixtrans-71-37.1174.8-80.5-173.4175.6176.20111.9N483 S489 Q490N483-K486 PolarHBondContact O-N 3.5Å; N483-K486 VanDerWaalsContact OD1-CB 3.31Å; N483-K486 WeakPolarHBondContact OD1-CB 3.49Å; N483-K486 WeakPolarHBondContact OD1-CD 3.25Å; N483-K486 WeakPolarHBondContact OD1-CG 3.4Å; K486-S489 PolarHBondContact O-N 3.42Å; K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 WeakPolarHBondContact O-CG 3.42Å; K486-Q490 PolarHBondContact O-N 3.2Å
487L52.8Low54.5Low110 Ų110116.2 Ų116.258%0.57663%0.633SS**Hα-helixtrans-67.8-39.7-179.5-134.7133.1000111.8N483 C484 Q490 M491N483-L487 PolarHBondContact O-N 3.04Å; N483-L487 VanDerWaalsContact O-N 3.13Å; C484-L487 PolarHBondContact O-N 3.39Å; L487-Q490 PolarHBondContact O-N 3.28Å; L487-M491 WeakPolarHBondContact O-CB 3.31Å; L487-M491 PolarHBondContact O-N 2.83Å
488V67.2Low56.1Low91 Ų91110.3 Ų110.355%0.55261%0.614SS**Hα-helixtrans-66.8-41.3172.5173.90000110.9C484 M491 V492C484-V488 WeakPolarHBondContact O-CB 3.38Å; C484-V488 VanDerWaalsContact O-CG2 3.24Å; C484-V488 WeakPolarHBondContact O-CG2 3.34Å; C484-V488 PolarHBondContact O-N 2.88Å; V488-M491 PolarHBondContact O-N 3.42Å; V488-V492 HydrophobicContact CG1-CG2 4.41Å; V488-V492 WeakPolarHBondContact O-CB 3.44Å; V488-V492 VanDerWaalsContact O-CG2 3.25Å; V488-V492 WeakPolarHBondContact O-CG2 3.43Å; V488-V492 PolarHBondContact O-N 3.39Å
489S62.3Low58Low73 Ų73106.1 Ų106.151%0.5160%0.597SS.*Hα-helixtrans-64.7-39.8176.1-163.40000112.1G485 K486 V492 V493G485-S489 WeakPolarHBondContact O-CB 3.31Å; G485-S489 PolarHBondContact O-N 3.05Å; G485-S489 VanDerWaalsContact O-N 3.08Å; K486-S489 PolarHBondContact O-N 3.42Å; S489-V492 PolarHBondContact O-N 2.97Å; S489-V493 VanDerWaalsContact O-CG2 3.27Å; S489-V493 WeakPolarHBondContact O-CG2 3.37Å; S489-V493 PolarHBondContact O-N 3.16Å
490Q69.2Low59.7Low136 Ų136103.4 Ų103.464%0.63658%0.584SS**Hα-helixtrans-67.9-40.3175.5-79.2-178-20.300111.8K486 L487 V493 A494K486-Q490 WeakPolarHBondContact O-CB 3.45Å; K486-Q490 WeakPolarHBondContact O-CG 3.42Å; K486-Q490 PolarHBondContact O-N 3.2Å; L487-Q490 PolarHBondContact O-N 3.28Å; Q490-V493 PolarHBondContact O-N 3.2Å; Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 3.15Å
491M66.7Low61Low129 Ų129103 Ų10364%0.63557%0.572SS**Hα-helixtrans-62.7-41.4172.7-93.1-174139.400112.1L487 V488 A494 V495L487-M491 WeakPolarHBondContact O-CB 3.31Å; L487-M491 PolarHBondContact O-N 2.83Å; V488-M491 PolarHBondContact O-N 3.42Å; M491-A494 PolarHBondContact O-N 3.34Å; M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 WeakPolarHBondContact O-CG2 3.34Å; M491-V495 PolarHBondContact O-N 2.89Å
492V73.4Confident62.2Low95 Ų95104.7 Ų104.758%0.57656%0.564SS**Hα-helixtrans-66.6-39.2178.4171.20000111.2V488 S489 K496V488-V492 HydrophobicContact CG1-CG2 4.41Å; V488-V492 WeakPolarHBondContact O-CB 3.44Å; V488-V492 VanDerWaalsContact O-CG2 3.25Å; V488-V492 WeakPolarHBondContact O-CG2 3.43Å; V488-V492 PolarHBondContact O-N 3.39Å; S489-V492 PolarHBondContact O-N 2.97Å; V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 PolarHBondContact O-N 3.04Å
