A0A077Z672_TRITR Loading...

Cell growth regulating nucleolar protein

AlphaFold DB , UniProt , Accession A0A077Z672, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 351 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
1M76.5Confident92.3Very high137 Ų13751 Ų5168%0.67530%0.298SS*.  0130.10179.1-174.2-168.200105.9F3 R14 Q16M1-F3 WeakPolarHBondContact O-CD2 3.47Å; M1-F3 WeakPolarHBondContact O-CE2 3.47Å; M1-R14 HydrophobicContact CE-CB 3.97Å; M1-Q16 HydrophobicContact CE-CB 4.41Å; M1-Q16 HydrophobicContact CE-CG 4.06Å
2V87.3Confident92.6Very high18 Ų1851.8 Ų51.811%0.10931%0.314CS..  trans-73.5134.4-173.6-172.80000111.7F4 K15 C33V2-F4 HydrophobicContact CB-CE2 4.3Å; V2-F4 HydrophobicContact CB-CZ 4.48Å; V2-F4 HydrophobicContact CG1-CD2 4.34Å; V2-F4 HydrophobicContact CG1-CE1 4.22Å; V2-F4 HydrophobicContact CG1-CE2 3.86Å; V2-F4 HydrophobicContact CG1-CZ 3.79Å; V2-K15 PolarHBondContact O-N 3.23Å; V2-C33 WeakPolarHBondContact CG1-SG 3.48Å
3F92.6Very high92.7Very high77 Ų7748 Ų4834%0.33829%0.292SS..EExtended strand (participates in β ladder)trans-108.1144.6169.3-67.5-104000110.1M1 R14 M34M1-F3 WeakPolarHBondContact O-CD2 3.47Å; M1-F3 WeakPolarHBondContact O-CE2 3.47Å; F3-R14 HydrophobicContact CD1-CG 3.82Å; F3-R14 HydrophobicContact CE1-CG 3.48Å; F3-R14 VanDerWaalsContact CE1-CG 3.48Å; F3-R14 HydrophobicContact CZ-CG 4.07Å; F3-M34 HydrophobicContact CB-CB 4.46Å; F3-M34 HydrophobicContact CB-CG 4.3Å; F3-M34 HydrophobicContact CB-SD 3.7Å; F3-M34 PolarHBondContact O-N 3.22Å
4F94.9Very high92.8Very high0 Ų053.5 Ų53.50%030%0.304CS..EExtended strand (participates in β ladder)trans-123.6147.5177.2-61.7-88000110.4V2 V13 K15 V18 F31 S32 C33 F40 H48V2-F4 HydrophobicContact CB-CE2 4.3Å; V2-F4 HydrophobicContact CB-CZ 4.48Å; V2-F4 HydrophobicContact CG1-CD2 4.34Å; V2-F4 HydrophobicContact CG1-CE1 4.22Å; V2-F4 HydrophobicContact CG1-CE2 3.86Å; V2-F4 HydrophobicContact CG1-CZ 3.79Å; F4-V13 PolarHBondContact N-O 2.89Å; F4-V13 PolarHBondContact O-N 3.11Å; F4-K15 HydrophobicContact CD2-CB 4.5Å; F4-K15 HydrophobicContact CE2-CB 3.88Å; F4-K15 HydrophobicContact CE2-CD 4.32Å; F4-K15 HydrophobicContact CE2-CG 4.11Å; F4-V18 HydrophobicContact CD2-CG2 3.89Å; F4-V18 HydrophobicContact CE2-CG2 4.48Å; F4-F31 HydrophobicContact CB-CB 4.12Å; F4-F31 HydrophobicContact CB-CD1 4.15Å; F4-F31 HydrophobicContact CD1-CB 4.28Å; F4-F31 HydrophobicContact CG-CB 4.43Å; F4-S32 CarbonylContact C-O 3.56Å; F4-S32 WeakPolarHBondContact CA-O 3.34Å; F4-C33 HydrophobicContact CD1-CB 4.01Å; F4-C33 HydrophobicContact CE1-CB 3.96Å; F4-F40 HydrophobicContact CD1-CD2 4.18Å; F4-F40 AromaticContact CE1-CD2 3.66Å; F4-F40 HydrophobicContact CE1-CD2 3.66Å; F4-F40 AromaticContact CE1-CE2 3.95Å; F4-F40 HydrophobicContact CE1-CE2 3.95Å; F4-F40 HydrophobicContact CE1-CG 4.4Å; F4-H48 AromaticContact CZ-CD2 3.92Å
5T96Very high92.8Very high40 Ų4052.9 Ų52.925%0.24530%0.297CS..EExtended strand (participates in β ladder)trans-95.4132.9167.2-49.60000108.8N7 F31 S32 M34T5-N7 PolarHBondContact O-OD1 2.91Å; T5-F31 CarbonylContact O-C 3.44Å; T5-F31 VanDerWaalsContact O-CA 3.31Å; T5-F31 WeakPolarHBondContact O-CA 3.36Å; T5-S32 PolarHBondContact N-O 2.99Å; T5-S32 PolarHBondContact O-N 3.26Å; T5-M34 WeakPolarHBondContact OG1-CE 3.37Å; T5-M34 WeakPolarHBondContact OG1-CG 3.41Å
6C96.2Very high92.7Very high0 Ų059.4 Ų59.40%033%0.325CS..EExtended strand (participates in β ladder)trans-81.4115.6171.2177.80000110.7G8 C9 G10 E11 H21 F31C6-G8 PolarHBondContact O-N 2.99Å; C6-C9 PolarHBondContact O-N 3.35Å; C6-C9 VanDerWaalsContact O-N 3.16Å; C6-C9 VanDerWaalsContact SG-SG 3.69Å; C6-G10 WeakPolarHBondContact O-CA 3.47Å; C6-G10 PolarHBondContact O-N 3.08Å; C6-E11 PolarHBondContact N-O 3.13Å; C6-H21 WeakPolarHBondContact CB-NE2 3.34Å; C6-H21 PolarHBondContact SG-NE2 3.38Å; C6-F31 HydrophobicContact CB-CD1 4.1Å; C6-F31 HydrophobicContact CB-CE1 3.79Å
7N94.5Very high92.8Very high81 Ų8161.4 Ų61.443%0.43333%0.331SS..THydrogen-bonded Turntrans-69.2-10.8-175.1-61.91.5000112.8T5 V30 S32 D39T5-N7 PolarHBondContact O-OD1 2.91Å; N7-V30 HydrophobicContact CB-CB 4.4Å; N7-V30 PolarHBondContact N-O 2.76Å; N7-V30 VanDerWaalsContact N-O 3.14Å; N7-S32 VanDerWaalsContact CG-OG 3.29Å; N7-S32 PolarHBondContact ND2-OG 2.99Å; N7-S32 PolarHBondContact OD1-OG 2.97Å; N7-D39 PolarHBondContact ND2-OD1 3.12Å
8G93.2Very high92.8Very high15 Ų1558 Ų5816%0.15531%0.313CS..THydrogen-bonded Turntrans-89.3-9.5175.300000116.1C6 R27C6-G8 PolarHBondContact O-N 2.99Å; G8-R27 PolarHBondContact O-NE 2.85Å; G8-R27 PolarHBondContact O-NH2 3.02Å
9C95.7Very high92.8Very high61 Ų6162 Ų6241%0.41233%0.329SS..THydrogen-bonded Turntrans-156-7.1-179.465.10000116.5C6 E11 H21C6-C9 PolarHBondContact O-N 3.35Å; C6-C9 VanDerWaalsContact O-N 3.16Å; C6-C9 VanDerWaalsContact SG-SG 3.69Å; C9-E11 VanDerWaalsContact C-N 3.31Å; C9-E11 PolarHBondContact O-N 2.81Å; C9-H21 PolarHBondContact SG-CE1 3.03Å
10G93.5Very high92.8Very high52 Ų5266.8 Ų66.854%0.53635%0.347SS..  trans79.7-1.8-178.500000115.9C6C6-G10 WeakPolarHBondContact O-CA 3.47Å; C6-G10 PolarHBondContact O-N 3.08Å
11E95.2Very high92.9Very high80 Ų8063.9 Ų63.937%0.37433%0.332SS..  trans-63.9137.7-179.7-167.1-179.2169.100111.6C6 C9 V13 H21C6-E11 PolarHBondContact N-O 3.13Å; C9-E11 VanDerWaalsContact C-N 3.31Å; C9-E11 PolarHBondContact O-N 2.81Å; E11-V13 HydrophobicContact CB-CG2 4.25Å; E11-V13 HydrophobicContact CG-CG2 4.12Å; E11-H21 IonicContact OE2-CE1 3.1Å; E11-H21 PolarHBondContact OE2-CE1 3.04Å; E11-H21 IonicContact OE2-ND1 2.66Å; E11-H21 PolarHBondContact OE2-ND1 2.99Å
12A95.4Very high93.6Very high60 Ų6062 Ų6250%0.49632%0.317SS..EExtended strand (participates in β ladder)trans-87.5109.4175.500000110.8M34A12-M34 HydrophobicContact CB-CE 3.47Å; A12-M34 VanDerWaalsContact CB-CE 3.47Å; A12-M34 HydrophobicContact CB-SD 4.43Å
13V94.4Very high93.9Very high3 Ų368.4 Ų68.42%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-119.1124.4-168.7-168.50000110.9F4 E11 Q17 V18 H21 F31F4-V13 PolarHBondContact N-O 2.89Å; F4-V13 PolarHBondContact O-N 3.11Å; E11-V13 HydrophobicContact CB-CG2 4.25Å; E11-V13 HydrophobicContact CG-CG2 4.12Å; V13-Q17 VanDerWaalsContact CG1-C 3.42Å; V13-Q17 HydrophobicContact CG1-CB 3.66Å; V13-V18 HydrophobicContact CG1-CG2 4.05Å; V13-H21 HydrophobicContact CG1-CB 3.88Å; V13-H21 HydrophobicContact CG2-CB 4.05Å; V13-F31 HydrophobicContact CG2-CE1 4.47Å
14R93.8Very high93.9Very high125 Ų12573.9 Ų73.947%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-67.4149.3172.5-59.2177.2-173.1172.62.7109.9M1 F3 Q16 Q17 V18M1-R14 HydrophobicContact CE-CB 3.97Å; F3-R14 HydrophobicContact CD1-CG 3.82Å; F3-R14 HydrophobicContact CE1-CG 3.48Å; F3-R14 VanDerWaalsContact CE1-CG 3.48Å; F3-R14 HydrophobicContact CZ-CG 4.07Å; R14-Q16 PolarHBondContact O-N 3.21Å; R14-Q17 HydrophobicContact CB-CG 4.48Å; R14-Q17 VanDerWaalsContact CB-OE1 3.32Å; R14-Q17 VanDerWaalsContact CD-OE1 3.3Å; R14-Q17 VanDerWaalsContact CG-OE1 3.29Å; R14-Q17 WeakPolarHBondContact O-CA 3.22Å; R14-Q17 WeakPolarHBondContact O-CB 3.38Å; R14-Q17 PolarHBondContact O-N 2.61Å; R14-V18 PolarHBondContact O-N 2.78Å
15K92.2Very high93.8Very high44 Ų4474.7 Ų74.719%0.19137%0.374CS..G310 helixtrans-45-43.2178.8-174.5159.8172.5156.90115.2V2 F4 Q17 V18 Y45 N46 H48V2-K15 PolarHBondContact O-N 3.23Å; F4-K15 HydrophobicContact CD2-CB 4.5Å; F4-K15 HydrophobicContact CE2-CB 3.88Å; F4-K15 HydrophobicContact CE2-CD 4.32Å; F4-K15 HydrophobicContact CE2-CG 4.11Å; K15-Q17 PolarHBondContact O-N 3.13Å; K15-V18 PolarHBondContact O-N 3.38Å; K15-Y45 VanDerWaalsContact CE-O 3.28Å; K15-Y45 WeakPolarHBondContact CE-O 3.39Å; K15-Y45 HydrophobicContact CG-CD2 4.33Å; K15-Y45 PolarHBondContact NZ-O 3.24Å; K15-N46 VanDerWaalsContact NZ-C 3.28Å; K15-N46 PolarHBondContact NZ-O 3.38Å; K15-H48 PolarHBondContact NZ-O 3.07Å
16Q92.1Very high93.5Very high158 Ų15884 Ų8474%0.73841%0.405SS*.G310 helixtrans-71.4-12.2178.9-68.3174-3800114.8M1 R14M1-Q16 HydrophobicContact CE-CB 4.41Å; M1-Q16 HydrophobicContact CE-CG 4.06Å; R14-Q16 PolarHBondContact O-N 3.21Å
17Q93.2Very high93.2Very high93 Ų9392.2 Ų92.244%0.43544%0.436SS..G310 helixtrans-106.1-10.2-179.7-65.2173.8-74.800112.4V13 R14 K15 E19 K20 H21V13-Q17 VanDerWaalsContact CG1-C 3.42Å; V13-Q17 HydrophobicContact CG1-CB 3.66Å; R14-Q17 HydrophobicContact CB-CG 4.48Å; R14-Q17 VanDerWaalsContact CB-OE1 3.32Å; R14-Q17 VanDerWaalsContact CD-OE1 3.3Å; R14-Q17 VanDerWaalsContact CG-OE1 3.29Å; R14-Q17 WeakPolarHBondContact O-CA 3.22Å; R14-Q17 WeakPolarHBondContact O-CB 3.38Å; R14-Q17 PolarHBondContact O-N 2.61Å; K15-Q17 PolarHBondContact O-N 3.13Å; Q17-E19 VanDerWaalsContact C-N 3.31Å; Q17-E19 PolarHBondContact O-N 2.78Å; Q17-K20 PolarHBondContact O-N 3.45Å; Q17-K20 VanDerWaalsContact O-N 3.12Å; Q17-H21 WeakPolarHBondContact O-CB 3.36Å; Q17-H21 PolarHBondContact O-N 3.08Å
18V93.1Very high92.9Very high0 Ų088.8 Ų88.80%042%0.418CS..Hα-helixtrans-54.2-46.8-179.11740000111.2F4 V13 R14 K15 K20 H21 R22 F31 Y45F4-V18 HydrophobicContact CD2-CG2 3.89Å; F4-V18 HydrophobicContact CE2-CG2 4.48Å; V13-V18 HydrophobicContact CG1-CG2 4.05Å; R14-V18 PolarHBondContact O-N 2.78Å; K15-V18 PolarHBondContact O-N 3.38Å; V18-K20 PolarHBondContact O-N 2.76Å; V18-H21 PolarHBondContact O-N 3.1Å; V18-R22 HydrophobicContact CG1-CG 4.49Å; V18-R22 WeakPolarHBondContact O-CG 3.49Å; V18-R22 PolarHBondContact O-N 3.47Å; V18-F31 HydrophobicContact CG1-CD1 4.3Å; V18-F31 HydrophobicContact CG1-CD2 4.04Å; V18-F31 HydrophobicContact CG1-CE1 3.99Å; V18-F31 HydrophobicContact CG1-CE2 3.72Å; V18-F31 HydrophobicContact CG1-CG 4.31Å; V18-F31 HydrophobicContact CG1-CZ 3.68Å; V18-Y45 HydrophobicContact CB-CD2 4.08Å; V18-Y45 HydrophobicContact CB-CE1 4.44Å; V18-Y45 HydrophobicContact CB-CE2 3.67Å; V18-Y45 HydrophobicContact CG1-CD1 3.84Å; V18-Y45 HydrophobicContact CG1-CD2 3.94Å; V18-Y45 HydrophobicContact CG1-CE1 3.54Å; V18-Y45 HydrophobicContact CG1-CE2 3.66Å; V18-Y45 HydrophobicContact CG1-CG 4.05Å; V18-Y45 VanDerWaalsContact CG1-CZ 3.46Å; V18-Y45 HydrophobicContact CG2-CD2 4.15Å; V18-Y45 HydrophobicContact CG2-CE2 4.21Å
19E92.4Very high92.8Very high134 Ų13494.4 Ų94.463%0.62644%0.44SS*.Hα-helixtrans-60.2-46.3177-176.2171.9-137.700112.7Q17 H21 R22 L23Q17-E19 VanDerWaalsContact C-N 3.31Å; Q17-E19 PolarHBondContact O-N 2.78Å; E19-H21 VanDerWaalsContact C-N 3.32Å; E19-H21 PolarHBondContact O-N 3.44Å; E19-R22 PolarHBondContact O-N 2.93Å; E19-R22 VanDerWaalsContact O-N 3.14Å; E19-L23 PolarHBondContact O-N 3.39Å
20K93.9Very high92.7Very high157 Ų15793 Ų9368%0.68343%0.429SS*.Hα-helixtrans-64.7-36.5176.4-63-170.6177.4-171.30112.3Q17 V18 L23 R24Q17-K20 PolarHBondContact O-N 3.45Å; Q17-K20 VanDerWaalsContact O-N 3.12Å; V18-K20 PolarHBondContact O-N 2.76Å; K20-L23 PolarHBondContact O-N 3.17Å; K20-R24 PolarHBondContact O-N 3.21Å
21H94.4Very high92.8Very high7 Ų790.5 Ų90.53%0.03240%0.404CS..Hα-helixtrans-67.4-37.1173.518094.2000111.4C6 C9 E11 V13 Q17 V18 E19 L23 R24 C25 F31C6-H21 WeakPolarHBondContact CB-NE2 3.34Å; C6-H21 PolarHBondContact SG-NE2 3.38Å; C9-H21 PolarHBondContact SG-CE1 3.03Å; E11-H21 IonicContact OE2-CE1 3.1Å; E11-H21 PolarHBondContact OE2-CE1 3.04Å; E11-H21 IonicContact OE2-ND1 2.66Å; E11-H21 PolarHBondContact OE2-ND1 2.99Å; V13-H21 HydrophobicContact CG1-CB 3.88Å; V13-H21 HydrophobicContact CG2-CB 4.05Å; Q17-H21 WeakPolarHBondContact O-CB 3.36Å; Q17-H21 PolarHBondContact O-N 3.08Å; V18-H21 PolarHBondContact O-N 3.1Å; E19-H21 VanDerWaalsContact C-N 3.32Å; E19-H21 PolarHBondContact O-N 3.44Å; H21-L23 VanDerWaalsContact C-N 3.27Å; H21-L23 PolarHBondContact O-N 2.94Å; H21-R24 PolarHBondContact O-N 3.41Å; H21-C25 WeakPolarHBondContact NE2-CB 3.35Å; H21-C25 PolarHBondContact O-N 3.47Å; H21-F31 AromaticContact CD2-CE1 3.83Å; H21-F31 AromaticContact CD2-CZ 3.74Å
22R92.2Very high92.8Very high96 Ų9688 Ų8836%0.36240%0.395SS..Hα-helixtrans-62.5-32.7177.2-72.8179.474.3-151-4.6113.3V18 E19 S28 F31 G42V18-R22 HydrophobicContact CG1-CG 4.49Å; V18-R22 WeakPolarHBondContact O-CG 3.49Å; V18-R22 PolarHBondContact O-N 3.47Å; E19-R22 PolarHBondContact O-N 2.93Å; E19-R22 VanDerWaalsContact O-N 3.14Å; R22-S28 VanDerWaalsContact CA-OG 3.32Å; R22-S28 WeakPolarHBondContact CA-OG 3.43Å; R22-F31 HydrophobicContact CG-CE2 3.64Å; R22-F31 HydrophobicContact CG-CZ 3.73Å; R22-G42 PolarHBondContact NH1-O 3.25Å; R22-G42 VanDerWaalsContact NH1-O 3.09Å
23L91.9Very high92.7Very high153 Ų15385.2 Ų85.280%0.80137%0.372SS*.Hα-helixtrans-71.8-30.8172.6-61.4174.7000113E19 K20 H21E19-L23 PolarHBondContact O-N 3.39Å; K20-L23 PolarHBondContact O-N 3.17Å; H21-L23 VanDerWaalsContact C-N 3.27Å; H21-L23 PolarHBondContact O-N 2.94Å
24R92.7Very high92.6Very high192 Ų19288.9 Ų88.973%0.72539%0.389SS*.Hα-helixtrans-82.8-43.6179.2-179.1-174.9-73.7174.2-8.5113K20 H21K20-R24 PolarHBondContact O-N 3.21Å; H21-R24 PolarHBondContact O-N 3.41Å
25C93.2Very high92.5Very high17 Ų1786 Ų8612%0.11538%0.383CS..  trans-107.4102.5-170.6-177.80000110.8H21 R27 S28H21-C25 WeakPolarHBondContact NE2-CB 3.35Å; H21-C25 PolarHBondContact O-N 3.47Å; C25-R27 PolarHBondContact O-N 3.24Å; C25-S28 VanDerWaalsContact O-CB 3.26Å; C25-S28 WeakPolarHBondContact O-CB 3.4Å; C25-S28 PolarHBondContact O-N 2.78Å; C25-S28 VanDerWaalsContact O-N 3.16Å; C25-S28 PolarHBondContact O-OG 3.46Å
26R90.7Very high92.4Very high237 Ų23785.9 Ų85.989%0.89439%0.388SS*.THydrogen-bonded Turntrans-59.1-19.4-179.5-63.9-177-176.6-954.5114.7H29R26-H29 PolarHBondContact O-NE2 2.99Å
27R90.2Very high92.3Very high172 Ų17281 Ų8165%0.64938%0.38SS*.THydrogen-bonded Turntrans-92.46.1-178.9-63.8-174.6-70.9179.5-1.3114.4G8 C25 H29G8-R27 PolarHBondContact O-NE 2.85Å; G8-R27 PolarHBondContact O-NH2 3.02Å; C25-R27 PolarHBondContact O-N 3.24Å; R27-H29 VanDerWaalsContact C-N 3.25Å; R27-H29 PolarHBondContact O-CD2 3.22Å; R27-H29 PolarHBondContact O-N 3.25Å
28S87.8Confident92.2Very high9 Ų978.6 Ų78.66%0.06338%0.376CS..  trans-81.649.5-171.259.70000114.9R22 C25 F31R22-S28 VanDerWaalsContact CA-OG 3.32Å; R22-S28 WeakPolarHBondContact CA-OG 3.43Å; C25-S28 VanDerWaalsContact O-CB 3.26Å; C25-S28 WeakPolarHBondContact O-CB 3.4Å; C25-S28 PolarHBondContact O-N 2.78Å; C25-S28 VanDerWaalsContact O-N 3.16Å; C25-S28 PolarHBondContact O-OG 3.46Å; S28-F31 WeakPolarHBondContact O-CE2 3.29Å
29H90.7Very high92.3Very high132 Ų13282.6 Ų82.661%0.61140%0.397SS*.SBendtrans-77.3-28.7-179.6-56.3-79.5000113.4R26 R27 G42R26-H29 PolarHBondContact O-NE2 2.99Å; R27-H29 VanDerWaalsContact C-N 3.25Å; R27-H29 PolarHBondContact O-CD2 3.22Å; R27-H29 PolarHBondContact O-N 3.25Å; H29-G42 PolarHBondContact O-N 2.98Å; H29-G42 VanDerWaalsContact O-N 3.17Å
30V94.6Very high92.3Very high31 Ų3177.6 Ų77.619%0.18837%0.374CS..EExtended strand (participates in β ladder)trans-133135.9-175.8-1670000109.9N7 D39 F40 R41N7-V30 HydrophobicContact CB-CB 4.4Å; N7-V30 PolarHBondContact N-O 2.76Å; N7-V30 VanDerWaalsContact N-O 3.14Å; V30-D39 HydrophobicContact CG1-CB 3.93Å; V30-F40 WeakPolarHBondContact CA-O 3.38Å; V30-R41 HydrophobicContact CG1-CG 4.36Å; V30-R41 HydrophobicContact CG2-CG 4.21Å
31F95Very high92.3Very high1 Ų177.9 Ų77.90%0.00437%0.37CS..EExtended strand (participates in β ladder)trans-124.6121.1176.5-73-91.6000110.2F4 T5 C6 V13 V18 H21 R22 S28 F40F4-F31 HydrophobicContact CB-CB 4.12Å; F4-F31 HydrophobicContact CB-CD1 4.15Å; F4-F31 HydrophobicContact CD1-CB 4.28Å; F4-F31 HydrophobicContact CG-CB 4.43Å; T5-F31 CarbonylContact O-C 3.44Å; T5-F31 VanDerWaalsContact O-CA 3.31Å; T5-F31 WeakPolarHBondContact O-CA 3.36Å; C6-F31 HydrophobicContact CB-CD1 4.1Å; C6-F31 HydrophobicContact CB-CE1 3.79Å; V13-F31 HydrophobicContact CG2-CE1 4.47Å; V18-F31 HydrophobicContact CG1-CD1 4.3Å; V18-F31 HydrophobicContact CG1-CD2 4.04Å; V18-F31 HydrophobicContact CG1-CE1 3.99Å; V18-F31 HydrophobicContact CG1-CE2 3.72Å; V18-F31 HydrophobicContact CG1-CG 4.31Å; V18-F31 HydrophobicContact CG1-CZ 3.68Å; H21-F31 AromaticContact CD2-CE1 3.83Å; H21-F31 AromaticContact CD2-CZ 3.74Å; R22-F31 HydrophobicContact CG-CE2 3.64Å; R22-F31 HydrophobicContact CG-CZ 3.73Å; S28-F31 WeakPolarHBondContact O-CE2 3.29Å; F31-F40 PolarHBondContact N-O 3.04Å; F31-F40 PolarHBondContact O-N 2.87Å
32S95.2Very high92Very high26 Ų2678.9 Ų78.918%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-84.5132.9173.5-50.80000110F4 T5 N7 A38 D39F4-S32 CarbonylContact C-O 3.56Å; F4-S32 WeakPolarHBondContact CA-O 3.34Å; T5-S32 PolarHBondContact N-O 2.99Å; T5-S32 PolarHBondContact O-N 3.26Å; N7-S32 VanDerWaalsContact CG-OG 3.29Å; N7-S32 PolarHBondContact ND2-OG 2.99Å; N7-S32 PolarHBondContact OD1-OG 2.97Å; S32-A38 CarbonylContact C-O 3.5Å; S32-A38 WeakPolarHBondContact CA-O 3.47Å; S32-D39 PolarHBondContact OG-OD1 2.98Å
33C93.8Very high91.9Very high2 Ų279.7 Ų79.71%0.01439%0.393CS..EExtended strand (participates in β ladder)trans-72.4128.7169.11760000110.5V2 F4 D35 G37 A38 F40V2-C33 WeakPolarHBondContact CG1-SG 3.48Å; F4-C33 HydrophobicContact CD1-CB 4.01Å; F4-C33 HydrophobicContact CE1-CB 3.96Å; C33-D35 PolarHBondContact O-N 3.32Å; C33-D35 PolarHBondContact SG-N 3.25Å; C33-D35 VanDerWaalsContact SG-N 3.41Å; C33-G37 WeakPolarHBondContact O-CA 3.48Å; C33-G37 PolarHBondContact O-N 2.69Å; C33-A38 PolarHBondContact N-O 2.86Å; C33-F40 HydrophobicContact CB-CD2 4.46Å; C33-F40 HydrophobicContact CB-CE2 3.81Å
34M91.8Very high91.9Very high80 Ų8077.6 Ų77.639%0.39438%0.379SS..THydrogen-bonded Turntrans-65.3-28.6179.2-68.4-176155.300113F3 T5 A12 K57F3-M34 HydrophobicContact CB-CB 4.46Å; F3-M34 HydrophobicContact CB-CG 4.3Å; F3-M34 HydrophobicContact CB-SD 3.7Å; F3-M34 PolarHBondContact O-N 3.22Å; T5-M34 WeakPolarHBondContact OG1-CE 3.37Å; T5-M34 WeakPolarHBondContact OG1-CG 3.41Å; A12-M34 HydrophobicContact CB-CE 3.47Å; A12-M34 VanDerWaalsContact CB-CE 3.47Å; A12-M34 HydrophobicContact CB-SD 4.43Å; M34-K57 PolarHBondContact O-NZ 3.04Å; M34-K57 VanDerWaalsContact O-NZ 3.14Å
35D91Very high91.8Very high64 Ų6469 Ų6934%0.34235%0.346SS..THydrogen-bonded Turntrans-80.3-52.7-174.6-60.9-47.5000111.3C33 C51 K57C33-D35 PolarHBondContact O-N 3.32Å; C33-D35 PolarHBondContact SG-N 3.25Å; C33-D35 VanDerWaalsContact SG-N 3.41Å; D35-C51 HydrophobicContact CB-CB 4.27Å; D35-C51 WeakPolarHBondContact CB-SG 3.29Å; D35-K57 WeakPolarHBondContact O-CD 3.37Å; D35-K57 WeakPolarHBondContact O-CE 3.33Å; D35-K57 PolarHBondContact O-NZ 3.44Å
36C89.7Confident91.7Very high43 Ų4372.3 Ų72.329%0.29136%0.363SS..THydrogen-bonded Turntrans-99.7-12.5178.961.50000116.4A38 C51 V52C36-A38 PolarHBondContact O-N 3.09Å; C36-A38 VanDerWaalsContact SG-CB 3.54Å; C36-C51 WeakPolarHBondContact CB-SG 3.34Å; C36-C51 PolarHBondContact N-SG 2.63Å; C36-C51 VanDerWaalsContact N-SG 3.41Å; C36-V52 HydrophobicContact CB-CB 4.41Å; C36-V52 HydrophobicContact CB-CG1 3.93Å; C36-V52 HydrophobicContact CB-CG2 3.73Å
37G89.9Confident91.7Very high55 Ų5563.9 Ų63.957%0.56735%0.349SS*.  trans73.74.9-174.200000115.3C33C33-G37 WeakPolarHBondContact O-CA 3.48Å; C33-G37 PolarHBondContact O-N 2.69Å
38A91.7Very high91.7Very high42 Ų4256.9 Ų56.935%0.34732%0.324SS..  trans-73.7137.9177.400000111.8S32 C33 C36 F40S32-A38 CarbonylContact C-O 3.5Å; S32-A38 WeakPolarHBondContact CA-O 3.47Å; C33-A38 PolarHBondContact N-O 2.86Å; C36-A38 PolarHBondContact O-N 3.09Å; C36-A38 VanDerWaalsContact SG-CB 3.54Å; A38-F40 HydrophobicContact CB-CE2 3.86Å; A38-F40 HydrophobicContact CB-CZ 3.91Å; A38-F40 VanDerWaalsContact O-CD2 3.3Å; A38-F40 WeakPolarHBondContact O-CD2 3.5Å; A38-F40 WeakPolarHBondContact O-CE2 3.28Å
39D94.6Very high91.5Very high84 Ų8461.7 Ų61.745%0.44935%0.353SS..EExtended strand (participates in β ladder)trans-83.9135.8174.8-94-10.3000111.6N7 V30 S32N7-D39 PolarHBondContact ND2-OD1 3.12Å; V30-D39 HydrophobicContact CG1-CB 3.93Å; S32-D39 PolarHBondContact OG-OD1 2.98Å
40F94.1Very high91.1Very high30 Ų3061.8 Ų61.813%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-124.1126.2175.6-61-84.1000110.4F4 V30 F31 C33 A38 E44 H48F4-F40 HydrophobicContact CD1-CD2 4.18Å; F4-F40 AromaticContact CE1-CD2 3.66Å; F4-F40 HydrophobicContact CE1-CD2 3.66Å; F4-F40 AromaticContact CE1-CE2 3.95Å; F4-F40 HydrophobicContact CE1-CE2 3.95Å; F4-F40 HydrophobicContact CE1-CG 4.4Å; V30-F40 WeakPolarHBondContact CA-O 3.38Å; F31-F40 PolarHBondContact N-O 3.04Å; F31-F40 PolarHBondContact O-N 2.87Å; C33-F40 HydrophobicContact CB-CD2 4.46Å; C33-F40 HydrophobicContact CB-CE2 3.81Å; A38-F40 HydrophobicContact CB-CE2 3.86Å; A38-F40 HydrophobicContact CB-CZ 3.91Å; A38-F40 VanDerWaalsContact O-CD2 3.3Å; A38-F40 WeakPolarHBondContact O-CD2 3.5Å; A38-F40 WeakPolarHBondContact O-CE2 3.28Å; F40-E44 HydrophobicContact CB-CB 4.18Å; F40-E44 HydrophobicContact CD1-CB 4.02Å; F40-H48 HydrophobicContact CD1-CB 4.32Å; F40-H48 HydrophobicContact CE1-CB 3.65Å; F40-H48 HydrophobicContact CE2-CB 4.33Å; F40-H48 HydrophobicContact CZ-CB 3.66Å; F40-H48 AromaticContact CZ-CG 3.5Å; F40-H48 VanDerWaalsContact CZ-CG 3.5Å; F40-H48 AromaticContact CZ-ND1 3.4Å; F40-H48 WeakPolarHBondContact CZ-ND1 3.44Å
41R93.5Very high90.7Very high163 Ų16362.3 Ų62.362%0.61536%0.356SS*.EExtended strand (participates in β ladder)trans-99.4141-179.4-56.7-169173.7-168.1-1.9110.7V30 I43 E44V30-R41 HydrophobicContact CG1-CG 4.36Å; V30-R41 HydrophobicContact CG2-CG 4.21Å; R41-I43 PolarHBondContact O-N 3.23Å; R41-E44 PolarHBondContact N-OE2 3.47Å; R41-E44 WeakPolarHBondContact O-CB 3.48Å; R41-E44 VanDerWaalsContact O-CG 3.29Å; R41-E44 WeakPolarHBondContact O-CG 3.45Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-E44 VanDerWaalsContact O-N 3.08Å
42G87.8Confident90.1Very high27 Ų2764.7 Ų64.728%0.27837%0.371SS..THydrogen-bonded Turntrans59.6-95.2173.500000114.7R22 H29 Y45R22-G42 PolarHBondContact NH1-O 3.25Å; R22-G42 VanDerWaalsContact NH1-O 3.09Å; H29-G42 PolarHBondContact O-N 2.98Å; H29-G42 VanDerWaalsContact O-N 3.17Å; G42-Y45 WeakPolarHBondContact O-CE1 3.25Å
43I90.5Very high89.4Confident114 Ų11465.1 Ų65.159%0.58537%0.374SS*.THydrogen-bonded Turntrans-118.9-0.7-177.162.2170.9000114.3R41 Y45 N46R41-I43 PolarHBondContact O-N 3.23Å; I43-Y45 PolarHBondContact O-N 2.89Å; I43-Y45 VanDerWaalsContact O-N 3.13Å; I43-N46 WeakPolarHBondContact O-CB 3.22Å; I43-N46 PolarHBondContact O-N 3.49Å
44E91.9Very high88.8Confident109 Ų10972.4 Ų72.451%0.50941%0.408SS..G310 helixtrans-58.2-30-175.4-67.6161.8-176.300113.1F40 R41 N46 G47F40-E44 HydrophobicContact CB-CB 4.18Å; F40-E44 HydrophobicContact CD1-CB 4.02Å; R41-E44 PolarHBondContact N-OE2 3.47Å; R41-E44 WeakPolarHBondContact O-CB 3.48Å; R41-E44 VanDerWaalsContact O-CG 3.29Å; R41-E44 WeakPolarHBondContact O-CG 3.45Å; R41-E44 PolarHBondContact O-N 2.91Å; R41-E44 VanDerWaalsContact O-N 3.08Å; E44-N46 PolarHBondContact O-N 3.28Å; E44-G47 PolarHBondContact O-N 2.94Å
45Y91.3Very high88.2Confident10 Ų1076.7 Ų76.74%0.03942%0.42CS..G310 helixtrans-56-21.5175.676.4-90.8000113.2K15 V18 G42 I43 H48K15-Y45 VanDerWaalsContact CE-O 3.28Å; K15-Y45 WeakPolarHBondContact CE-O 3.39Å; K15-Y45 HydrophobicContact CG-CD2 4.33Å; K15-Y45 PolarHBondContact NZ-O 3.24Å; V18-Y45 HydrophobicContact CB-CD2 4.08Å; V18-Y45 HydrophobicContact CB-CE1 4.44Å; V18-Y45 HydrophobicContact CB-CE2 3.67Å; V18-Y45 HydrophobicContact CG1-CD1 3.84Å; V18-Y45 HydrophobicContact CG1-CD2 3.94Å; V18-Y45 HydrophobicContact CG1-CE1 3.54Å; V18-Y45 HydrophobicContact CG1-CE2 3.66Å; V18-Y45 HydrophobicContact CG1-CG 4.05Å; V18-Y45 VanDerWaalsContact CG1-CZ 3.46Å; V18-Y45 HydrophobicContact CG2-CD2 4.15Å; V18-Y45 HydrophobicContact CG2-CE2 4.21Å; G42-Y45 WeakPolarHBondContact O-CE1 3.25Å; I43-Y45 PolarHBondContact O-N 2.89Å; I43-Y45 VanDerWaalsContact O-N 3.13Å; Y45-H48 PolarHBondContact O-N 3.02Å
46N90.6Very high87.8Confident88 Ų8877.4 Ų77.447%0.47142%0.421SS..G310 helixtrans-67.1-33.7174.7-75.9-34.9000112.7K15 I43 E44K15-N46 VanDerWaalsContact NZ-C 3.28Å; K15-N46 PolarHBondContact NZ-O 3.38Å; I43-N46 WeakPolarHBondContact O-CB 3.22Å; I43-N46 PolarHBondContact O-N 3.49Å; E44-N46 PolarHBondContact O-N 3.28Å
47G89.9Confident87.4Confident59 Ų5980 Ų8061%0.60843%0.427SS*.THydrogen-bonded Turntrans-70.3-35.5174.200000113E44 T49E44-G47 PolarHBondContact O-N 2.94Å; G47-T49 PolarHBondContact O-N 3.26Å; G47-T49 PolarHBondContact O-OG1 2.83Å
48H89.8Confident87.2Confident25 Ų2585.6 Ų85.612%0.11643%0.433CS..  trans-6897.2-177.1-174.879.7000112.3F4 K15 F40 Y45 K50 C51F4-H48 AromaticContact CZ-CD2 3.92Å; K15-H48 PolarHBondContact NZ-O 3.07Å; F40-H48 HydrophobicContact CD1-CB 4.32Å; F40-H48 HydrophobicContact CE1-CB 3.65Å; F40-H48 HydrophobicContact CE2-CB 4.33Å; F40-H48 HydrophobicContact CZ-CB 3.66Å; F40-H48 AromaticContact CZ-CG 3.5Å; F40-H48 VanDerWaalsContact CZ-CG 3.5Å; F40-H48 AromaticContact CZ-ND1 3.4Å; F40-H48 WeakPolarHBondContact CZ-ND1 3.44Å; Y45-H48 PolarHBondContact O-N 3.02Å; H48-K50 PolarHBondContact CE1-O 3.31Å; H48-K50 PolarHBondContact ND1-O 3.44Å; H48-C51 VanDerWaalsContact CE1-SG 3.57Å; H48-C51 WeakPolarHBondContact NE2-CB 3.19Å
49T84.6Confident86.6Confident110 Ų11084.8 Ų84.868%0.67542%0.424SS*.  trans-122.1-32.1-172.545.80000112.9G47G47-T49 PolarHBondContact O-N 3.26Å; G47-T49 PolarHBondContact O-OG1 2.83Å
50K81.9Confident85.9Confident134 Ų13484.5 Ų84.558%0.58344%0.441SS*.SBendtrans-102.5150.6161.5-59.8-172.6-175.8-176.10109H48 E71H48-K50 PolarHBondContact CE1-O 3.31Å; H48-K50 PolarHBondContact ND1-O 3.44Å; K50-E71 IonicContact NZ-OE1 2.98Å; K50-E71 PolarHBondContact NZ-OE1 3.26Å; K50-E71 IonicContact NZ-OE2 3.63Å; K50-E71 PolarHBondContact NZ-OE2 3.08Å
51C85.5Confident85.1Confident42 Ų4286.6 Ų86.628%0.28447%0.472SS..  trans-134.9165.1175.5-163.90000109.6D35 C36 H48D35-C51 HydrophobicContact CB-CB 4.27Å; D35-C51 WeakPolarHBondContact CB-SG 3.29Å; C36-C51 WeakPolarHBondContact CB-SG 3.34Å; C36-C51 PolarHBondContact N-SG 2.63Å; C36-C51 VanDerWaalsContact N-SG 3.41Å; H48-C51 VanDerWaalsContact CE1-SG 3.57Å; H48-C51 WeakPolarHBondContact NE2-CB 3.19Å
52V83.3Confident84.5Confident52 Ų5284.6 Ų84.632%0.31548%0.478SS..  trans-52.3142.5176.3-60.10000110.6C36 E56 K57C36-V52 HydrophobicContact CB-CB 4.41Å; C36-V52 HydrophobicContact CB-CG1 3.93Å; C36-V52 HydrophobicContact CB-CG2 3.73Å; V52-E56 VanDerWaalsContact CA-OE2 3.25Å; V52-E56 WeakPolarHBondContact CA-OE2 3.46Å; V52-E56 HydrophobicContact CB-CG 4.47Å; V52-E56 WeakPolarHBondContact CB-OE2 3.23Å; V52-K57 HydrophobicContact CG2-CB 4.44Å
53S81.2Confident83.9Confident35 Ų3585.9 Ų85.925%0.24547%0.474CS..  trans-74151.1179.273.20000111R55 E56 K57S53-R55 PolarHBondContact O-N 2.99Å; S53-E56 PolarHBondContact N-OE2 3.28Å; S53-E56 WeakPolarHBondContact O-CB 3.47Å; S53-E56 PolarHBondContact O-N 3.25Å; S53-E56 WeakPolarHBondContact OG-CB 3.44Å; S53-E56 PolarHBondContact OG-N 2.93Å; S53-E56 VanDerWaalsContact OG-N 3.1Å; S53-K57 PolarHBondContact O-N 2.95Å
54E80.8Confident82.9Confident154 Ų15488.8 Ų88.872%0.7249%0.485SS*.Hα-helixtrans-54.9-38.4174.6-178.9176.6-150.400111.8Y58E54-Y58 HydrophobicContact CG-CD2 3.8Å; E54-Y58 HydrophobicContact CG-CE2 3.86Å; E54-Y58 VanDerWaalsContact O-CD2 3.24Å; E54-Y58 WeakPolarHBondContact O-CD2 3.47Å; E54-Y58 PolarHBondContact O-N 2.8Å; E54-Y58 VanDerWaalsContact O-N 3.14Å