493V73.7Confident63.4Low72 Ų72106.6 Ų106.644%0.43656%0.559SS.*Hα-helixtrans-66.4-46.7174.31730000110.7S489 Q490 V495 K496 E497S489-V493 VanDerWaalsContact O-CG2 3.27Å; S489-V493 WeakPolarHBondContact O-CG2 3.37Å; S489-V493 PolarHBondContact O-N 3.16Å; Q490-V493 PolarHBondContact O-N 3.2Å; V493-V495 PolarHBondContact O-N 3.05Å; V493-K496 WeakPolarHBondContact O-CA 3.27Å; V493-K496 WeakPolarHBondContact O-CB 3.42Å; V493-K496 PolarHBondContact O-N 3.32Å; V493-E497 HydrophobicContact CG1-CG 4.47Å; V493-E497 PolarHBondContact O-N 3.18Å
494A72.2Confident64.4Low50 Ų50106.8 Ų106.841%0.41356%0.559SS.*Hα-helixtrans-61.3-40.7178.300000112.6Q490 M491 K496 E497 H498Q490-A494 VanDerWaalsContact O-CB 3.25Å; Q490-A494 WeakPolarHBondContact O-CB 3.43Å; Q490-A494 PolarHBondContact O-N 3.15Å; M491-A494 PolarHBondContact O-N 3.34Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 3.38Å; A494-E497 PolarHBondContact O-N 3.1Å; A494-H498 WeakPolarHBondContact O-CB 3.5Å; A494-H498 PolarHBondContact O-N 3.23Å
495V77.1Confident65.3Low88 Ų88107.2 Ų107.253%0.53356%0.555SS.*Hα-helixtrans-67.1-33.4174.9170.50000111.4M491 V493 N499M491-V495 WeakPolarHBondContact O-CB 3.39Å; M491-V495 WeakPolarHBondContact O-CG2 3.34Å; M491-V495 PolarHBondContact O-N 2.89Å; V493-V495 PolarHBondContact O-N 3.05Å; V495-N499 WeakPolarHBondContact O-CB 3.37Å; V495-N499 PolarHBondContact O-N 2.89Å; V495-N499 PolarHBondContact O-ND2 3.2Å
496K70.1Confident65.9Low140 Ų140110.5 Ų110.561%0.60956%0.559SS**Hα-helixtrans-71.4-43.9177.6-165.5176.4-179.2-173.30111.3V492 V493 A494 N499 Q500V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 PolarHBondContact O-N 3.04Å; V493-K496 WeakPolarHBondContact O-CA 3.27Å; V493-K496 WeakPolarHBondContact O-CB 3.42Å; V493-K496 PolarHBondContact O-N 3.32Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 3.38Å; K496-N499 PolarHBondContact O-N 2.71Å; K496-Q500 PolarHBondContact O-N 3.38Å
497E73Confident66.4Low130 Ų130114.9 Ų114.961%0.60757%0.571SS**Hα-helixtrans-63.4-44.8175.5-73.6174.8168.700111.6V493 A494 N499 Q500 Q501V493-E497 HydrophobicContact CG1-CG 4.47Å; V493-E497 PolarHBondContact O-N 3.18Å; A494-E497 PolarHBondContact O-N 3.1Å; E497-N499 VanDerWaalsContact C-N 3.29Å; E497-N499 PolarHBondContact O-N 2.74Å; E497-Q500 WeakPolarHBondContact O-CB 3.48Å; E497-Q500 PolarHBondContact O-N 3.41Å; E497-Q501 PolarHBondContact O-N 3.04Å
498H67.2Low66.4Low117 Ų117113.1 Ų113.154%0.54258%0.579SS.*Hα-helixtrans-64.4-33.1178.8-161.2-49000112.8A494 R502A494-H498 WeakPolarHBondContact O-CB 3.5Å; A494-H498 PolarHBondContact O-N 3.23Å; H498-R502 PolarHBondContact O-N 3.24Å
499N66.3Low65.7Low94 Ų94116.9 Ų116.950%0.50360%0.603SS.*Hα-helixtrans-74.1-29.2173.6-80.8-41.1000112.7V495 K496 E497 K503V495-N499 WeakPolarHBondContact O-CB 3.37Å; V495-N499 PolarHBondContact O-N 2.89Å; V495-N499 PolarHBondContact O-ND2 3.2Å; K496-N499 PolarHBondContact O-N 2.71Å; E497-N499 VanDerWaalsContact C-N 3.29Å; E497-N499 PolarHBondContact O-N 2.74Å; N499-K503 PolarHBondContact O-N 3.17Å