55R78.5Confident81.9Confident171 Ų17189.4 Ų89.465%0.64549%0.488SS*.Hα-helixtrans-65.9-40.9176.5-173.3-179.4-67.8128.91.8112.3S53 S59 Y63S53-R55 PolarHBondContact O-N 2.99Å; R55-S59 VanDerWaalsContact O-CB 3.22Å; R55-S59 WeakPolarHBondContact O-CB 3.35Å; R55-S59 PolarHBondContact O-N 3.18Å; R55-S59 VanDerWaalsContact O-N 3.12Å; R55-Y63 HydrophobicContact CG-CD2 3.82Å; R55-Y63 HydrophobicContact CG-CE2 3.95Å; R55-Y63 HydrophobicContact CG-CG 4.2Å
56E83.1Confident81Confident78 Ų7898 Ų9836%0.36453%0.526SS..Hα-helixtrans-61.7-53.6175.6-178.6-174.7177.300110.6V52 S53 Y58 S59 Y63V52-E56 VanDerWaalsContact CA-OE2 3.25Å; V52-E56 WeakPolarHBondContact CA-OE2 3.46Å; V52-E56 HydrophobicContact CB-CG 4.47Å; V52-E56 WeakPolarHBondContact CB-OE2 3.23Å; S53-E56 PolarHBondContact N-OE2 3.28Å; S53-E56 WeakPolarHBondContact O-CB 3.47Å; S53-E56 PolarHBondContact O-N 3.25Å; S53-E56 WeakPolarHBondContact OG-CB 3.44Å; S53-E56 PolarHBondContact OG-N 2.93Å; S53-E56 VanDerWaalsContact OG-N 3.1Å; E56-Y58 VanDerWaalsContact C-N 3.3Å; E56-Y58 PolarHBondContact O-N 3.19Å; E56-S59 WeakPolarHBondContact O-CB 3.23Å; E56-S59 PolarHBondContact O-N 2.92Å; E56-S59 VanDerWaalsContact O-N 3.1Å; E56-S59 PolarHBondContact O-OG 3.22Å; E56-Y63 HydrophobicContact CB-CD1 3.59Å; E56-Y63 HydrophobicContact CB-CE1 3.99Å; E56-Y63 HydrophobicContact CG-CD1 4.17Å
57K81.7Confident80Confident99 Ų99100.1 Ų100.143%0.4353%0.533SS..Hα-helixtrans-53.5-42.4179.9-173.9175.3-172.6165.40113M34 D35 V52 S53M34-K57 PolarHBondContact O-NZ 3.04Å; M34-K57 VanDerWaalsContact O-NZ 3.14Å; D35-K57 WeakPolarHBondContact O-CD 3.37Å; D35-K57 WeakPolarHBondContact O-CE 3.33Å; D35-K57 PolarHBondContact O-NZ 3.44Å; V52-K57 HydrophobicContact CG2-CB 4.44Å; S53-K57 PolarHBondContact O-N 2.95Å
58Y84.3Confident79.3Confident172 Ų172100.2 Ų100.268%0.67553%0.528SS*.THydrogen-bonded Turntrans-98.411.2-178.1-59-55.6000114.6E54 E56 G60E54-Y58 HydrophobicContact CG-CD2 3.8Å; E54-Y58 HydrophobicContact CG-CE2 3.86Å; E54-Y58 VanDerWaalsContact O-CD2 3.24Å; E54-Y58 WeakPolarHBondContact O-CD2 3.47Å; E54-Y58 PolarHBondContact O-N 2.8Å; E54-Y58 VanDerWaalsContact O-N 3.14Å; E56-Y58 VanDerWaalsContact C-N 3.3Å; E56-Y58 PolarHBondContact O-N 3.19Å; Y58-G60 PolarHBondContact O-N 3.27Å
59S78.8Confident78.9Confident24 Ų24107.7 Ų107.717%0.16856%0.56CS.*THydrogen-bonded Turntrans-80.2-8.9-178.166.70000116.1R55 E56 G61 T62 Y63R55-S59 VanDerWaalsContact O-CB 3.22Å; R55-S59 WeakPolarHBondContact O-CB 3.35Å; R55-S59 PolarHBondContact O-N 3.18Å; R55-S59 VanDerWaalsContact O-N 3.12Å; E56-S59 WeakPolarHBondContact O-CB 3.23Å; E56-S59 PolarHBondContact O-N 2.92Å; E56-S59 VanDerWaalsContact O-N 3.1Å; E56-S59 PolarHBondContact O-OG 3.22Å; S59-G61 PolarHBondContact O-N 2.7Å; S59-G61 PolarHBondContact OG-N 3.27Å; S59-T62 PolarHBondContact O-N 3.39Å; S59-T62 VanDerWaalsContact O-N 3.15Å; S59-T62 PolarHBondContact O-OG1 2.88Å; S59-Y63 WeakPolarHBondContact OG-CB 3.48Å; S59-Y63 PolarHBondContact OG-N 3.48Å
60G81Confident78.9Confident78 Ų78104.9 Ų104.980%0.80455%0.553SS**THydrogen-bonded Turntrans59.726.2-169.300000113.7Y58Y58-G60 PolarHBondContact O-N 3.27Å
61G77.4Confident79Confident75 Ų75102.6 Ų102.677%0.77354%0.544SS*.THydrogen-bonded Turntrans84.51.3-177.300000115.2S59S59-G61 PolarHBondContact O-N 2.7Å; S59-G61 PolarHBondContact OG-N 3.27Å
62T80Confident79Confident121 Ų121102.9 Ų102.974%0.74255%0.545SS*.  trans-85.7-9.2-179.464.80000114.4S59 Q64S59-T62 PolarHBondContact O-N 3.39Å; S59-T62 VanDerWaalsContact O-N 3.15Å; S59-T62 PolarHBondContact O-OG1 2.88Å; T62-Q64 PolarHBondContact O-N 2.99Å
63Y75.4Confident79.2Confident53 Ų53107.1 Ų107.121%0.20856%0.559CS.*  trans-84.1103.6-177.7178.9-113.5000112.4R55 E56 S59 E65R55-Y63 HydrophobicContact CG-CD2 3.82Å; R55-Y63 HydrophobicContact CG-CE2 3.95Å; R55-Y63 HydrophobicContact CG-CG 4.2Å; E56-Y63 HydrophobicContact CB-CD1 3.59Å; E56-Y63 HydrophobicContact CB-CE1 3.99Å; E56-Y63 HydrophobicContact CG-CD1 4.17Å; S59-Y63 WeakPolarHBondContact OG-CB 3.48Å; S59-Y63 PolarHBondContact OG-N 3.48Å; Y63-E65 HydrophobicContact CD1-CB 4.39Å; Y63-E65 HydrophobicContact CE1-CB 3.68Å; Y63-E65 HydrophobicContact CE1-CG 4.21Å; Y63-E65 PolarHBondContact OH-OE1 3.27Å
64Q70.1Confident79.5Confident175 Ų175107 Ų10782%0.81855%0.554SS**  trans-76.7118.2154.8-67.7-178.7-17.900108.8T62 K66T62-Q64 PolarHBondContact O-N 2.99Å; Q64-K66 PolarHBondContact O-N 3.24Å
65E70.3Confident79.9Confident122 Ų122104.1 Ų104.157%0.5754%0.541SS*.  trans-63.6119.9174.8177.4143.7-99.200110.5Y63 E67Y63-E65 HydrophobicContact CD1-CB 4.39Å; Y63-E65 HydrophobicContact CE1-CB 3.68Å; Y63-E65 HydrophobicContact CE1-CG 4.21Å; Y63-E65 PolarHBondContact OH-OE1 3.27Å; E65-E67 PolarHBondContact O-N 2.8Å
66K72.2Confident80.5Confident192 Ų19298.7 Ų98.784%0.83553%0.529SS*.  trans-78.991.9173.3-70.5179.7-179.1173.60108.1Q64 A68Q64-K66 PolarHBondContact O-N 3.24Å; K66-A68 PolarHBondContact O-N 3.32Å
67E69.8Low80.9Confident131 Ų13195.9 Ų95.961%0.61252%0.515SS*.  trans-33129.5-178-52.4177.9139.900112.6E65 K69 V72E65-E67 PolarHBondContact O-N 2.8Å; E67-K69 PolarHBondContact O-N 2.94Å; E67-V72 HydrophobicContact CB-CG2 3.38Å; E67-V72 HydrophobicContact CG-CG2 4.24Å; E67-V72 WeakPolarHBondContact OE2-CG2 3.43Å
68A76.5Confident81.3Confident61 Ų6193.2 Ų93.250%0.50451%0.507SS..  trans-63.8113.9-175.800000109.4K66 G70 E71 V72K66-A68 PolarHBondContact O-N 3.32Å; A68-G70 CarbonylContact O-C 3.57Å; A68-G70 PolarHBondContact O-N 3.45Å; A68-E71 HydrophobicContact CB-CB 4.18Å; A68-E71 WeakPolarHBondContact O-CA 3.48Å; A68-E71 PolarHBondContact O-N 3.46Å; A68-V72 PolarHBondContact O-N 3.23Å
69K81Confident81.6Confident183 Ų18389.3 Ų89.380%0.79650%0.498SS*.THydrogen-bonded Turntrans-58.4-8.7-173.1-60.3-171179.1-169.40115.8E67 K73E67-K69 PolarHBondContact O-N 2.94Å; K69-K73 WeakPolarHBondContact O-CD 3.34Å; K69-K73 VanDerWaalsContact O-CG 3.31Å; K69-K73 WeakPolarHBondContact O-CG 3.4Å
70G83.9Confident82.3Confident50 Ų5089.7 Ų89.752%0.51550%0.497SS..THydrogen-bonded Turntrans-90.9-34.316900000113.8A68 Q74A68-G70 CarbonylContact O-C 3.57Å; A68-G70 PolarHBondContact O-N 3.45Å; G70-Q74 PolarHBondContact O-N 2.94Å; G70-Q74 VanDerWaalsContact O-N 3.15Å
71E84.1Confident82.7Confident86 Ų8686.1 Ų86.140%0.40246%0.46SS..THydrogen-bonded Turntrans-75.6-44.6179.6-176148.9-143.600111.4K50 A68 K73 Q74 Q75K50-E71 IonicContact NZ-OE1 2.98Å; K50-E71 PolarHBondContact NZ-OE1 3.26Å; K50-E71 IonicContact NZ-OE2 3.63Å; K50-E71 PolarHBondContact NZ-OE2 3.08Å; A68-E71 HydrophobicContact CB-CB 4.18Å; A68-E71 WeakPolarHBondContact O-CA 3.48Å; A68-E71 PolarHBondContact O-N 3.46Å; E71-K73 PolarHBondContact O-N 2.7Å; E71-Q74 CarbonylContact O-C 3.52Å; E71-Q74 WeakPolarHBondContact O-CA 3.49Å; E71-Q74 WeakPolarHBondContact O-CB 3.35Å; E71-Q74 PolarHBondContact O-N 3.08Å; E71-Q75 PolarHBondContact O-N 2.82Å
72V85.6Confident83.4Confident49 Ų4985 Ų8530%0.29744%0.435SS..Hα-helixtrans-55.1-40.2172-175.20000111.3E67 A68 Q74 S76E67-V72 HydrophobicContact CB-CG2 3.38Å; E67-V72 HydrophobicContact CG-CG2 4.24Å; E67-V72 WeakPolarHBondContact OE2-CG2 3.43Å; A68-V72 PolarHBondContact O-N 3.23Å; V72-Q74 VanDerWaalsContact C-N 3.28Å; V72-Q74 PolarHBondContact O-N 3.28Å; V72-S76 VanDerWaalsContact O-CB 3.27Å; V72-S76 WeakPolarHBondContact O-CB 3.49Å; V72-S76 PolarHBondContact O-N 3.48Å
73K87.7Confident83.9Confident141 Ų14184.6 Ų84.661%0.61342%0.423SS*.Hα-helixtrans-73.7-16.4176.4-70.4-172.7179.9-164.10113.8K69 E71 W77 R110K69-K73 WeakPolarHBondContact O-CD 3.34Å; K69-K73 VanDerWaalsContact O-CG 3.31Å; K69-K73 WeakPolarHBondContact O-CG 3.4Å; E71-K73 PolarHBondContact O-N 2.7Å; K73-W77 WeakPolarHBondContact O-CB 3.38Å; K73-R110 PolarHBondContact O-NH1 3.15Å
74Q88.2Confident84.6Confident31 Ų3182.1 Ų82.115%0.14541%0.413CS..Hα-helixtrans-86.3-45.3173-164.566.631.100110.2G70 E71 V72 W77 T78 T106 I108 R110G70-Q74 PolarHBondContact O-N 2.94Å; G70-Q74 VanDerWaalsContact O-N 3.15Å; E71-Q74 CarbonylContact O-C 3.52Å; E71-Q74 WeakPolarHBondContact O-CA 3.49Å; E71-Q74 WeakPolarHBondContact O-CB 3.35Å; E71-Q74 PolarHBondContact O-N 3.08Å; V72-Q74 VanDerWaalsContact C-N 3.28Å; V72-Q74 PolarHBondContact O-N 3.28Å; Q74-W77 WeakPolarHBondContact O-CB 3.35Å; Q74-W77 PolarHBondContact O-N 3.5Å; Q74-W77 VanDerWaalsContact O-N 3.12Å; Q74-T78 PolarHBondContact O-N 3.03Å; Q74-T78 PolarHBondContact O-OG1 3.06Å; Q74-T106 WeakPolarHBondContact CG-O 3.32Å; Q74-T106 PolarHBondContact NE2-O 2.82Å; Q74-I108 PolarHBondContact NE2-O 3.06Å; Q74-R110 VanDerWaalsContact CA-NH1 3.32Å
75Q88.6Confident85.5Confident95 Ų9574.1 Ų74.144%0.44438%0.376SS..Hα-helixtrans-56.8-57173.1-70.7167.3-24.700110.6E71 W77 T78 D79E71-Q75 PolarHBondContact O-N 2.82Å; Q75-W77 PolarHBondContact O-N 2.95Å; Q75-T78 WeakPolarHBondContact CA-OG1 3.45Å; Q75-T78 CarbonylContact O-C 3.55Å; Q75-T78 PolarHBondContact O-N 3.16Å; Q75-T78 PolarHBondContact O-OG1 2.95Å; Q75-D79 PolarHBondContact O-N 3.17Å; Q75-D79 VanDerWaalsContact O-OD2 3.12Å
76S90.8Very high86.4Confident57 Ų5773.7 Ų73.740%0.39938%0.377SS..Hα-helixtrans-56.9-21.5175.7169.20000114.3V72 Q80V72-S76 VanDerWaalsContact O-CB 3.27Å; V72-S76 WeakPolarHBondContact O-CB 3.49Å; V72-S76 PolarHBondContact O-N 3.48Å; S76-Q80 VanDerWaalsContact O-CD 3.29Å; S76-Q80 VanDerWaalsContact O-CG 3.23Å; S76-Q80 WeakPolarHBondContact O-CG 3.37Å; S76-Q80 PolarHBondContact O-N 3.16Å
77W91.2Very high87.1Confident18 Ų1869.5 Ų69.57%0.06836%0.361CS..Hα-helixtrans-85.7-39.9173.6174.4-102.2000112K73 Q74 Q75 D79 Q80 V81 I108 R110 W135 I138K73-W77 WeakPolarHBondContact O-CB 3.38Å; Q74-W77 WeakPolarHBondContact O-CB 3.35Å; Q74-W77 PolarHBondContact O-N 3.5Å; Q74-W77 VanDerWaalsContact O-N 3.12Å; Q75-W77 PolarHBondContact O-N 2.95Å; W77-D79 VanDerWaalsContact C-N 3.26Å; W77-D79 PolarHBondContact O-N 2.74Å; W77-Q80 WeakPolarHBondContact O-CB 3.48Å; W77-Q80 PolarHBondContact O-N 3.07Å; W77-V81 WeakPolarHBondContact O-CG2 3.26Å; W77-V81 PolarHBondContact O-N 2.9Å; W77-I108 HydrophobicContact CZ2-CG2 4.41Å; W77-I108 VanDerWaalsContact NE1-CG2 3.34Å; W77-I108 PolarHBondContact NE1-O 2.83Å; W77-R110 HydrophobicContact CB-CG 4.11Å; W77-R110 HydrophobicContact CD2-CG 3.54Å; W77-R110 HydrophobicContact CE3-CG 3.95Å; W77-R110 HydrophobicContact CG-CG 3.58Å; W77-W135 HydrophobicContact CH2-CE3 4.24Å; W77-W135 AromaticContact CH2-CH2 3.86Å; W77-W135 HydrophobicContact CH2-CH2 3.86Å; W77-W135 AromaticContact CH2-CZ3 3.54Å; W77-W135 HydrophobicContact CH2-CZ3 3.54Å; W77-W135 HydrophobicContact CZ2-CH2 4.47Å; W77-W135 AromaticContact CZ2-CZ3 3.82Å; W77-W135 HydrophobicContact CZ2-CZ3 3.82Å; W77-I138 HydrophobicContact CE3-CG2 4.2Å; W77-I138 HydrophobicContact CH2-CB 4.28Å; W77-I138 HydrophobicContact CH2-CG2 3.45Å; W77-I138 VanDerWaalsContact CH2-CG2 3.45Å; W77-I138 HydrophobicContact CZ2-CG2 3.87Å; W77-I138 HydrophobicContact CZ3-CG2 3.64Å
78T91Very high87.7Confident44 Ų4463.9 Ų63.927%0.2734%0.337SS..Hα-helixtrans-65.3-31.2170.647.20000112Q74 Q75 V81 Q82Q74-T78 PolarHBondContact O-N 3.03Å; Q74-T78 PolarHBondContact O-OG1 3.06Å; Q75-T78 WeakPolarHBondContact CA-OG1 3.45Å; Q75-T78 CarbonylContact O-C 3.55Å; Q75-T78 PolarHBondContact O-N 3.16Å; Q75-T78 PolarHBondContact O-OG1 2.95Å; T78-V81 PolarHBondContact O-N 3.48Å; T78-Q82 PolarHBondContact O-N 2.81Å
79D90.9Very high87.7Confident90 Ų9068.6 Ų68.648%0.48135%0.346SS..Hα-helixtrans-69.4-36173.7-55.5-24.8000111.4Q75 W77 Q82 K83Q75-D79 PolarHBondContact O-N 3.17Å; Q75-D79 VanDerWaalsContact O-OD2 3.12Å; W77-D79 VanDerWaalsContact C-N 3.26Å; W77-D79 PolarHBondContact O-N 2.74Å; D79-Q82 PolarHBondContact O-N 2.77Å; D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 WeakPolarHBondContact O-CG 3.42Å; D79-K83 PolarHBondContact O-N 3.49Å
80Q91.8Very high87.4Confident32 Ų3264.9 Ų64.915%0.1534%0.34CS..Hα-helixtrans-66.1-37.8170.5-77.1163.8-3.500111.6S76 W77 K83 A84 I138 A142S76-Q80 VanDerWaalsContact O-CD 3.29Å; S76-Q80 VanDerWaalsContact O-CG 3.23Å; S76-Q80 WeakPolarHBondContact O-CG 3.37Å; S76-Q80 PolarHBondContact O-N 3.16Å; W77-Q80 WeakPolarHBondContact O-CB 3.48Å; W77-Q80 PolarHBondContact O-N 3.07Å; Q80-K83 PolarHBondContact O-N 3.11Å; Q80-A84 WeakPolarHBondContact O-CB 3.47Å; Q80-A84 PolarHBondContact O-N 2.87Å; Q80-I138 HydrophobicContact CB-CG2 4.18Å; Q80-A142 HydrophobicContact CG-CB 4.28Å
81V91.1Very high86.8Confident2 Ų267.7 Ų67.71%0.01235%0.348CS..Hα-helixtrans-65.2-41.1172.6175.20000111.4W77 T78 A84 I85 L102 I108 I138W77-V81 WeakPolarHBondContact O-CG2 3.26Å; W77-V81 PolarHBondContact O-N 2.9Å; T78-V81 PolarHBondContact O-N 3.48Å; V81-A84 PolarHBondContact O-N 3.44Å; V81-I85 WeakPolarHBondContact O-CG1 3.23Å; V81-I85 PolarHBondContact O-N 3.5Å; V81-L102 HydrophobicContact CG1-CB 4.21Å; V81-I108 HydrophobicContact CB-CD1 4.43Å; V81-I108 HydrophobicContact CG1-CD1 4.24Å; V81-I108 HydrophobicContact CG2-CD1 3.91Å; V81-I138 HydrophobicContact CG2-CD1 3.91Å; V81-I138 HydrophobicContact CG2-CG1 4.09Å; V81-I138 HydrophobicContact CG2-CG2 3.89Å
82Q90.8Very high86.6Confident53 Ų5368.2 Ų68.225%0.24835%0.35CS..Hα-helixtrans-63.3-48.3174.5-179.15664.500111.3T78 D79 A84 I85 D86 K103T78-Q82 PolarHBondContact O-N 2.81Å; D79-Q82 PolarHBondContact O-N 2.77Å; Q82-A84 PolarHBondContact O-N 3.32Å; Q82-I85 WeakPolarHBondContact O-CA 3.34Å; Q82-I85 WeakPolarHBondContact O-CB 3.24Å; Q82-I85 PolarHBondContact O-N 3.45Å; Q82-D86 PolarHBondContact NE2-OD1 3.38Å; Q82-D86 PolarHBondContact NE2-OD2 3.2Å; Q82-D86 VanDerWaalsContact O-CG 3.27Å; Q82-D86 PolarHBondContact O-N 2.99Å; Q82-D86 VanDerWaalsContact O-OD2 3.05Å; Q82-K103 VanDerWaalsContact OE1-CE 3.25Å
83K91.1Very high86.6Confident112 Ų11270 Ų7049%0.48736%0.36SS..Hα-helixtrans-56.6-36.6173.6-74.1177179.2-172.70112.7D79 Q80 D86 Q87D79-K83 WeakPolarHBondContact O-CB 3.49Å; D79-K83 WeakPolarHBondContact O-CG 3.42Å; D79-K83 PolarHBondContact O-N 3.49Å; Q80-K83 PolarHBondContact O-N 3.11Å; K83-D86 PolarHBondContact O-N 3.47Å; K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 WeakPolarHBondContact O-CG 3.46Å; K83-Q87 PolarHBondContact O-N 3.1Å
84A90.4Very high86.6Confident1 Ų165 Ų651%0.00835%0.35CS..Hα-helixtrans-67.8-33.4175.100000112.9Q80 V81 Q82 D86 A88 L99 A137 I138 S141Q80-A84 WeakPolarHBondContact O-CB 3.47Å; Q80-A84 PolarHBondContact O-N 2.87Å; V81-A84 PolarHBondContact O-N 3.44Å; Q82-A84 PolarHBondContact O-N 3.32Å; A84-D86 VanDerWaalsContact C-N 3.34Å; A84-A88 VanDerWaalsContact O-CB 3.22Å; A84-A88 WeakPolarHBondContact O-CB 3.27Å; A84-A88 PolarHBondContact O-N 3.37Å; A84-L99 HydrophobicContact CB-CD1 4.26Å; A84-L99 HydrophobicContact CB-CD2 4.4Å; A84-A137 HydrophobicContact CB-CB 4.38Å; A84-I138 HydrophobicContact CB-CB 4.43Å; A84-I138 HydrophobicContact CB-CG1 3.87Å; A84-S141 PolarHBondContact N-OG 2.95Å
85I89.5Confident86.6Confident7 Ų764.4 Ų64.44%0.03635%0.347CS..Hα-helixtrans-63.2-43.5169.7-62.2164.2000110V81 Q82 A88 L99 K103V81-I85 WeakPolarHBondContact O-CG1 3.23Å; V81-I85 PolarHBondContact O-N 3.5Å; Q82-I85 WeakPolarHBondContact O-CA 3.34Å; Q82-I85 WeakPolarHBondContact O-CB 3.24Å; Q82-I85 PolarHBondContact O-N 3.45Å; I85-A88 PolarHBondContact O-N 3.18Å; I85-L99 WeakPolarHBondContact CD1-O 3.46Å; I85-L99 HydrophobicContact CG1-CB 3.58Å; I85-K103 HydrophobicContact CD1-CB 4.23Å; I85-K103 HydrophobicContact CD1-CD 4.19Å
86D88.3Confident86.7Confident112 Ų11265 Ų6560%0.59935%0.346SS*.Hα-helixtrans-75-32.6-174.8-56-35.8000112.4Q82 K83 A84Q82-D86 PolarHBondContact NE2-OD1 3.38Å; Q82-D86 PolarHBondContact NE2-OD2 3.2Å; Q82-D86 VanDerWaalsContact O-CG 3.27Å; Q82-D86 PolarHBondContact O-N 2.99Å; Q82-D86 VanDerWaalsContact O-OD2 3.05Å; K83-D86 PolarHBondContact O-N 3.47Å; A84-D86 VanDerWaalsContact C-N 3.34Å
87Q86.7Confident86.7Confident104 Ų10469.3 Ų69.349%0.48636%0.357SS..Hα-helixtrans-79.6-17.2171.9-72.7178.2-46.600113.2K83 K89 S141 D144K83-Q87 WeakPolarHBondContact O-CB 3.32Å; K83-Q87 WeakPolarHBondContact O-CG 3.46Å; K83-Q87 PolarHBondContact O-N 3.1Å; Q87-K89 PolarHBondContact O-N 2.98Å; Q87-K89 VanDerWaalsContact O-N 3.08Å; Q87-S141 PolarHBondContact OE1-OG 2.59Å; Q87-D144 PolarHBondContact NE2-OD2 2.96Å
88A82.3Confident86.7Confident13 Ų1368.9 Ų68.911%0.10736%0.356CS..SBendtrans-67.6108.7-177.200000111.7A84 I85 L99A84-A88 VanDerWaalsContact O-CB 3.22Å; A84-A88 WeakPolarHBondContact O-CB 3.27Å; A84-A88 PolarHBondContact O-N 3.37Å; I85-A88 PolarHBondContact O-N 3.18Å; A88-L99 HydrophobicContact CB-CD1 4.18Å
89K77.1Confident86.7Confident160 Ų16066.8 Ų66.870%0.69634%0.343SS*.  trans-50.8132.1176.9-65.8176.9-177.4172.70110.4Q87 T91 H92Q87-K89 PolarHBondContact O-N 2.98Å; Q87-K89 VanDerWaalsContact O-N 3.08Å; K89-T91 PolarHBondContact O-N 2.8Å; K89-H92 PolarHBondContact O-N 3.34Å; K89-H92 VanDerWaalsContact O-N 3.11Å
90P73.6Confident86.7Confident105 Ų10567.2 Ų67.268%0.68234%0.342SS*.THydrogen-bonded Turntrans-55.7-17.2-177.7-29.435.8000115.9
91T72.9Confident86.7Confident110 Ų11067.8 Ų67.868%0.67535%0.35SS*.THydrogen-bonded Turntrans-63.1-36.2176.248.70000113.5K89 V93K89-T91 PolarHBondContact O-N 2.8Å; T91-V93 VanDerWaalsContact C-N 3.34Å; T91-V93 PolarHBondContact O-N 2.91Å; T91-V93 VanDerWaalsContact O-N 3.13Å
92H79.1Confident86.7Confident97 Ų9767.7 Ų67.745%0.44935%0.35SS..  trans-90.168.1179-74.1-119.8000111.3K89 G94 L95 R96K89-H92 PolarHBondContact O-N 3.34Å; K89-H92 VanDerWaalsContact O-N 3.11Å; H92-G94 PolarHBondContact O-N 3.46Å; H92-L95 HydrophobicContact CB-CB 3.65Å; H92-L95 HydrophobicContact CB-CD2 4.09Å; H92-L95 WeakPolarHBondContact O-CB 3.48Å; H92-L95 PolarHBondContact O-N 3.42Å; H92-R96 PolarHBondContact O-N 2.95Å
93V85.4Confident86.6Confident85 Ų8571.4 Ų71.452%0.51537%0.365SS..Hα-helixtrans-54.1-37.1-179.7-178.20000112.6T91 K97T91-V93 VanDerWaalsContact C-N 3.34Å; T91-V93 PolarHBondContact O-N 2.91Å; T91-V93 VanDerWaalsContact O-N 3.13Å; V93-K97 HydrophobicContact CG1-CD 4.31Å; V93-K97 WeakPolarHBondContact O-CB 3.21Å; V93-K97 WeakPolarHBondContact O-CG 3.36Å; V93-K97 PolarHBondContact O-N 3.12Å; V93-K97 VanDerWaalsContact O-N 3.08Å
94G87.7Confident86.5Confident38 Ų3870.3 Ų70.339%0.39237%0.371SS..Hα-helixtrans-66.5-43.1176.100000113.3H92 K97 L98H92-G94 PolarHBondContact O-N 3.46Å; G94-K97 PolarHBondContact O-N 2.84Å; G94-L98 WeakPolarHBondContact O-CB 3.36Å; G94-L98 PolarHBondContact O-N 3.15Å; G94-L98 VanDerWaalsContact O-N 3.08Å
95L88.5Confident86.5Confident18 Ų1873.8 Ų73.89%0.09439%0.385CS..Hα-helixtrans-63-46.7176.7-177.462.6000111.1H92 L98 L99 D133 A134H92-L95 HydrophobicContact CB-CB 3.65Å; H92-L95 HydrophobicContact CB-CD2 4.09Å; H92-L95 WeakPolarHBondContact O-CB 3.48Å; H92-L95 PolarHBondContact O-N 3.42Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 2.83Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.48Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.22Å; L95-D133 HydrophobicContact CD1-CB 3.85Å; L95-A134 VanDerWaalsContact CD1-CA 3.5Å; L95-A134 HydrophobicContact CD1-CB 3.75Å
96R89.7Confident86.3Confident107 Ų10779.2 Ų79.240%0.40442%0.418SS..Hα-helixtrans-61.4-46.5177.6-179172.9169.8151.40111.8H92 L98 L99 E100H92-R96 PolarHBondContact O-N 2.95Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.72Å; R96-L99 PolarHBondContact O-N 2.87Å; R96-E100 IonicContact NE-OE2 3.44Å; R96-E100 PolarHBondContact NE-OE2 2.95Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 PolarHBondContact O-N 3.34Å
97K91Very high86.3Confident148 Ų14879.8 Ų79.864%0.64342%0.421SS*.Hα-helixtrans-58.9-36.1176.1-76.2179.1177.4-175.90112.7V93 G94 S101V93-K97 HydrophobicContact CG1-CD 4.31Å; V93-K97 WeakPolarHBondContact O-CB 3.21Å; V93-K97 WeakPolarHBondContact O-CG 3.36Å; V93-K97 PolarHBondContact O-N 3.12Å; V93-K97 VanDerWaalsContact O-N 3.08Å; G94-K97 PolarHBondContact O-N 2.84Å; K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.27Å; K97-S101 PolarHBondContact O-N 2.84Å
98L91.2Very high86.5Confident9 Ų974.9 Ų74.95%0.04740%0.398CS..Hα-helixtrans-67-50.7174.516848.9000112G94 L95 R96 E100 S101 L102 L119 L123 I125 L130 A134G94-L98 WeakPolarHBondContact O-CB 3.36Å; G94-L98 PolarHBondContact O-N 3.15Å; G94-L98 VanDerWaalsContact O-N 3.08Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 2.83Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.72Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-N 2.88Å; L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CG 4.33Å; L98-L102 PolarHBondContact O-N 2.87Å; L98-L119 HydrophobicContact CD1-CD1 4.05Å; L98-L119 HydrophobicContact CD1-CD2 3.62Å; L98-L119 HydrophobicContact CD1-CG 4.47Å; L98-L119 HydrophobicContact CD2-CD1 4.28Å; L98-L123 HydrophobicContact CD1-CD1 3.8Å; L98-I125 HydrophobicContact CD1-CD1 3.45Å; L98-I125 VanDerWaalsContact CD1-CD1 3.45Å; L98-I125 HydrophobicContact CD2-CD1 4.15Å; L98-I125 HydrophobicContact CG-CD1 4.27Å; L98-L130 WeakPolarHBondContact CD2-O 3.37Å; L98-A134 HydrophobicContact CD2-CB 3.7Å; L98-A134 HydrophobicContact CG-CB 4.13Å
99L91.6Very high87Confident0 Ų075.7 Ų75.70%040%0.402CS..Hα-helixtrans-63.9-37.5178.4-64.8169.5000112.1A84 I85 A88 L95 R96 L102 K103 A134 I138A84-L99 HydrophobicContact CB-CD1 4.26Å; A84-L99 HydrophobicContact CB-CD2 4.4Å; I85-L99 WeakPolarHBondContact CD1-O 3.46Å; I85-L99 HydrophobicContact CG1-CB 3.58Å; A88-L99 HydrophobicContact CB-CD1 4.18Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.48Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.22Å; R96-L99 PolarHBondContact O-N 2.87Å; L99-L102 HydrophobicContact CD2-CD1 4.25Å; L99-L102 WeakPolarHBondContact O-CB 3.31Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-K103 PolarHBondContact O-N 2.84Å; L99-A134 HydrophobicContact CD2-CB 4.25Å; L99-I138 HydrophobicContact CD2-CD1 3.85Å; L99-I138 HydrophobicContact CD2-CG1 3.82Å
100E91.6Very high87.7Confident98 Ų9873.5 Ų73.546%0.45839%0.39SS..Hα-helixtrans-71.5-32.9177.1-166.5148.2-149.200111.9R96 L98 K103R96-E100 IonicContact NE-OE2 3.44Å; R96-E100 PolarHBondContact NE-OE2 2.95Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 PolarHBondContact O-N 3.34Å; L98-E100 VanDerWaalsContact C-N 3.33Å; L98-E100 PolarHBondContact O-N 3.45Å; E100-K103 WeakPolarHBondContact O-CB 3.37Å
101S92Very high88.5Confident45 Ų4575.7 Ų75.732%0.31539%0.389SS..Hα-helixtrans-67.4-40168.4-174.90000112.2K97 L98 K103 S104 L123K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.27Å; K97-S101 PolarHBondContact O-N 2.84Å; L98-S101 PolarHBondContact O-N 2.88Å; S101-K103 PolarHBondContact O-N 3.02Å; S101-S104 WeakPolarHBondContact O-CB 3.43Å; S101-S104 PolarHBondContact O-N 3.5Å; S101-S104 VanDerWaalsContact O-N 3.15Å; S101-S104 PolarHBondContact O-OG 2.85Å; S101-L123 WeakPolarHBondContact OG-CD2 3.37Å
102L90.4Very high89.4Confident0 Ų074.8 Ų74.80%038%0.377CS..Hα-helixtrans-57.8-33.7176.3-86.6166000113V81 L98 L99 S104 Y105 I108 F115 F118 L119 I138V81-L102 HydrophobicContact CG1-CB 4.21Å; L98-L102 HydrophobicContact CD1-CD1 4.14Å; L98-L102 HydrophobicContact CD1-CG 4.33Å; L98-L102 PolarHBondContact O-N 2.87Å; L99-L102 HydrophobicContact CD2-CD1 4.25Å; L99-L102 WeakPolarHBondContact O-CB 3.31Å; L99-L102 PolarHBondContact O-N 3.39Å; L102-S104 PolarHBondContact O-N 3.43Å; L102-S104 VanDerWaalsContact O-N 3.08Å; L102-Y105 PolarHBondContact O-N 3.46Å; L102-I108 HydrophobicContact CB-CD1 4.26Å; L102-I108 HydrophobicContact CD2-CD1 4.17Å; L102-I108 HydrophobicContact CD2-CG1 4.17Å; L102-I108 HydrophobicContact CD2-CG2 4.17Å; L102-F115 HydrophobicContact CD1-CE2 3.88Å; L102-F115 HydrophobicContact CD1-CZ 3.74Å; L102-F115 HydrophobicContact CD2-CE2 4.14Å; L102-F118 HydrophobicContact CD2-CD1 4.42Å; L102-F118 HydrophobicContact CD2-CE1 3.74Å; L102-L119 HydrophobicContact CD1-CD2 4.21Å; L102-L119 HydrophobicContact CD2-CD2 3.81Å; L102-L119 HydrophobicContact CG-CD2 4.08Å; L102-I138 HydrophobicContact CD1-CD1 4.42Å
103K88.7Confident90.1Very high130 Ų13073.9 Ų73.957%0.56539%0.386SS*.THydrogen-bonded Turntrans-55.1-25.2176.8-174.5171.7177.5166.50114Q82 I85 L99 E100 S101 Y105Q82-K103 VanDerWaalsContact OE1-CE 3.25Å; I85-K103 HydrophobicContact CD1-CB 4.23Å; I85-K103 HydrophobicContact CD1-CD 4.19Å; L99-K103 PolarHBondContact O-N 2.84Å; E100-K103 WeakPolarHBondContact O-CB 3.37Å; S101-K103 PolarHBondContact O-N 3.02Å; K103-Y105 VanDerWaalsContact C-N 3.25Å; K103-Y105 PolarHBondContact O-N 3.06Å
104S88.6Confident90.5Very high89 Ų8976.8 Ų76.862%0.62239%0.392SS*.THydrogen-bonded Turntrans-71.6-15.217667.80000114.3S101 L102S101-S104 WeakPolarHBondContact O-CB 3.43Å; S101-S104 PolarHBondContact O-N 3.5Å; S101-S104 VanDerWaalsContact O-N 3.15Å; S101-S104 PolarHBondContact O-OG 2.85Å; L102-S104 PolarHBondContact O-N 3.43Å; L102-S104 VanDerWaalsContact O-N 3.08Å
105Y90.7Very high90.8Very high75 Ų7575 Ų7529%0.29437%0.373SS..  trans-105.4121.1-177.5-61.2-91.8000111.7L102 K103 I108 F118 S122 L123L102-Y105 PolarHBondContact O-N 3.46Å; K103-Y105 VanDerWaalsContact C-N 3.25Å; K103-Y105 PolarHBondContact O-N 3.06Å; Y105-I108 WeakPolarHBondContact O-CG1 3.31Å; Y105-F118 HydrophobicContact CD1-CE2 4.28Å; Y105-F118 AromaticContact CD1-CZ 3.78Å; Y105-F118 HydrophobicContact CD1-CZ 3.78Å; Y105-F118 HydrophobicContact CD2-CZ 4.28Å; Y105-F118 HydrophobicContact CE1-CZ 4.32Å; Y105-F118 AromaticContact CG-CZ 3.76Å; Y105-F118 HydrophobicContact CG-CZ 3.76Å; Y105-S122 PolarHBondContact OH-O 3.25Å; Y105-L123 HydrophobicContact CE2-CD2 3.87Å
106T85.4Confident91Very high121 Ų12177.3 Ų77.374%0.74238%0.382SS*.SBendtrans-77.1-24.3176.355.20000113.4Q74Q74-T106 WeakPolarHBondContact CG-O 3.32Å; Q74-T106 PolarHBondContact NE2-O 2.82Å
107N88.6Confident91.2Very high123 Ų12380.1 Ų80.166%0.65840%0.398SS*.  trans-108.151-172.4-1655.3000113.2
108I90.9Very high91.4Very high1 Ų174.7 Ų74.71%0.00537%0.374CS..  trans-69.8131.7178.4-56.2168.1000110.2Q74 W77 V81 L102 Y105 R110 F115Q74-I108 PolarHBondContact NE2-O 3.06Å; W77-I108 HydrophobicContact CZ2-CG2 4.41Å; W77-I108 VanDerWaalsContact NE1-CG2 3.34Å; W77-I108 PolarHBondContact NE1-O 2.83Å; V81-I108 HydrophobicContact CB-CD1 4.43Å; V81-I108 HydrophobicContact CG1-CD1 4.24Å; V81-I108 HydrophobicContact CG2-CD1 3.91Å; L102-I108 HydrophobicContact CB-CD1 4.26Å; L102-I108 HydrophobicContact CD2-CD1 4.17Å; L102-I108 HydrophobicContact CD2-CG1 4.17Å; L102-I108 HydrophobicContact CD2-CG2 4.17Å; Y105-I108 WeakPolarHBondContact O-CG1 3.31Å; I108-R110 PolarHBondContact O-N 3.24Å; I108-F115 HydrophobicContact CG2-CD2 3.86Å; I108-F115 HydrophobicContact CG2-CE2 3.81Å
109P92.7Very high91.5Very high30 Ų3074.2 Ų74.220%0.19537%0.372CS..  trans-75121.1-177.8-2033.6000115.5K111 K114 F118P109-K111 PolarHBondContact O-N 3.45Å; P109-K114 HydrophobicContact CB-CB 3.77Å; P109-K114 HydrophobicContact CG-CB 4.49Å; P109-F118 HydrophobicContact CG-CB 3.78Å; P109-F118 HydrophobicContact CG-CD1 4.41Å; P109-F118 HydrophobicContact CG-CD2 4.31Å; P109-F118 HydrophobicContact CG-CG 3.93Å
110R90.5Very high91.6Very high114 Ų11477.1 Ų77.143%0.4339%0.392SS..SBendtrans-72.234.8173.9-67.2176.3-69.4-97.1-24.9116K73 Q74 W77 I108K73-R110 PolarHBondContact O-NH1 3.15Å; Q74-R110 VanDerWaalsContact CA-NH1 3.32Å; W77-R110 HydrophobicContact CB-CG 4.11Å; W77-R110 HydrophobicContact CD2-CG 3.54Å; W77-R110 HydrophobicContact CE3-CG 3.95Å; W77-R110 HydrophobicContact CG-CG 3.58Å; I108-R110 PolarHBondContact O-N 3.24Å