500Q68.7Low65.8Low121 Ų121119.1 Ų119.157%0.56561%0.607SS**Hα-helixtrans-73.6-40.5176.1-159.2131.7-23.400110.8K496 E497 K503 I504K496-Q500 PolarHBondContact O-N 3.38Å; E497-Q500 WeakPolarHBondContact O-CB 3.48Å; E497-Q500 PolarHBondContact O-N 3.41Å; Q500-K503 WeakPolarHBondContact O-CB 3.47Å; Q500-K503 PolarHBondContact O-N 3.04Å; Q500-K503 VanDerWaalsContact O-N 3.15Å; Q500-I504 WeakPolarHBondContact O-CG1 3.29Å; Q500-I504 PolarHBondContact O-N 2.98Å
501Q61.3Low65.7Low105 Ų105118.2 Ų118.249%0.49161%0.606SS.*Hα-helixtrans-62-45.9175.2-161.464.521.300111.9E497 K503 I504 D505E497-Q501 PolarHBondContact O-N 3.04Å; Q501-K503 PolarHBondContact O-N 3.37Å; Q501-I504 PolarHBondContact O-N 3.11Å; Q501-D505 PolarHBondContact O-N 2.91Å
502R64.9Low65.6Low155 Ų155117.6 Ų117.659%0.58560%0.604SS**Hα-helixtrans-57.5-34.4174-79.4-164.9-158.5-161.55.1113.4H498 I504 L506H498-R502 PolarHBondContact O-N 3.24Å; R502-I504 VanDerWaalsContact C-N 3.34Å; R502-L506 WeakPolarHBondContact O-CB 3.38Å; R502-L506 WeakPolarHBondContact O-CD1 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3.14Å; R502-L506 VanDerWaalsContact O-N 3.1Å
503K60.9Low65.2Low153 Ų153118.9 Ų118.967%0.66561%0.606SS**Hα-helixtrans-73.1-27.2178.5-85.5-175.2175.9-176.80113N499 Q500 Q501N499-K503 PolarHBondContact O-N 3.17Å; Q500-K503 WeakPolarHBondContact O-CB 3.47Å; Q500-K503 PolarHBondContact O-N 3.04Å; Q500-K503 VanDerWaalsContact O-N 3.15Å; Q501-K503 PolarHBondContact O-N 3.37Å
504I65.9Low64.6Low101 Ų101121.8 Ų121.852%0.51862%0.617SS.*Hα-helixtrans-77.4-45.7175.5-64.4167.5000109Q500 Q501 R502 L506 R507 G508Q500-I504 WeakPolarHBondContact O-CG1 3.29Å; Q500-I504 PolarHBondContact O-N 2.98Å; Q501-I504 PolarHBondContact O-N 3.11Å; R502-I504 VanDerWaalsContact C-N 3.34Å; I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.33Å; I504-R507 PolarHBondContact O-N 3.03Å; I504-G508 PolarHBondContact O-N 3.45Å
505D62.1Low64.1Low96 Ų96126.6 Ų126.651%0.51363%0.63SS.*Hα-helixtrans-61-40.1178.2-66.2-21.6000112Q501 R507 G508Q501-D505 PolarHBondContact O-N 2.91Å; D505-R507 PolarHBondContact O-N 3.18Å; D505-G508 PolarHBondContact O-N 3.45Å; D505-G508 VanDerWaalsContact O-N 3.14Å
506L60.1Low63.2Low128 Ų128129.4 Ų129.467%0.6764%0.637SS**THydrogen-bonded Turntrans-69.3-10.7176.3-80.3164.2000114.9R502 I504R502-L506 WeakPolarHBondContact O-CB 3.38Å; R502-L506 WeakPolarHBondContact O-CD1 3.29Å; R502-L506 WeakPolarHBondContact O-CG 3.46Å; R502-L506 PolarHBondContact O-N 3.14Å; R502-L506 VanDerWaalsContact O-N 3.1Å; I504-L506 VanDerWaalsContact C-N 3.33Å; I504-L506 PolarHBondContact O-N 3.33Å
507R58.6Low62.7Low229 Ų229128.5 Ų128.586%0.86464%0.639SS**THydrogen-bonded Turntrans-99.5-9.2172.2-74.9-172.5-167-156.61.1113I504 D505I504-R507 PolarHBondContact O-N 3.03Å; D505-R507 PolarHBondContact O-N 3.18Å
508G54.2Low61.8Low72 Ų72128.4 Ų128.474%0.74264%0.642SS**  trans-95.8-6.3-178.400000114.9I504 D505I504-G508 PolarHBondContact O-N 3.45Å; D505-G508 PolarHBondContact O-N 3.45Å; D505-G508 VanDerWaalsContact O-N 3.14Å
509T51.4Low61.3Low170 Ų170129.5 Ų129.5100%1.04365%0.651SS**  trans-109.80170.1570000109.8

Retrieved 509 of 509 residues in 280.1 ms (Link to these results)