111K91.3Very high91.6Very high151 Ų15179.2 Ų79.266%0.65741%0.406SS*.SBendtrans-148.6123.4173.7-71.2-163.9175.3-164.80109.9P109 A113 K114 F115P109-K111 PolarHBondContact O-N 3.45Å; K111-A113 PolarHBondContact O-N 3.49Å; K111-K114 HydrophobicContact CB-CB 4.38Å; K111-K114 CarbonylContact O-C 3.59Å; K111-K114 WeakPolarHBondContact O-CA 3.36Å; K111-K114 WeakPolarHBondContact O-CB 3.33Å; K111-K114 PolarHBondContact O-N 3.2Å; K111-F115 PolarHBondContact O-N 2.89Å
112Q91.9Very high91.5Very high92 Ų9279.3 Ų79.343%0.4341%0.407SS..Hα-helixtrans-42.5-54.8-176.6-166.2177.54.500113.9K114 F115 K116 D132 W135Q112-K114 VanDerWaalsContact C-N 3.26Å; Q112-K114 PolarHBondContact O-N 3.26Å; Q112-F115 CarbonylContact O-C 3.48Å; Q112-F115 WeakPolarHBondContact O-CB 3.41Å; Q112-F115 PolarHBondContact O-N 3.22Å; Q112-K116 WeakPolarHBondContact O-CB 3.24Å; Q112-K116 PolarHBondContact O-N 3.12Å; Q112-D132 PolarHBondContact NE2-OD1 2.88Å; Q112-W135 HydrophobicContact CB-CD2 3.87Å; Q112-W135 HydrophobicContact CB-CE3 4.48Å; Q112-W135 HydrophobicContact CB-CG 4.21Å; Q112-W135 HydrophobicContact CB-CZ2 3.93Å; Q112-W135 HydrophobicContact CG-CD2 4Å; Q112-W135 HydrophobicContact CG-CG 3.8Å; Q112-W135 VanDerWaalsContact N-CH2 3.31Å
113A93.2Very high91.3Very high78 Ų7881.5 Ų81.565%0.64542%0.418SS*.Hα-helixtrans-62.9-25.8179.800000114.7K111 K117K111-A113 PolarHBondContact O-N 3.49Å; A113-K117 WeakPolarHBondContact O-CG 3.24Å
114K93.8Very high91.3Very high146 Ų14677.3 Ų77.364%0.63541%0.412SS*.Hα-helixtrans-84.9-34.7170.8-69-161.8173.1-164.40112P109 K111 Q112 K117 F118P109-K114 HydrophobicContact CB-CB 3.77Å; P109-K114 HydrophobicContact CG-CB 4.49Å; K111-K114 HydrophobicContact CB-CB 4.38Å; K111-K114 CarbonylContact O-C 3.59Å; K111-K114 WeakPolarHBondContact O-CA 3.36Å; K111-K114 WeakPolarHBondContact O-CB 3.33Å; K111-K114 PolarHBondContact O-N 3.2Å; Q112-K114 VanDerWaalsContact C-N 3.26Å; Q112-K114 PolarHBondContact O-N 3.26Å; K114-K117 PolarHBondContact O-N 2.91Å; K114-F118 VanDerWaalsContact O-CB 3.23Å; K114-F118 WeakPolarHBondContact O-CB 3.47Å; K114-F118 PolarHBondContact O-N 3.45Å
115F94.1Very high91.2Very high1 Ų174.8 Ų74.80%0.00439%0.391CS..Hα-helixtrans-64.6-47.8176-179.3-102.9000111.4L102 I108 K111 Q112 K117 F118 L119 A134 W135 I138L102-F115 HydrophobicContact CD1-CE2 3.88Å; L102-F115 HydrophobicContact CD1-CZ 3.74Å; L102-F115 HydrophobicContact CD2-CE2 4.14Å; I108-F115 HydrophobicContact CG2-CD2 3.86Å; I108-F115 HydrophobicContact CG2-CE2 3.81Å; K111-F115 PolarHBondContact O-N 2.89Å; Q112-F115 CarbonylContact O-C 3.48Å; Q112-F115 WeakPolarHBondContact O-CB 3.41Å; Q112-F115 PolarHBondContact O-N 3.22Å; F115-K117 PolarHBondContact O-N 3.26Å; F115-F118 CarbonylContact O-C 3.56Å; F115-F118 WeakPolarHBondContact O-CB 3.43Å; F115-F118 PolarHBondContact O-N 2.87Å; F115-F118 VanDerWaalsContact O-N 3.11Å; F115-L119 HydrophobicContact CD1-CD1 3.95Å; F115-L119 HydrophobicContact CD1-CG 4.48Å; F115-L119 HydrophobicContact CE1-CD1 3.43Å; F115-L119 VanDerWaalsContact CE1-CD1 3.43Å; F115-L119 HydrophobicContact CE1-CG 4.27Å; F115-L119 HydrophobicContact CE2-CD1 4.37Å; F115-L119 HydrophobicContact CZ-CD1 3.68Å; F115-L119 HydrophobicContact CZ-CG 4.3Å; F115-L119 PolarHBondContact O-N 3.45Å; F115-A134 HydrophobicContact CE1-CB 4.35Å; F115-A134 HydrophobicContact CZ-CB 4.42Å; F115-W135 HydrophobicContact CB-CE3 3.77Å; F115-W135 HydrophobicContact CB-CZ3 3.89Å; F115-W135 HydrophobicContact CD1-CB 4.04Å; F115-W135 HydrophobicContact CD1-CD2 4.34Å; F115-W135 AromaticContact CD1-CE3 3.6Å; F115-W135 HydrophobicContact CD1-CE3 3.6Å; F115-W135 HydrophobicContact CD1-CZ3 4.48Å; F115-W135 HydrophobicContact CD2-CE3 4.2Å; F115-W135 HydrophobicContact CD2-CZ3 4.43Å; F115-W135 HydrophobicContact CE1-CB 3.94Å; F115-W135 HydrophobicContact CE1-CE3 4.15Å; F115-W135 AromaticContact CG-CE3 3.61Å; F115-W135 HydrophobicContact CG-CE3 3.61Å; F115-W135 HydrophobicContact CG-CZ3 4.06Å; F115-I138 HydrophobicContact CE2-CD1 3.97Å; F115-I138 HydrophobicContact CZ-CD1 3.67Å
116K93.5Very high91Very high65 Ų6581.5 Ų81.528%0.28342%0.416SS..Hα-helixtrans-57.1-46.3172.9177.9171.7-178.6-170.50112.5Q112 F118 L119 S120 E128 I131Q112-K116 WeakPolarHBondContact O-CB 3.24Å; Q112-K116 PolarHBondContact O-N 3.12Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-F118 PolarHBondContact O-N 3.44Å; K116-L119 PolarHBondContact O-N 3.42Å; K116-S120 WeakPolarHBondContact O-CB 3.35Å; K116-S120 PolarHBondContact O-N 3.1Å; K116-E128 VanDerWaalsContact CE-OE2 3.23Å; K116-E128 WeakPolarHBondContact CE-OE2 3.35Å; K116-E128 IonicContact NZ-OE1 2.81Å; K116-E128 PolarHBondContact NZ-OE1 3.36Å; K116-E128 IonicContact NZ-OE2 2.63Å; K116-E128 PolarHBondContact NZ-OE2 3.07Å; K116-I131 HydrophobicContact CB-CG2 3.8Å; K116-I131 HydrophobicContact CG-CD1 4.45Å; K116-I131 HydrophobicContact CG-CG2 3.94Å
117K93.9Very high91.2Very high166 Ų16680.5 Ų80.572%0.72241%0.406SS*.Hα-helixtrans-64.4-37174.2-75.3-169.6176.6-167.30112.7A113 K114 F115 N121A113-K117 WeakPolarHBondContact O-CG 3.24Å; K114-K117 PolarHBondContact O-N 2.91Å; F115-K117 PolarHBondContact O-N 3.26Å; K117-N121 WeakPolarHBondContact O-CB 3.37Å; K117-N121 PolarHBondContact O-N 3.3Å
118F94.6Very high91.4Very high34 Ų3479.9 Ų79.915%0.14940%0.399CS..Hα-helixtrans-67-46.5175.7170.5-100.4000112.1L102 Y105 P109 K114 F115 K116 S120 N121 S122L102-F118 HydrophobicContact CD2-CD1 4.42Å; L102-F118 HydrophobicContact CD2-CE1 3.74Å; Y105-F118 HydrophobicContact CD1-CE2 4.28Å; Y105-F118 AromaticContact CD1-CZ 3.78Å; Y105-F118 HydrophobicContact CD1-CZ 3.78Å; Y105-F118 HydrophobicContact CD2-CZ 4.28Å; Y105-F118 HydrophobicContact CE1-CZ 4.32Å; Y105-F118 AromaticContact CG-CZ 3.76Å; Y105-F118 HydrophobicContact CG-CZ 3.76Å; P109-F118 HydrophobicContact CG-CB 3.78Å; P109-F118 HydrophobicContact CG-CD1 4.41Å; P109-F118 HydrophobicContact CG-CD2 4.31Å; P109-F118 HydrophobicContact CG-CG 3.93Å; K114-F118 VanDerWaalsContact O-CB 3.23Å; K114-F118 WeakPolarHBondContact O-CB 3.47Å; K114-F118 PolarHBondContact O-N 3.45Å; F115-F118 CarbonylContact O-C 3.56Å; F115-F118 WeakPolarHBondContact O-CB 3.43Å; F115-F118 PolarHBondContact O-N 2.87Å; F115-F118 VanDerWaalsContact O-N 3.11Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-F118 PolarHBondContact O-N 3.44Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 3.2Å; F118-N121 PolarHBondContact O-N 3Å; F118-S122 WeakPolarHBondContact O-CA 3.24Å; F118-S122 VanDerWaalsContact O-CB 3.24Å; F118-S122 WeakPolarHBondContact O-CB 3.38Å; F118-S122 PolarHBondContact O-N 3.02Å
119L93.8Very high91.4Very high0 Ų082 Ų820%042%0.422CS..Hα-helixtrans-62.6-40.5175.6-72.3-174.5000112.6L98 L102 F115 K116 L123 G124 I125 I131L98-L119 HydrophobicContact CD1-CD1 4.05Å; L98-L119 HydrophobicContact CD1-CD2 3.62Å; L98-L119 HydrophobicContact CD1-CG 4.47Å; L98-L119 HydrophobicContact CD2-CD1 4.28Å; L102-L119 HydrophobicContact CD1-CD2 4.21Å; L102-L119 HydrophobicContact CD2-CD2 3.81Å; L102-L119 HydrophobicContact CG-CD2 4.08Å; F115-L119 HydrophobicContact CD1-CD1 3.95Å; F115-L119 HydrophobicContact CD1-CG 4.48Å; F115-L119 HydrophobicContact CE1-CD1 3.43Å; F115-L119 VanDerWaalsContact CE1-CD1 3.43Å; F115-L119 HydrophobicContact CE1-CG 4.27Å; F115-L119 HydrophobicContact CE2-CD1 4.37Å; F115-L119 HydrophobicContact CZ-CD1 3.68Å; F115-L119 HydrophobicContact CZ-CG 4.3Å; F115-L119 PolarHBondContact O-N 3.45Å; K116-L119 PolarHBondContact O-N 3.42Å; L119-L123 HydrophobicContact CD2-CD1 3.85Å; L119-L123 HydrophobicContact CD2-CG 4.41Å; L119-L123 CarbonylContact O-C 3.57Å; L119-L123 WeakPolarHBondContact O-CA 3.23Å; L119-L123 PolarHBondContact O-N 2.96Å; L119-L123 VanDerWaalsContact O-N 3.1Å; L119-G124 PolarHBondContact O-N 3.15Å; L119-I125 PolarHBondContact O-N 3.34Å; L119-I131 HydrophobicContact CB-CD1 4.27Å; L119-I131 HydrophobicContact CB-CG1 4.21Å; L119-I131 HydrophobicContact CD1-CB 4.31Å; L119-I131 HydrophobicContact CD1-CG1 3.9Å; L119-I131 HydrophobicContact CD1-CG2 4.1Å
120S92.8Very high91.3Very high61 Ų6183.2 Ų83.243%0.42743%0.426SS..Hα-helixtrans-65.8-39.6176.1-173.80000113.1K116 F118 G124 I125K116-S120 WeakPolarHBondContact O-CB 3.35Å; K116-S120 PolarHBondContact O-N 3.1Å; F118-S120 VanDerWaalsContact C-N 3.34Å; F118-S120 PolarHBondContact O-N 3.2Å; S120-G124 VanDerWaalsContact O-CA 3.27Å; S120-G124 WeakPolarHBondContact O-CA 3.35Å; S120-G124 PolarHBondContact O-N 2.89Å; S120-I125 WeakPolarHBondContact CA-O 3.42Å
121N92.2Very high91.4Very high141 Ų14178 Ų7875%0.75441%0.407SS*.Hα-helixtrans-87-36.4-177.1-175.787.2000114.2K117 F118K117-N121 WeakPolarHBondContact O-CB 3.37Å; K117-N121 PolarHBondContact O-N 3.3Å; F118-N121 PolarHBondContact O-N 3Å
122S89.1Confident91.5Very high47 Ų4772.9 Ų72.933%0.32939%0.387SS..Hα-helixtrans-98.5-27.1-173-65.60000113.8Y105 F118Y105-S122 PolarHBondContact OH-O 3.25Å; F118-S122 WeakPolarHBondContact O-CA 3.24Å; F118-S122 VanDerWaalsContact O-CB 3.24Å; F118-S122 WeakPolarHBondContact O-CB 3.38Å; F118-S122 PolarHBondContact O-N 3.02Å
123L87.8Confident91.5Very high46 Ų4671.4 Ų71.424%0.24138%0.382CS..SBendtrans-114.4-1174.1-64.8-172.3000113.5L98 S101 Y105 L119 I125L98-L123 HydrophobicContact CD1-CD1 3.8Å; S101-L123 WeakPolarHBondContact OG-CD2 3.37Å; Y105-L123 HydrophobicContact CE2-CD2 3.87Å; L119-L123 HydrophobicContact CD2-CD1 3.85Å; L119-L123 HydrophobicContact CD2-CG 4.41Å; L119-L123 CarbonylContact O-C 3.57Å; L119-L123 WeakPolarHBondContact O-CA 3.23Å; L119-L123 PolarHBondContact O-N 2.96Å; L119-L123 VanDerWaalsContact O-N 3.1Å; L123-I125 HydrophobicContact CB-CD1 3.82Å; L123-I125 HydrophobicContact CB-CG1 3.88Å; L123-I125 HydrophobicContact CD1-CD1 4.11Å; L123-I125 PolarHBondContact O-N 3.3Å
124G88.1Confident91.4Very high42 Ų4267.7 Ų67.743%0.43335%0.351SS..  trans69.710.5178.800000114.9L119 S120 R126L119-G124 PolarHBondContact O-N 3.15Å; S120-G124 VanDerWaalsContact O-CA 3.27Å; S120-G124 WeakPolarHBondContact O-CA 3.35Å; S120-G124 PolarHBondContact O-N 2.89Å; G124-R126 PolarHBondContact O-N 3.5Å
125I87.1Confident91.4Very high37 Ų3762.8 Ų62.819%0.1933%0.329CS..  trans-76.8126.2-170.8-60.4174.5000110L98 L119 S120 L123 N127 I131L98-I125 HydrophobicContact CD1-CD1 3.45Å; L98-I125 VanDerWaalsContact CD1-CD1 3.45Å; L98-I125 HydrophobicContact CD2-CD1 4.15Å; L98-I125 HydrophobicContact CG-CD1 4.27Å; L119-I125 PolarHBondContact O-N 3.34Å; S120-I125 WeakPolarHBondContact CA-O 3.42Å; L123-I125 HydrophobicContact CB-CD1 3.82Å; L123-I125 HydrophobicContact CB-CG1 3.88Å; L123-I125 HydrophobicContact CD1-CD1 4.11Å; L123-I125 PolarHBondContact O-N 3.3Å; I125-N127 HydrophobicContact CG2-CB 4.48Å; I125-I131 HydrophobicContact CB-CD1 4.45Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å
126R86.9Confident91.4Very high215 Ų21568.7 Ų68.781%0.81136%0.357SS*.  trans-108.5-11178.7-57.5-174.2-174.188.5-1.1113.7G124 E128G124-R126 PolarHBondContact O-N 3.5Å; R126-E128 PolarHBondContact O-N 2.92Å; R126-E128 VanDerWaalsContact O-N 3.09Å
127N89.6Confident91.2Very high101 Ų10166.8 Ų66.854%0.5435%0.353SS..  trans-76.699-177-66.19.5000109.6I125 G129 L130 I131I125-N127 HydrophobicContact CG2-CB 4.48Å; N127-G129 PolarHBondContact O-N 2.88Å; N127-L130 HydrophobicContact CB-CB 4.14Å; N127-L130 HydrophobicContact CB-CD1 3.97Å; N127-L130 HydrophobicContact CB-CG 4.12Å; N127-L130 PolarHBondContact O-N 3.27Å; N127-I131 PolarHBondContact O-N 3.19Å
128E91.2Very high91.1Very high109 Ų10958.9 Ų58.951%0.50932%0.319SS..Hα-helixtrans-56.6-48.5-176-171.7140.216400112.5K116 R126 L130 I131 D132K116-E128 VanDerWaalsContact CE-OE2 3.23Å; K116-E128 WeakPolarHBondContact CE-OE2 3.35Å; K116-E128 IonicContact NZ-OE1 2.81Å; K116-E128 PolarHBondContact NZ-OE1 3.36Å; K116-E128 IonicContact NZ-OE2 2.63Å; K116-E128 PolarHBondContact NZ-OE2 3.07Å; R126-E128 PolarHBondContact O-N 2.92Å; R126-E128 VanDerWaalsContact O-N 3.09Å; E128-L130 PolarHBondContact O-N 3.47Å; E128-I131 WeakPolarHBondContact O-CA 3.36Å; E128-I131 WeakPolarHBondContact O-CB 3.1Å; E128-I131 PolarHBondContact O-N 3.4Å; E128-D132 PolarHBondContact O-N 3.3Å
129G91.3Very high91Very high47 Ų4758.7 Ų58.749%0.48532%0.321SS..Hα-helixtrans-54.3-46.3176.500000113.4N127 I131 D132 D133N127-G129 PolarHBondContact O-N 2.88Å; G129-I131 PolarHBondContact O-N 3.36Å; G129-D132 PolarHBondContact O-N 3.21Å; G129-D133 WeakPolarHBondContact O-CB 3.47Å; G129-D133 PolarHBondContact O-N 3.38Å
130L91.5Very high90.7Very high54 Ų5460.3 Ų60.328%0.28333%0.334SS..Hα-helixtrans-66.8-24.6178-66.6-179.9000113.5L98 N127 E128 A134L98-L130 WeakPolarHBondContact CD2-O 3.37Å; N127-L130 HydrophobicContact CB-CB 4.14Å; N127-L130 HydrophobicContact CB-CD1 3.97Å; N127-L130 HydrophobicContact CB-CG 4.12Å; N127-L130 PolarHBondContact O-N 3.27Å; E128-L130 PolarHBondContact O-N 3.47Å; L130-A134 VanDerWaalsContact O-CB 3.29Å; L130-A134 WeakPolarHBondContact O-CB 3.41Å; L130-A134 PolarHBondContact O-N 2.82Å
131I92.5Very high90.4Very high4 Ų457.6 Ų57.62%0.02132%0.315CS..Hα-helixtrans-75.9-42.1175.4-72.5169.6000110.3K116 L119 I125 N127 E128 G129 A134 W135K116-I131 HydrophobicContact CB-CG2 3.8Å; K116-I131 HydrophobicContact CG-CD1 4.45Å; K116-I131 HydrophobicContact CG-CG2 3.94Å; L119-I131 HydrophobicContact CB-CD1 4.27Å; L119-I131 HydrophobicContact CB-CG1 4.21Å; L119-I131 HydrophobicContact CD1-CB 4.31Å; L119-I131 HydrophobicContact CD1-CG1 3.9Å; L119-I131 HydrophobicContact CD1-CG2 4.1Å; I125-I131 HydrophobicContact CB-CD1 4.45Å; I125-I131 HydrophobicContact CG2-CD1 4.02Å; I125-I131 HydrophobicContact CG2-CG1 3.93Å; N127-I131 PolarHBondContact O-N 3.19Å; E128-I131 WeakPolarHBondContact O-CA 3.36Å; E128-I131 WeakPolarHBondContact O-CB 3.1Å; E128-I131 PolarHBondContact O-N 3.4Å; G129-I131 PolarHBondContact O-N 3.36Å; I131-A134 PolarHBondContact O-N 2.92Å; I131-W135 WeakPolarHBondContact O-CB 3.32Å; I131-W135 PolarHBondContact O-N 3.47Å
132D92.5Very high89.8Confident45 Ų4552.3 Ų52.324%0.24129%0.292CS..Hα-helixtrans-76.8-34.7178.8-70.9-51.3000111.9Q112 E128 G129 A134 W135 E136Q112-D132 PolarHBondContact NE2-OD1 2.88Å; E128-D132 PolarHBondContact O-N 3.3Å; G129-D132 PolarHBondContact O-N 3.21Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.03Å; D132-W135 PolarHBondContact O-N 3.01Å; D132-E136 WeakPolarHBondContact O-CB 3.42Å; D132-E136 PolarHBondContact O-N 3Å
133D91.5Very high89.2Confident60 Ų6056.6 Ų56.632%0.32130%0.304SS..Hα-helixtrans-54-46.7165.7-70.7-12.3000110.9L95 G129 E136 A137L95-D133 HydrophobicContact CD1-CB 3.85Å; G129-D133 WeakPolarHBondContact O-CB 3.47Å; G129-D133 PolarHBondContact O-N 3.38Å; D133-E136 PolarHBondContact O-N 2.87Å; D133-A137 WeakPolarHBondContact O-CB 3.38Å; D133-A137 PolarHBondContact O-N 3.22Å
134A92.3Very high88.2Confident0 Ų059.4 Ų59.40%032%0.32CS..Hα-helixtrans-68.7-38.6179.600000112.2L95 L98 L99 F115 L130 I131 D132 I138L95-A134 VanDerWaalsContact CD1-CA 3.5Å; L95-A134 HydrophobicContact CD1-CB 3.75Å; L98-A134 HydrophobicContact CD2-CB 3.7Å; L98-A134 HydrophobicContact CG-CB 4.13Å; L99-A134 HydrophobicContact CD2-CB 4.25Å; F115-A134 HydrophobicContact CE1-CB 4.35Å; F115-A134 HydrophobicContact CZ-CB 4.42Å; L130-A134 VanDerWaalsContact O-CB 3.29Å; L130-A134 WeakPolarHBondContact O-CB 3.41Å; L130-A134 PolarHBondContact O-N 2.82Å; I131-A134 PolarHBondContact O-N 2.92Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.03Å; A134-I138 VanDerWaalsContact O-CD1 3.25Å; A134-I138 WeakPolarHBondContact O-CD1 3.34Å; A134-I138 VanDerWaalsContact O-CG1 3.22Å; A134-I138 WeakPolarHBondContact O-CG1 3.42Å; A134-I138 PolarHBondContact O-N 2.83Å
135W93.2Very high86.9Confident44 Ų4460 Ų6017%0.16732%0.32CS..Hα-helixtrans-66.9-42.5174178.8-99.7000111.7W77 Q112 F115 I131 D132 S139W77-W135 HydrophobicContact CH2-CE3 4.24Å; W77-W135 AromaticContact CH2-CH2 3.86Å; W77-W135 HydrophobicContact CH2-CH2 3.86Å; W77-W135 AromaticContact CH2-CZ3 3.54Å; W77-W135 HydrophobicContact CH2-CZ3 3.54Å; W77-W135 HydrophobicContact CZ2-CH2 4.47Å; W77-W135 AromaticContact CZ2-CZ3 3.82Å; W77-W135 HydrophobicContact CZ2-CZ3 3.82Å; Q112-W135 HydrophobicContact CB-CD2 3.87Å; Q112-W135 HydrophobicContact CB-CE3 4.48Å; Q112-W135 HydrophobicContact CB-CG 4.21Å; Q112-W135 HydrophobicContact CB-CZ2 3.93Å; Q112-W135 HydrophobicContact CG-CD2 4Å; Q112-W135 HydrophobicContact CG-CG 3.8Å; Q112-W135 VanDerWaalsContact N-CH2 3.31Å; F115-W135 HydrophobicContact CB-CE3 3.77Å; F115-W135 HydrophobicContact CB-CZ3 3.89Å; F115-W135 HydrophobicContact CD1-CB 4.04Å; F115-W135 HydrophobicContact CD1-CD2 4.34Å; F115-W135 AromaticContact CD1-CE3 3.6Å; F115-W135 HydrophobicContact CD1-CE3 3.6Å; F115-W135 HydrophobicContact CD1-CZ3 4.48Å; F115-W135 HydrophobicContact CD2-CE3 4.2Å; F115-W135 HydrophobicContact CD2-CZ3 4.43Å; F115-W135 HydrophobicContact CE1-CB 3.94Å; F115-W135 HydrophobicContact CE1-CE3 4.15Å; F115-W135 AromaticContact CG-CE3 3.61Å; F115-W135 HydrophobicContact CG-CE3 3.61Å; F115-W135 HydrophobicContact CG-CZ3 4.06Å; I131-W135 WeakPolarHBondContact O-CB 3.32Å; I131-W135 PolarHBondContact O-N 3.47Å; D132-W135 PolarHBondContact O-N 3.01Å; W135-S139 VanDerWaalsContact O-CB 3.28Å; W135-S139 WeakPolarHBondContact O-CB 3.39Å; W135-S139 PolarHBondContact O-N 3.29Å; W135-S139 PolarHBondContact O-OG 2.86Å
136E93.1Very high85.2Confident125 Ų12565 Ų6558%0.58434%0.343SS*.Hα-helixtrans-62-49.5177.4179.3157.7-139.300110.7D132 D133 I138 S139 A140D132-E136 WeakPolarHBondContact O-CB 3.42Å; D132-E136 PolarHBondContact O-N 3Å; D133-E136 PolarHBondContact O-N 2.87Å; E136-I138 PolarHBondContact O-N 3.34Å; E136-S139 WeakPolarHBondContact CA-OG 3.45Å; E136-S139 CarbonylContact O-C 3.55Å; E136-S139 WeakPolarHBondContact O-CA 3.47Å; E136-S139 PolarHBondContact O-N 2.94Å; E136-S139 PolarHBondContact O-OG 2.88Å; E136-A140 PolarHBondContact O-N 2.97Å
137A91.3Very high83.2Confident25 Ų2560.9 Ų60.921%0.20734%0.344CS..Hα-helixtrans-53.8-51.317800000112.2A84 D133 S139 A140 S141A84-A137 HydrophobicContact CB-CB 4.38Å; D133-A137 WeakPolarHBondContact O-CB 3.38Å; D133-A137 PolarHBondContact O-N 3.22Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.18Å; A137-A140 PolarHBondContact O-N 3.46Å; A137-S141 PolarHBondContact O-N 3.18Å; A137-S141 VanDerWaalsContact O-N 3.13Å; A137-S141 PolarHBondContact O-OG 2.7Å; A137-S141 VanDerWaalsContact O-OG 3.1Å
138I91.8Very high81.1Confident0 Ų061.3 Ų61.30%036%0.355CS..Hα-helixtrans-64.4-35.3177.7-55.4157.8000111.1W77 Q80 V81 A84 L99 L102 F115 A134 E136 A142W77-I138 HydrophobicContact CE3-CG2 4.2Å; W77-I138 HydrophobicContact CH2-CB 4.28Å; W77-I138 HydrophobicContact CH2-CG2 3.45Å; W77-I138 VanDerWaalsContact CH2-CG2 3.45Å; W77-I138 HydrophobicContact CZ2-CG2 3.87Å; W77-I138 HydrophobicContact CZ3-CG2 3.64Å; Q80-I138 HydrophobicContact CB-CG2 4.18Å; V81-I138 HydrophobicContact CG2-CD1 3.91Å; V81-I138 HydrophobicContact CG2-CG1 4.09Å; V81-I138 HydrophobicContact CG2-CG2 3.89Å; A84-I138 HydrophobicContact CB-CB 4.43Å; A84-I138 HydrophobicContact CB-CG1 3.87Å; L99-I138 HydrophobicContact CD2-CD1 3.85Å; L99-I138 HydrophobicContact CD2-CG1 3.82Å; L102-I138 HydrophobicContact CD1-CD1 4.42Å; F115-I138 HydrophobicContact CE2-CD1 3.97Å; F115-I138 HydrophobicContact CZ-CD1 3.67Å; A134-I138 VanDerWaalsContact O-CD1 3.25Å; A134-I138 WeakPolarHBondContact O-CD1 3.34Å; A134-I138 VanDerWaalsContact O-CG1 3.22Å; A134-I138 WeakPolarHBondContact O-CG1 3.42Å; A134-I138 PolarHBondContact O-N 2.83Å; E136-I138 PolarHBondContact O-N 3.34Å; I138-A142 PolarHBondContact O-N 3Å
139S91.1Very high78.7Confident29 Ų2964.2 Ų64.220%0.20337%0.374CS..Hα-helixtrans-72.1-28.2177.284.60000113.5W135 E136 A137 A142 K143W135-S139 VanDerWaalsContact O-CB 3.28Å; W135-S139 WeakPolarHBondContact O-CB 3.39Å; W135-S139 PolarHBondContact O-N 3.29Å; W135-S139 PolarHBondContact O-OG 2.86Å; E136-S139 WeakPolarHBondContact CA-OG 3.45Å; E136-S139 CarbonylContact O-C 3.55Å; E136-S139 WeakPolarHBondContact O-CA 3.47Å; E136-S139 PolarHBondContact O-N 2.94Å; E136-S139 PolarHBondContact O-OG 2.88Å; A137-S139 VanDerWaalsContact C-N 3.29Å; A137-S139 PolarHBondContact O-N 3.18Å; S139-A142 WeakPolarHBondContact O-CB 3.21Å; S139-A142 PolarHBondContact O-N 3.1Å; S139-K143 WeakPolarHBondContact O-CG 3.49Å; S139-K143 PolarHBondContact O-N 3.09Å; S139-K143 VanDerWaalsContact O-N 3.12Å
140A88.9Confident76Confident34 Ų3465.1 Ų65.128%0.28138%0.384SS..Hα-helixtrans-70.1-49.2174.200000110.1E136 A137 A142 K143 D144E136-A140 PolarHBondContact O-N 2.97Å; A137-A140 PolarHBondContact O-N 3.46Å; A140-A142 PolarHBondContact O-N 3.38Å; A140-K143 WeakPolarHBondContact O-CA 3.29Å; A140-K143 WeakPolarHBondContact O-CB 3.22Å; A140-K143 PolarHBondContact O-N 2.83Å; A140-D144 PolarHBondContact O-N 2.88Å
141S85.4Confident73.5Confident4 Ų471.8 Ų71.83%0.02841%0.413CS..Hα-helixtrans-56.9-20.9172.2-44.50000113.7A84 Q87 A137A84-S141 PolarHBondContact N-OG 2.95Å; Q87-S141 PolarHBondContact OE1-OG 2.59Å; A137-S141 PolarHBondContact O-N 3.18Å; A137-S141 VanDerWaalsContact O-N 3.13Å; A137-S141 PolarHBondContact O-OG 2.7Å; A137-S141 VanDerWaalsContact O-OG 3.1Å
142A80.6Confident70.8Confident31 Ų3178.2 Ų78.226%0.25645%0.447SS..Hα-helixtrans-86.6-27173.300000114.1Q80 I138 S139 A140Q80-A142 HydrophobicContact CG-CB 4.28Å; I138-A142 PolarHBondContact O-N 3Å; S139-A142 WeakPolarHBondContact O-CB 3.21Å; S139-A142 PolarHBondContact O-N 3.1Å; A140-A142 PolarHBondContact O-N 3.38Å
143K75.6Confident68.2Low136 Ų13681.2 Ų81.259%0.59147%0.467SS*.Hα-helixtrans-75.6-45.2172.5-70.1167.4-172.2168.90111S139 A140 A145 Q146S139-K143 WeakPolarHBondContact O-CG 3.49Å; S139-K143 PolarHBondContact O-N 3.09Å; S139-K143 VanDerWaalsContact O-N 3.12Å; A140-K143 WeakPolarHBondContact O-CA 3.29Å; A140-K143 WeakPolarHBondContact O-CB 3.22Å; A140-K143 PolarHBondContact O-N 2.83Å; K143-A145 PolarHBondContact O-N 3.18Å; K143-Q146 PolarHBondContact O-N 2.89Å
144D66.5Low65.7Low106 Ų10687 Ų8757%0.56749%0.493SS*.THydrogen-bonded Turntrans-57.4-21.9178.6-59.5-15.3000113Q87 A140 Q146Q87-D144 PolarHBondContact NE2-OD2 2.96Å; A140-D144 PolarHBondContact O-N 2.88Å; D144-Q146 PolarHBondContact O-N 3.31Å
145A60.1Low63.2Low53 Ų5395.5 Ų95.544%0.43853%0.532SS..THydrogen-bonded Turntrans-78.52.9174.700000114.1K143K143-A145 PolarHBondContact O-N 3.18Å
146Q53.4Low60.7Low144 Ų14499.9 Ų99.967%0.67356%0.557SS**SBendtrans-120.8118.7167.1-60.8-69-10300107.5K143 D144 S148K143-Q146 PolarHBondContact O-N 2.89Å; D144-Q146 PolarHBondContact O-N 3.31Å; Q146-S148 PolarHBondContact O-N 3.07Å
147P44.8Very low58Low128 Ų128100.6 Ų100.683%0.83157%0.565SS**  trans-65.1108.9176.826.6-32.3000108.9
148S44.6Very low55.6Low110 Ų110105 Ų10577%0.76959%0.594SS**  trans-84.4112.4175.455.70000109.6Q146 G150Q146-S148 PolarHBondContact O-N 3.07Å; S148-G150 PolarHBondContact O-N 3.37Å
149D40.4Very low53.3Low169 Ų169114.1 Ų114.190%0.90464%0.637SS**  trans-55.4123159.8-74.4-57.8000109
150G34.9Very low50.6Low67 Ų67118.1 Ų118.169%0.69166%0.662SS**  trans-86.1121.4-17200000112.4S148S148-G150 PolarHBondContact O-N 3.37Å
151H40.1Very low48Very low194 Ų194122.6 Ų122.690%0.89869%0.686SS**  trans-136.4144.3139.9-12564000113.2
152N35.2Very low45.6Very low139 Ų139129.6 Ų129.674%0.74372%0.718SS**  trans-108.3-177.8179.1-165.48.4000108.4
153T37.9Very low43.7Very low108 Ų108136.5 Ų136.566%0.66375%0.745SS**  trans74.192.1158.6-40.90000116.6
154E38.1Very low41.9Very low182 Ų182137.5 Ų137.585%0.8575%0.752SS**  12.1129.7126.5-57.5179.9112.700120.5
155H39.9Very low40.6Very low178 Ų178140.5 Ų140.582%0.82476%0.763SS**  trans85.6146.8133.4-153.3-136.7000121.1
156I41.1Very low39.6Very low135 Ų135142.7 Ų142.769%0.69277%0.767SS**  trans72.789.1170.1-40-169.8000119.4
157D37.1Very low39Very low141 Ų141142.5 Ų142.575%0.75477%0.771SS**  8116.5127.9-173.933.7000120.8
158S39.2Very low38.8Very low118 Ų118144.5 Ų144.583%0.82577%0.766SS**  trans-171.9159.5136.2-85.40000112.1
159Q44.3Very low38.5Very low191 Ų191150.4 Ų150.489%0.89377%0.772SS**  trans-89.7164.9-170.7-90.5-166.639.700116.2
160P34.8Very low38.3Very low113 Ų113147.1 Ų147.173%0.73476%0.759SS**  trans-104.5169.5-167.741-36.5000116
161T34.2Very low38.5Very low128 Ų128150.6 Ų150.679%0.78576%0.761SS**  trans-144.3104.9169.2-40.10000108
162E35.1Very low38.4Very low151 Ų151149.1 Ų149.171%0.70676%0.755SS**  65.3101.187.4-81.8-148.6117.300117.8
163Q39.4Very low38.4Very low176 Ų176151.4 Ų151.482%0.82276%0.761SS**  trans-171.9118.7136.1-99144.279.900106.8
164Q39.4Very low38.4Very low156 Ų156154.5 Ų154.573%0.72977%0.766SS**  61.6124.375-60.9-179.220.700110.7
165E38.4Very low38.2Very low169 Ų169154.1 Ų154.179%0.7977%0.768SS**  cis-153.6-179.737.5-88.8-149.29800112.5
166N39.1Very low37.9Very low100 Ų100154.1 Ų154.154%0.53577%0.768SS.*  cis175.4116.5-33.2178.64.1000109.5
167N41.3Very low37.6Very low140 Ų140153 Ų15375%0.74977%0.768SS**  trans-168.4107.5147.5-109.6-48.8000115.1
168K39.8Very low37.6Very low170 Ų170152.4 Ų152.474%0.73977%0.769SS**  25.1140.3128.1-58.8170.9-172.7164.70119.5
169R39.2Very low37.5Very low234 Ų234151.6 Ų151.688%0.88376%0.764SS**  cis-160.5166.4-7.8-123.5-148.7161.4-155.8-3.2109.2
170P35Very low37.5Very low99 Ų99149.1 Ų149.164%0.64375%0.752SS**  trans-108.2-178.1-163.743.5-38.9000114.3
171L39.8Very low38Very low140 Ų140152.7 Ų152.773%0.73376%0.756SS**  -175.9122107.1-16563.5000114.9
172Q37.1Very low38.3Very low163 Ų163155.1 Ų155.176%0.76276%0.755SS**  trans63.2159.7152.6-73.7170.8-54.700123.9
173E36.2Very low38.9Very low188 Ų188156.8 Ų156.888%0.87976%0.755SS**  trans77.1150168.3-57.1-153131.900121.5
174K38.1Very low39.4Very low173 Ų173154.5 Ų154.575%0.75275%0.745SS**  trans8146.7160.8-142167-165.9163.10120.7E176K174-E176 PolarHBondContact O-N 3.05Å
175I33Very low39.6Very low174 Ų174154.9 Ų154.989%0.89274%0.744SS**  trans-94.664.3161.7-48.4179.7000110.7
176E35Very low40.3Very low177 Ų177151.2 Ų151.283%0.82773%0.733SS**  trans-152.415.7-177.9-137.5165.8-137.700118K174K174-E176 PolarHBondContact O-N 3.05Å
177T34.1Very low40.8Very low113 Ų113151.7 Ų151.769%0.69373%0.732SS**SBendtrans-129.436.1-170.9540000117.6
178T36.4Very low41.2Very low128 Ų128151.6 Ų151.679%0.78573%0.727SS**SBendtrans-130.5-16.4176.7-36.90000115.1
179S38.5Very low41.5Very low101 Ų101149.9 Ų149.971%0.70672%0.72SS**SBendtrans-85.6-23.8-165.7-57.90000115.9
180E44.6Very low41.8Very low138 Ų138143.3 Ų143.365%0.64570%0.702SS**SBendtrans-96-31-167.4-71-175.2106.100115.5K182 R183 Q184E180-K182 PolarHBondContact O-N 3.47Å; E180-R183 PolarHBondContact O-N 3.02Å; E180-Q184 PolarHBondContact O-N 3.06Å
181K44.6Very low42.6Very low188 Ų188142.9 Ų142.982%0.81769%0.691SS**Hα-helixtrans-61.2-15.4176.4-77.4-176.8175.4176.10113.6
182K40.6Very low43.1Very low179 Ų179143 Ų14378%0.77869%0.686SS**Hα-helixtrans-90.1-12.1173.8-156.9171.4-177.1177.90113.8E180E180-K182 PolarHBondContact O-N 3.47Å
183R46.5Very low43.6Very low187 Ų187140.9 Ų140.971%0.70668%0.676SS**Hα-helixtrans-93.5-44.6177.7-78.6-177.7163.4174.4-2.5113.1E180 K185 V186E180-R183 PolarHBondContact O-N 3.02Å; R183-K185 VanDerWaalsContact C-N 3.26Å; R183-K185 PolarHBondContact O-N 3Å; R183-V186 WeakPolarHBondContact O-CB 3.48Å; R183-V186 PolarHBondContact O-N 2.81Å
184Q51Low44.2Very low128 Ų128138.7 Ų138.760%0.59867%0.666SS**Hα-helixtrans-56-40.3-178.2-70.6169.8-2500112.4E180 V186 E187 E188E180-Q184 PolarHBondContact O-N 3.06Å; Q184-V186 PolarHBondContact O-N 2.76Å; Q184-E187 PolarHBondContact O-N 3.04Å; Q184-E187 VanDerWaalsContact O-N 3.15Å; Q184-E188 PolarHBondContact O-N 3.43Å
185K44.5Very low44.7Very low163 Ų163136.8 Ų136.871%0.70966%0.66SS**Hα-helixtrans-67.8-1.4177.4-165.5153.7-170.4151.80115.3R183R183-K185 VanDerWaalsContact C-N 3.26Å; R183-K185 PolarHBondContact O-N 3Å
186V51.9Low45.4Very low92 Ų92135.5 Ų135.556%0.55865%0.648SS**Hα-helixtrans-101.4-33173.5-176.50000111.2R183 Q184R183-V186 WeakPolarHBondContact O-CB 3.48Å; R183-V186 PolarHBondContact O-N 2.81Å; Q184-V186 PolarHBondContact O-N 2.76Å
187E49.5Very low46.2Very low111 Ų111133.3 Ų133.352%0.51964%0.641SS.*Hα-helixtrans-74.2-46.5177-64.4-172116.300111Q184 K189 N190 E191Q184-E187 PolarHBondContact O-N 3.04Å; Q184-E187 VanDerWaalsContact O-N 3.15Å; E187-K189 PolarHBondContact O-N 2.96Å; E187-N190 PolarHBondContact O-N 3.23Å; E187-N190 VanDerWaalsContact O-N 3.12Å; E187-E191 PolarHBondContact O-N 3.15Å
188E49.1Very low46.8Very low137 Ų137131.4 Ų131.464%0.6464%0.637SS**Hα-helixtrans-57.5-22.7177.6-164.8-165.3168.100113.7Q184Q184-E188 PolarHBondContact O-N 3.43Å
189K45.9Very low47.1Very low135 Ų135130.2 Ų130.259%0.58763%0.629SS**Hα-helixtrans-87.5-29.7-179.4-156.8-178.8174.7-77.30113.4E187 E193E187-K189 PolarHBondContact O-N 2.96Å; K189-E193 IonicContact NZ-OE2 3.15Å
190N46.4Very low47.5Very low95 Ų95131.8 Ų131.851%0.50863%0.628SS.*Hα-helixtrans-74.8-38.8177.7-89.337.4000111.8E187 K192 E193 E194E187-N190 PolarHBondContact O-N 3.23Å; E187-N190 VanDerWaalsContact O-N 3.12Å; N190-K192 PolarHBondContact O-N 2.81Å; N190-E193 PolarHBondContact O-N 3.12Å; N190-E194 PolarHBondContact O-N 3.01Å; N190-E194 VanDerWaalsContact O-N 3.08Å
191E52.3Low47.4Very low90 Ų90134 Ų13442%0.42164%0.639SS.*Hα-helixtrans-59.9-32.6-177.5-67173.1155.900111.1E187 E193 E195 K345E187-E191 PolarHBondContact O-N 3.15Å; E191-E193 PolarHBondContact O-N 3.03Å; E191-E195 WeakPolarHBondContact O-CB 3.27Å; E191-E195 PolarHBondContact O-N 3.24Å; E191-E195 VanDerWaalsContact O-N 3.16Å; E191-K345 IonicContact OE1-NZ 2.76Å; E191-K345 PolarHBondContact OE1-NZ 2.66Å
192K49.7Very low47.3Very low143 Ų143129.2 Ų129.262%0.62263%0.634SS**Hα-helixtrans-80.4-4.1174.7-120165.1-170.9156.60116.1N190N190-K192 PolarHBondContact O-N 2.81Å
193E48.4Very low47Very low118 Ų118127.9 Ų127.955%0.55164%0.635SS**Hα-helixtrans-100.3-36.8169.2-83.5179.2104.200111.3K189 N190 E191 K196 L197K189-E193 IonicContact NZ-OE2 3.15Å; N190-E193 PolarHBondContact O-N 3.12Å; E191-E193 PolarHBondContact O-N 3.03Å; E193-K196 PolarHBondContact O-N 3.16Å; E193-L197 PolarHBondContact O-N 2.96Å
194E48.5Very low46.3Very low142 Ų142122.2 Ų122.266%0.66464%0.636SS**Hα-helixtrans-67.1-43.4174-71179.711300112.1N190 K196 L197 A198N190-E194 PolarHBondContact O-N 3.01Å; N190-E194 VanDerWaalsContact O-N 3.08Å; E194-K196 PolarHBondContact O-N 3.49Å; E194-L197 PolarHBondContact O-N 2.94Å; E194-A198 PolarHBondContact O-N 2.73Å
195E47.3Very low45.6Very low134 Ų134124.6 Ų124.663%0.62665%0.646SS**Hα-helixtrans-59-34.9176.6-169.4-178.6-179.500112.3E191 A198 T199E191-E195 WeakPolarHBondContact O-CB 3.27Å; E191-E195 PolarHBondContact O-N 3.24Å; E191-E195 VanDerWaalsContact O-N 3.16Å; E195-A198 PolarHBondContact O-N 3.17Å; E195-T199 PolarHBondContact O-N 2.75Å; E195-T199 PolarHBondContact O-OG1 2.7Å; E195-T199 VanDerWaalsContact O-OG1 3.07Å
196K48.5Very low45Very low147 Ų147121.9 Ų121.964%0.63965%0.648SS**Hα-helixtrans-77.7-21179.5-78.6-167.9171.2-166.40114.9E193 E194 I200E193-K196 PolarHBondContact O-N 3.16Å; E194-K196 PolarHBondContact O-N 3.49Å; K196-I200 WeakPolarHBondContact O-CD1 3.05Å; K196-I200 WeakPolarHBondContact O-CG1 3.24Å
197L51.6Low44.2Very low131 Ų131121.3 Ų121.369%0.68666%0.66SS**Hα-helixtrans-74.4-42.9168.5-102.965.4000110.2E193 E194 T199 I200E193-L197 PolarHBondContact O-N 2.96Å; E194-L197 PolarHBondContact O-N 2.94Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.17Å; L197-I200 PolarHBondContact O-N 3.22Å; L197-I200 VanDerWaalsContact O-N 3.15Å
198A47Very low43.5Very low73 Ų73126.2 Ų126.260%0.60368%0.68SS**Hα-helixtrans-61-34.5-176.800000113.9E194 E195 I200E194-A198 PolarHBondContact O-N 2.73Å; E195-A198 PolarHBondContact O-N 3.17Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 PolarHBondContact O-N 3.09Å
199T43.5Very low43Very low103 Ų103129.6 Ų129.663%0.63269%0.693SS**THydrogen-bonded Turntrans-72.9-17.9179.3-27.70000113.9E195 L197E195-T199 PolarHBondContact O-N 2.75Å; E195-T199 PolarHBondContact O-OG1 2.7Å; E195-T199 VanDerWaalsContact O-OG1 3.07Å; L197-T199 VanDerWaalsContact C-N 3.32Å; L197-T199 PolarHBondContact O-N 3.17Å
200I46.6Very low42.4Very low133 Ų133128.5 Ų128.568%0.68270%0.702SS**THydrogen-bonded Turntrans-86-30.9-173.2-66.8174.6000111.9K196 L197 A198 A202K196-I200 WeakPolarHBondContact O-CD1 3.05Å; K196-I200 WeakPolarHBondContact O-CG1 3.24Å; L197-I200 PolarHBondContact O-N 3.22Å; L197-I200 VanDerWaalsContact O-N 3.15Å; A198-I200 VanDerWaalsContact C-N 3.29Å; A198-I200 PolarHBondContact O-N 3.09Å; I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.08Å
201E42.8Very low42Very low185 Ų185135.3 Ų135.386%0.86472%0.72SS**THydrogen-bonded Turntrans-83.8-4.4-178.2-56.1-155.1135.900114
202A40.9Very low41.3Very low88 Ų88139.3 Ų139.373%0.72774%0.737SS**THydrogen-bonded Turntrans-87.3-4.9-177.600000115.1I200I200-A202 VanDerWaalsContact C-N 3.32Å; I200-A202 PolarHBondContact O-N 3.08Å
203N36.1Very low40.4Very low150 Ų150138.4 Ų138.480%0.80275%0.747SS**  trans-126.261.2-168.8-152.10.5000113.1
204G31.6Very low39.9Very low69 Ų69140 Ų14071%0.71176%0.758SS**  trans-92.5120.3179.100000113.3
205H35.2Very low39.2Very low178 Ų178138.4 Ų138.482%0.82476%0.763SS**  trans-137.9120163.5-13565.8000114.1
206S32Very low38.7Very low105 Ų105139.8 Ų139.873%0.73478%0.775SS**  trans24.2112.8156.962.30000120
207G34.8Very low37.9Very low80 Ų80138.4 Ų138.483%0.82578%0.783SS**  trans-155.253.4171.900000114.6K209G207-K209 PolarHBondContact O-N 3.2Å; G207-K209 VanDerWaalsContact O-N 3.17Å
208K35.1Very low37.3Very low215 Ų215136.4 Ų136.494%0.93579%0.786SS**  trans-62.9113.1180-70.9179.5-180174.70111.5
209K38.9Very low36.7Very low207 Ų207137.7 Ų137.790%0.979%0.79SS**  trans-148.6127.5154.7-125.1166.6-172.9171.90112.9G207G207-K209 PolarHBondContact O-N 3.2Å; G207-K209 VanDerWaalsContact O-N 3.17Å
210S32.5Very low36.6Very low112 Ų112138.6 Ų138.678%0.78379%0.791SS**  trans-62146-176.3177.70000113
211R38.9Very low36.2Very low238 Ų238141.8 Ų141.890%0.89879%0.794SS**  trans-124.2115.3151.5-72-171.2-174.9163.73.8108.6
212K38.2Very low35.8Very low175 Ų175140.1 Ų140.176%0.76179%0.791SS**  trans-76.9118.9173.5-176.8173-178.6175.30108.8
213C30Very low35.8Very low123 Ų123143.9 Ų143.983%0.83180%0.799SS**  trans-70.9130.5169.7-61.80000109.5
214L38.2Very low35.9Very low151 Ų151143.3 Ų143.379%0.79180%0.796SS**  trans-131.797.7165.1-86.2168.3000107.9
215S33.5Very low36.2Very low110 Ų110147.1 Ų147.177%0.76980%0.799SS**  trans-73.9131.4164.749.10000109.2
216N36.9Very low36.3Very low163 Ų163143.2 Ų143.287%0.87280%0.798SS**  trans-145.7125.5156.7-142.434000109.6
217S32.3Very low36.4Very low117 Ų117144.5 Ų144.582%0.81880%0.796SS**  trans-144.376.9-170.858.20000111.4
218A37.7Very low36.5Very low89 Ų89145 Ų14574%0.73679%0.787SS**  trans-174.9153.4171.300000108.2
219S35.7Very low36.5Very low100 Ų100142.8 Ų142.870%0.69978%0.78SS**  cis-170.4162.6-24-169.60000107.7
220L40.3Very low36.4Very low123 Ų123138.7 Ų138.764%0.64478%0.778SS**  trans73.7120.1171.3-44.8-176.5000115.2
221R38.3Very low36.5Very low200 Ų200138.5 Ų138.576%0.75578%0.776SS**  77.9105.798.6-68.7175.5-170.31694.4112.9
222D35.1Very low36.4Very low149 Ų149131.2 Ų131.280%0.79777%0.767SS**  70.3105.388.9-69.1-62.7000111.9
223D39.8Very low36.2Very low168 Ų168129 Ų12990%0.89877%0.768SS**  -163.4-176103.1-126.1-54.8000112.4
224N38.7Very low36.4Very low138 Ų138131.4 Ų131.474%0.73877%0.765SS**  trans-119-175.9-152.3-158.9-7.6000115.9
225L37.8Very low36.3Very low149 Ų149129.8 Ų129.878%0.7876%0.762SS**  trans87129.8178.8-72.358.2000114.6
226A37.7Very low36.4Very low95 Ų95129.9 Ų129.979%0.78576%0.758SS**  cis78.7140.641.400000112.7
227N34Very low36.5Very low133 Ų133126.2 Ų126.271%0.71175%0.75SS**  cis-154.8175.25.5-175.836000110.2
228S37.1Very low36.9Very low91 Ų91129.1 Ų129.164%0.63675%0.748SS**  trans63.8159.2152.448.80000119.6
229E33.9Very low37Very low167 Ų167130.5 Ų130.578%0.7874%0.743SS**  cis-178.8170.4-41-113.8176.5129.200107.5
230S38.4Very low37.2Very low121 Ų121132.7 Ų132.785%0.84675%0.747SS**  trans69.4159.3167.380.70000118.7
231S33.7Very low37.1Very low108 Ų108134.5 Ų134.576%0.75575%0.752SS**  cis-170.5146.1-37.7-171.50000110.9
232A37Very low37.3Very low85 Ų85130.3 Ų130.370%0.70275%0.749SS**  trans62.4166.1159.200000117.2
233T33.2Very low37.6Very low129 Ų129128.8 Ų128.879%0.79175%0.747SS**  cis-154129.4-16.26.20000106.6
234F35.3Very low37.5Very low174 Ų174124.7 Ų124.776%0.76373%0.731SS**  66.5112.193.6-166.5-83.1000117.7T236F234-T236 HydrophobicContact CE1-CG2 4.31Å; F234-T236 HydrophobicContact CZ-CG2 4.45Å
235T36.9Very low37.6Very low117 Ų117125.2 Ų125.272%0.71873%0.734SS**  trans172.9114.2144.532.70000108.5
236T34.4Very low37.7Very low112 Ų112124.6 Ų124.669%0.68773%0.731SS**  56.5137.391.962.30000116.3F234F234-T236 HydrophobicContact CE1-CG2 4.31Å; F234-T236 HydrophobicContact CZ-CG2 4.45Å
237A38.7Very low37.8Very low86 Ų86127.4 Ų127.471%0.71173%0.728SS**  cis-172.2-172.1-8.800000109.7
238K40.6Very low37.9Very low178 Ų178125.6 Ų125.677%0.77473%0.726SS**  trans94.2120.3165.9-54.5-152.5161.8-148.10117.3
239D39.8Very low37.8Very low118 Ų118130.4 Ų130.463%0.63174%0.735SS**  84123.568.5-51.2-19000109.7
240D41Very low37.7Very low146 Ų146126.7 Ų126.778%0.78173%0.728SS**  cis-141.7-150.6-13-76-50.5000107.7
241E38.5Very low37.2Very low160 Ų160128.1 Ų128.175%0.74873%0.731SS**  cis-158.4-1714.5-130.1-57.643.800109.1
242V41.4Very low37Very low113 Ų113126.1 Ų126.169%0.68573%0.728SS**  trans-142.1-170-178.8-114.70000110.4
243P41.4Very low37Very low117 Ų117131.7 Ų131.776%0.7674%0.739SS**  cis-104.5-128.2-22.213.911.4000111.8
244S39Very low36.8Very low81 Ų81133.8 Ų133.857%0.56674%0.74SS**  cis-161.1174.83.9-50.30000112.3
245D40.1Very low36.8Very low149 Ų149135 Ų13580%0.79775%0.749SS**  trans58.4145.1148.5-49.4-24.8000120.6
246D38.6Very low36.5Very low137 Ų137134.9 Ų134.973%0.73375%0.747SS**  cis-152.6-165.1-0.9-154.2-114.4000114.4
247H40.2Very low36.5Very low154 Ų154138.9 Ų138.971%0.71376%0.758SS**  trans-62.5174.7-178-79.8-109.9000116.8
248S36.1Very low36Very low95 Ų95143.6 Ų143.666%0.66476%0.763SS**  cis-178.2157-24-93.30000113.6
249K34.8Very low35.6Very low192 Ų192144.9 Ų144.984%0.83577%0.771SS**  trans78.6131.9134.7178.9178.9173.8-170.50124.3
250S32.9Very low35Very low89 Ų89146.4 Ų146.462%0.62277%0.772SS**  trans74.510714769.50000125.6
251T28.2Very low34.6Very low150 Ų150146.1 Ų146.192%0.9278%0.776SS**  61.6126.8108.5-39.50000122.9
252G29.3Very low34.3Very low67 Ų67145.7 Ų145.769%0.69177%0.774SS**  trans127.4144.2160.400000112.7
253Q35.9Very low33.6Very low201 Ų201148 Ų14894%0.93978%0.777SS**  cis-144.4176.4-10.5-83.6-176.8-112.800109.4
254E29.2Very low33.1Very low174 Ų174150.6 Ų150.681%0.81379%0.785SS**  trans-77.5150.4175.7-64.3161.498.400113.1
255E35.2Very low32.6Very low200 Ų200152.9 Ų152.994%0.93579%0.79SS**  trans-126.8148.7149.1-72.4-164.1135.600109.6
256V31.1Very low32Very low114 Ų114153.4 Ų153.469%0.69179%0.788SS**  trans-135.3126.7-173.1172.90000108.9
257E34.3Very low31.7Very low196 Ų196155.8 Ų155.892%0.91679%0.794SS**  trans-113.3147168.1-160.9160.7-15100110.7
258K28Very low31.2Very low185 Ų185156 Ų15680%0.80479%0.793SS**  trans-121.3148.1-174.4-63.3171.5-179.2168.60109.2
259E32.8Very low30.8Very low205 Ų205158.1 Ų158.196%0.95879%0.793SS**  trans-138.3158.4146.3-127.4-177.9171.700111.8
260K27.8Very low30.6Very low149 Ų149155.8 Ų155.865%0.64879%0.789SS**  trans-153.5109.1-153.8173.5-111.6-170.6-174.20111.8E262K260-E262 HydrophobicContact CD-CG 4.32Å; K260-E262 WeakPolarHBondContact CE-OE1 3.49Å; K260-E262 IonicContact NZ-OE1 2.59Å; K260-E262 PolarHBondContact NZ-OE1 2.86Å
261V32.4Very low30.4Very low141 Ų141159.1 Ų159.186%0.85580%0.799SS**  trans-141.797.8160.4-174.50000105.1
262E31.2Very low30.5Very low151 Ų151156.6 Ų156.671%0.70679%0.794SS**  82.9152.475.1-78.7-171178.400114.7K260K260-E262 HydrophobicContact CD-CG 4.32Å; K260-E262 WeakPolarHBondContact CE-OE1 3.49Å; K260-E262 IonicContact NZ-OE1 2.59Å; K260-E262 PolarHBondContact NZ-OE1 2.86Å
263E26.8Very low30.7Very low161 Ų161160.1 Ų160.175%0.75280%0.801SS**  trans-118.5146.3-148.8176.4-176.5162.700110.2
264N31.6Very low30.5Very low172 Ų172156.9 Ų156.992%0.9280%0.796SS**  trans-152.7153.5149.2-107.5-57.2000111.1
265N27.4Very low30.7Very low128 Ų128157.9 Ų157.968%0.68480%0.8SS**  trans-123-177.9-160.7-156.4-20.4000110.9
266E29Very low30.6Very low161 Ų161155.2 Ų155.275%0.75280%0.798SS**  trans62.9104.2170.6-52.5-167.799.800117.5
267H31Very low30.6Very low186 Ų186154.3 Ų154.386%0.86180%0.797SS**  -158171.7104.9-115.658.6000115.6
268K29.7Very low30.3Very low160 Ų160152.7 Ų152.770%0.69679%0.794SS**  trans-91.7157.4-164.3-117.6167.6146-129.20113.8
269E27.5Very low30.6Very low138 Ų138148.2 Ų148.265%0.64579%0.792SS**  trans71147.9148.9-70.5169.986.500119.9
270N30.7Very low31Very low143 Ų143148.5 Ų148.577%0.76578%0.784SS**  trans70.6157.8164.2-61.3-43.6000118.5
271L30.2Very low32Very low159 Ų159150.8 Ų150.883%0.83279%0.794SS**  cis-167.589.8-30.917566.5000108.3
272A29.1Very low33.1Very low98 Ų98147.9 Ų147.981%0.8177%0.773SS**  trans-159.192.6173.300000112.8
273V33.8Very low34.7Very low140 Ų140147.7 Ų147.785%0.84877%0.77SS**  trans-106.5116.8153.3174.10000105.7E275V273-E275 PolarHBondContact O-N 3.2Å
274T32.3Very low37Very low134 Ų134144.9 Ų144.982%0.82276%0.756SS**  trans-62.5132.1-176.732.50000111.3T276T274-T276 PolarHBondContact O-N 3.29Å
275E32Very low39.2Very low194 Ų194145.4 Ų145.491%0.90775%0.75SS**  trans-77.9122.5-176.5-60.4-168.8118.900111.4V273V273-E275 PolarHBondContact O-N 3.2Å
276T34Very low41.6Very low144 Ų144145 Ų14588%0.88375%0.745SS**  trans-118.2130.5151.246.60000108.5T274T274-T276 PolarHBondContact O-N 3.29Å
277S31.2Very low44.2Very low96 Ų96137.4 Ų137.467%0.67171%0.71SS**  trans-99.2178.6-16147.40000113.2
278N28Very low46.7Very low161 Ų161131.5 Ų131.586%0.86168%0.681SS**  trans84.127.8162.5-47.9-34.9000119.8
279A33.9Very low49.4Very low91 Ų91126.2 Ų126.275%0.75267%0.668SS**SBendtrans-132102.6161.900000112.9K281A279-K281 PolarHBondContact O-N 3.19Å
280R41Very low52.2Low211 Ų211120.6 Ų120.680%0.79664%0.644SS**  trans-40119.8-174.8-64.6165179.9155.82.4114L282R280-L282 PolarHBondContact O-N 3.18Å
281K48.4Very low54.8Low198 Ų198113.8 Ų113.886%0.86161%0.608SS**  trans-56.590.1174-70.6172.4-179.9167.10111.7A279 K283A279-K281 PolarHBondContact O-N 3.19Å; K281-K283 PolarHBondContact O-N 3.4Å
282L56.1Low57.5Low79 Ų79111.3 Ų111.341%0.41459%0.591SS.*  trans-59.5113.9172.3-167.479.7000108.9R280 K284 L316R280-L282 PolarHBondContact O-N 3.18Å; L282-K284 PolarHBondContact O-N 3.41Å; L282-L316 HydrophobicContact CD2-CD1 3.74Å; L282-L316 HydrophobicContact CD2-CD2 4.19Å; L282-L316 HydrophobicContact CD2-CG 4.47Å
283K65.9Low60.2Low148 Ų148110.9 Ų110.964%0.64357%0.574SS**  trans-65.7130.4-164.2-63.9176.2-178.1173.60109.7K281 K285 M286 F287K281-K283 PolarHBondContact O-N 3.4Å; K283-K285 PolarHBondContact O-N 3.03Å; K283-M286 PolarHBondContact O-N 2.62Å; K283-F287 PolarHBondContact O-N 3.16Å
284K74.9Confident62.8Low102 Ų102105 Ų10544%0.44354%0.538SS..Hα-helixtrans-50.7-27.4179.3-172.5175.1-179.3179.10113.1L282 K288 L333 K336L282-K284 PolarHBondContact O-N 3.41Å; K284-K288 WeakPolarHBondContact O-CG 3.31Å; K284-K288 PolarHBondContact O-N 3.08Å; K284-L333 HydrophobicContact CD-CD2 4.25Å; K284-L333 HydrophobicContact CG-CD2 4.23Å; K284-K336 PolarHBondContact NZ-O 3.34Å
285K77.9Confident65.3Low183 Ų18398.6 Ų98.680%0.79650%0.499SS*.Hα-helixtrans-64.7-46172.2-63.8-172.1177.2-173.90113.3K283 K288 A289K283-K285 PolarHBondContact O-N 3.03Å; K285-K288 PolarHBondContact O-N 3.49Å; K285-A289 PolarHBondContact O-N 3.16Å
286M77.4Confident67.8Low118 Ų11893.5 Ų93.558%0.58148%0.481SS*.Hα-helixtrans-68.6-41.2179.6-78.3168.4151.700112K283 K288 A289 A290K283-M286 PolarHBondContact O-N 2.62Å; M286-K288 PolarHBondContact O-N 2.91Å; M286-A289 PolarHBondContact O-N 2.96Å; M286-A290 PolarHBondContact O-N 2.89Å
287F83Confident70.2Confident3 Ų393.8 Ų93.81%0.01347%0.472CS..Hα-helixtrans-56.5-49.8171.8177.8-95.7000111.7K283 A289 A290 V291 I312 L316 I330 L333 L334K283-F287 PolarHBondContact O-N 3.16Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 2.93Å; F287-A290 PolarHBondContact O-N 2.96Å; F287-V291 HydrophobicContact CD1-CG2 4.15Å; F287-V291 HydrophobicContact CE1-CG2 3.69Å; F287-V291 HydrophobicContact CE2-CG2 4.08Å; F287-V291 HydrophobicContact CZ-CG2 3.64Å; F287-V291 WeakPolarHBondContact O-CG2 3.39Å; F287-V291 PolarHBondContact O-N 3.27Å; F287-I312 HydrophobicContact CE2-CD1 4.16Å; F287-I312 HydrophobicContact CE2-CG2 4.26Å; F287-I312 HydrophobicContact CZ-CD1 4.36Å; F287-L316 HydrophobicContact CD2-CD1 4.38Å; F287-I330 HydrophobicContact CE2-CB 4.34Å; F287-I330 HydrophobicContact CE2-CG1 3.7Å; F287-I330 HydrophobicContact CZ-CB 4.38Å; F287-I330 HydrophobicContact CZ-CG1 4.16Å; F287-L333 HydrophobicContact CB-CD1 4.01Å; F287-L333 HydrophobicContact CD1-CB 3.84Å; F287-L333 HydrophobicContact CD1-CD1 3.55Å; F287-L333 HydrophobicContact CD1-CG 4.35Å; F287-L333 HydrophobicContact CD2-CD1 4.11Å; F287-L333 HydrophobicContact CE1-CB 3.51Å; F287-L333 HydrophobicContact CE1-CD1 4.03Å; F287-L333 HydrophobicContact CE1-CG 4.44Å; F287-L333 HydrophobicContact CG-CD1 3.6Å; F287-L333 HydrophobicContact CZ-CB 4.03Å; F287-L333 HydrophobicContact CZ-CD1 4.5Å; F287-L334 HydrophobicContact CE1-CD2 4.22Å; F287-L334 HydrophobicContact CZ-CD2 4.17Å; F287-L334 HydrophobicContact CZ-CG 4.37Å
288K84.7Confident72.7Confident62 Ų6291.2 Ų91.227%0.2745%0.453SS..Hα-helixtrans-58.3-39.7176.3-83.3-172.6161.5-153.10113.1K284 K285 M286 K292 C337K284-K288 WeakPolarHBondContact O-CG 3.31Å; K284-K288 PolarHBondContact O-N 3.08Å; K285-K288 PolarHBondContact O-N 3.49Å; M286-K288 PolarHBondContact O-N 2.91Å; K288-K292 WeakPolarHBondContact O-CB 3.33Å; K288-K292 PolarHBondContact O-N 3.26Å; K288-C337 WeakPolarHBondContact CE-SG 3.41Å
289A85.5Confident74.8Confident49 Ų4989 Ų8941%0.40546%0.456SS..Hα-helixtrans-64.9-48.3177.400000111.4K285 M286 F287 V291 K292 N293K285-A289 PolarHBondContact O-N 3.16Å; M286-A289 PolarHBondContact O-N 2.96Å; F287-A289 VanDerWaalsContact C-N 3.3Å; F287-A289 PolarHBondContact O-N 2.93Å; A289-V291 PolarHBondContact O-N 3.18Å; A289-K292 PolarHBondContact O-N 3.35Å; A289-N293 PolarHBondContact O-N 2.72Å; A289-N293 PolarHBondContact O-OD1 3.15Å
290A85.3Confident76.8Confident19 Ų1990.8 Ų90.816%0.15745%0.45CS..Hα-helixtrans-58.5-47.5177.100000112.2M286 F287 K292 N293 I294M286-A290 PolarHBondContact O-N 2.89Å; F287-A290 PolarHBondContact O-N 2.96Å; A290-K292 VanDerWaalsContact C-N 3.35Å; A290-K292 PolarHBondContact O-N 3.45Å; A290-N293 PolarHBondContact O-N 2.73Å; A290-I294 WeakPolarHBondContact O-CD1 3.34Å; A290-I294 VanDerWaalsContact O-CG1 3.24Å; A290-I294 WeakPolarHBondContact O-CG1 3.45Å; A290-I294 PolarHBondContact O-N 3.21Å; A290-I294 VanDerWaalsContact O-N 3.12Å
291V85.6Confident78.5Confident0 Ų082.1 Ų82.10%043%0.426CS..Hα-helixtrans-60.5-43.3176.2-179.60000111.5F287 A289 L295 L308 I312 L334 F340F287-V291 HydrophobicContact CD1-CG2 4.15Å; F287-V291 HydrophobicContact CE1-CG2 3.69Å; F287-V291 HydrophobicContact CE2-CG2 4.08Å; F287-V291 HydrophobicContact CZ-CG2 3.64Å; F287-V291 WeakPolarHBondContact O-CG2 3.39Å; F287-V291 PolarHBondContact O-N 3.27Å; A289-V291 PolarHBondContact O-N 3.18Å; V291-L295 HydrophobicContact CG1-CD1 3.91Å; V291-L295 WeakPolarHBondContact O-CG 3.2Å; V291-L295 PolarHBondContact O-N 3.4Å; V291-L308 HydrophobicContact CG1-CD1 4.46Å; V291-L308 HydrophobicContact CG1-CD2 4.17Å; V291-I312 HydrophobicContact CG2-CD1 3.73Å; V291-I312 HydrophobicContact CG2-CG1 4.42Å; V291-L334 HydrophobicContact CG1-CD2 4.22Å; V291-L334 HydrophobicContact CG2-CD2 4.35Å; V291-F340 HydrophobicContact CB-CE1 4.23Å; V291-F340 HydrophobicContact CB-CE2 3.97Å; V291-F340 HydrophobicContact CB-CZ 3.66Å; V291-F340 HydrophobicContact CG1-CD1 3.95Å; V291-F340 HydrophobicContact CG1-CD2 4.02Å; V291-F340 HydrophobicContact CG1-CE1 3.58Å; V291-F340 HydrophobicContact CG1-CE2 3.64Å; V291-F340 HydrophobicContact CG1-CG 4.17Å; V291-F340 HydrophobicContact CG1-CZ 3.42Å; V291-F340 VanDerWaalsContact CG1-CZ 3.42Å
292K86.7Confident80.1Confident108 Ų10878.6 Ų78.647%0.4741%0.407SS..Hα-helixtrans-64.2-48.4179.3-171.2179.4178.8-174.30111.4K288 A289 A290 I294 L295 T296 F340K288-K292 WeakPolarHBondContact O-CB 3.33Å; K288-K292 PolarHBondContact O-N 3.26Å; A289-K292 PolarHBondContact O-N 3.35Å; A290-K292 VanDerWaalsContact C-N 3.35Å; A290-K292 PolarHBondContact O-N 3.45Å; K292-I294 PolarHBondContact O-N 2.71Å; K292-L295 PolarHBondContact O-N 3.1Å; K292-T296 HydrophobicContact CG-CG2 4.38Å; K292-T296 PolarHBondContact O-N 2.89Å; K292-T296 PolarHBondContact O-OG1 3.14Å; K292-T296 VanDerWaalsContact O-OG1 3.1Å; K292-F340 HydrophobicContact CB-CE1 4.49Å
293N87.3Confident81.6Confident88 Ų8875.8 Ų75.847%0.47139%0.392SS..Hα-helixtrans-58.5-50-178.8-74.626.4000111.6A289 A290 L295 T296 E297A289-N293 PolarHBondContact O-N 2.72Å; A289-N293 PolarHBondContact O-OD1 3.15Å; A290-N293 PolarHBondContact O-N 2.73Å; N293-L295 VanDerWaalsContact C-N 3.25Å; N293-L295 PolarHBondContact O-N 3.06Å; N293-T296 WeakPolarHBondContact CA-OG1 3.37Å; N293-T296 PolarHBondContact O-N 2.76Å; N293-T296 VanDerWaalsContact O-N 3.07Å; N293-T296 PolarHBondContact O-OG1 3.4Å; N293-E297 WeakPolarHBondContact O-CB 3.25Å; N293-E297 WeakPolarHBondContact O-CG 3.4Å; N293-E297 PolarHBondContact O-N 3.08Å
294I87.6Confident82.7Confident16 Ų1673.5 Ų73.58%0.08238%0.382CS..Hα-helixtrans-59.6-36.2179.4-64.6163.4000111.6A290 K292 T298 M303 L308 A311 I312A290-I294 WeakPolarHBondContact O-CD1 3.34Å; A290-I294 VanDerWaalsContact O-CG1 3.24Å; A290-I294 WeakPolarHBondContact O-CG1 3.45Å; A290-I294 PolarHBondContact O-N 3.21Å; A290-I294 VanDerWaalsContact O-N 3.12Å; K292-I294 PolarHBondContact O-N 2.71Å; I294-T298 PolarHBondContact O-N 2.84Å; I294-T298 PolarHBondContact O-OG1 2.69Å; I294-M303 HydrophobicContact CG2-CE 3.69Å; I294-M303 HydrophobicContact CG2-SD 3.73Å; I294-L308 HydrophobicContact CB-CD1 4.34Å; I294-L308 HydrophobicContact CD1-CD1 4.43Å; I294-L308 HydrophobicContact CG2-CD1 3.94Å; I294-A311 HydrophobicContact CD1-CB 3.93Å; I294-A311 HydrophobicContact CG1-CB 4.45Å; I294-A311 HydrophobicContact CG2-CB 3.87Å; I294-I312 HydrophobicContact CD1-CG1 4.01Å
295L85.7Confident83.3Confident0 Ų070 Ų700%037%0.368CS..Hα-helixtrans-74.3-35.7175.7-73.2169.4000112.8V291 K292 N293 T298 M303 F340 I349V291-L295 HydrophobicContact CG1-CD1 3.91Å; V291-L295 WeakPolarHBondContact O-CG 3.2Å; V291-L295 PolarHBondContact O-N 3.4Å; K292-L295 PolarHBondContact O-N 3.1Å; N293-L295 VanDerWaalsContact C-N 3.25Å; N293-L295 PolarHBondContact O-N 3.06Å; L295-T298 PolarHBondContact O-N 2.78Å; L295-M303 HydrophobicContact CD2-CB 4.5Å; L295-M303 HydrophobicContact CD2-CG 3.77Å; L295-M303 HydrophobicContact CD2-SD 3.75Å; L295-M303 HydrophobicContact CG-SD 4.4Å; L295-F340 HydrophobicContact CD1-CD1 3.71Å; L295-F340 HydrophobicContact CD1-CE1 3.97Å; L295-I349 HydrophobicContact CB-CD1 3.8Å; L295-I349 HydrophobicContact CB-CG1 3.7Å; L295-I349 HydrophobicContact CD1-CG1 3.84Å; L295-I349 HydrophobicContact CG-CG1 4.37Å
296T84.9Confident83.7Confident87 Ų8769.5 Ų69.553%0.53437%0.366SS..Hα-helixtrans-75.1-26.4175.648.90000113.9K292 N293 T298 I349K292-T296 HydrophobicContact CG-CG2 4.38Å; K292-T296 PolarHBondContact O-N 2.89Å; K292-T296 PolarHBondContact O-OG1 3.14Å; K292-T296 VanDerWaalsContact O-OG1 3.1Å; N293-T296 WeakPolarHBondContact CA-OG1 3.37Å; N293-T296 PolarHBondContact O-N 2.76Å; N293-T296 VanDerWaalsContact O-N 3.07Å; N293-T296 PolarHBondContact O-OG1 3.4Å; T296-T298 PolarHBondContact O-N 3.13Å; T296-I349 HydrophobicContact CG2-CD1 3.72Å
297E83.5Confident84.2Confident150 Ų15070.9 Ų70.970%0.70137%0.369SS*.SBendtrans-73.4-16.5171.1-72.6164.1-157.300112.2N293N293-E297 WeakPolarHBondContact O-CB 3.25Å; N293-E297 WeakPolarHBondContact O-CG 3.4Å; N293-E297 PolarHBondContact O-N 3.08Å
298T83.3Confident84.5Confident43 Ų4370.7 Ų70.726%0.26437%0.368SS..SBendtrans-90.3115.6178.4-58.60000110.1I294 L295 T296 E300 G301 R302I294-T298 PolarHBondContact O-N 2.84Å; I294-T298 PolarHBondContact O-OG1 2.69Å; L295-T298 PolarHBondContact O-N 2.78Å; T296-T298 PolarHBondContact O-N 3.13Å; T298-E300 PolarHBondContact O-N 3.01Å; T298-G301 PolarHBondContact O-N 3.01Å; T298-R302 VanDerWaalsContact CG2-O 3.31Å; T298-R302 WeakPolarHBondContact CG2-O 3.19Å
299A71.7Confident84.6Confident113 Ų11371.4 Ų71.493%0.93437%0.369SS*.THydrogen-bonded Turntrans-55.4-20.4-17000000117
300E75.7Confident84.7Confident130 Ų13076.6 Ų76.661%0.60738%0.383SS*.THydrogen-bonded Turntrans-97.41.1176.3-60-173.3152.700114T298 R302T298-E300 PolarHBondContact O-N 3.01Å; E300-R302 HydrophobicContact CB-CG 3.83Å; E300-R302 PolarHBondContact O-N 3.07Å; E300-R302 IonicContact OE1-NH2 2.62Å; E300-R302 PolarHBondContact OE1-NH2 3.09Å; E300-R302 IonicContact OE2-CZ 2.73Å; E300-R302 IonicContact OE2-NE 3.68Å; E300-R302 PolarHBondContact OE2-NE 3.41Å; E300-R302 IonicContact OE2-NH2 2.7Å; E300-R302 PolarHBondContact OE2-NH2 3.29Å
301G77.6Confident84.8Confident29 Ų2977.1 Ų77.130%0.29939%0.387SS..SBendtrans64.31.6-17400000115.5T298 S348 I349T298-G301 PolarHBondContact O-N 3.01Å; G301-S348 WeakPolarHBondContact O-CA 3.42Å; G301-I349 PolarHBondContact O-N 3.43Å
302R82.4Confident84.8Confident123 Ų12377.1 Ų77.146%0.46439%0.387SS..EExtended strand (participates in β ladder)trans-130.9149.7-177.970.8179.6-171.9171.7-1.9110.9T298 E300 I347T298-R302 VanDerWaalsContact CG2-O 3.31Å; T298-R302 WeakPolarHBondContact CG2-O 3.19Å; E300-R302 HydrophobicContact CB-CG 3.83Å; E300-R302 PolarHBondContact O-N 3.07Å; E300-R302 IonicContact OE1-NH2 2.62Å; E300-R302 PolarHBondContact OE1-NH2 3.09Å; E300-R302 IonicContact OE2-CZ 2.73Å; E300-R302 IonicContact OE2-NE 3.68Å; E300-R302 PolarHBondContact OE2-NE 3.41Å; E300-R302 IonicContact OE2-NH2 2.7Å; E300-R302 PolarHBondContact OE2-NH2 3.29Å; R302-I347 CarbonylContact C-O 3.57Å; R302-I347 VanDerWaalsContact CA-O 3.32Å; R302-I347 WeakPolarHBondContact CA-O 3.5Å
303M87.8Confident84.8Confident21 Ų2172.7 Ų72.710%0.10337%0.369CS..EExtended strand (participates in β ladder)trans-149163.9172.973.7-166.6-46.900112.6I294 L295 K307 L308 Y346 I347I294-M303 HydrophobicContact CG2-CE 3.69Å; I294-M303 HydrophobicContact CG2-SD 3.73Å; L295-M303 HydrophobicContact CD2-CB 4.5Å; L295-M303 HydrophobicContact CD2-CG 3.77Å; L295-M303 HydrophobicContact CD2-SD 3.75Å; L295-M303 HydrophobicContact CG-SD 4.4Å; M303-K307 HydrophobicContact CE-CB 4.08Å; M303-L308 HydrophobicContact CE-CB 4.36Å; M303-L308 HydrophobicContact CG-CB 3.99Å; M303-L308 HydrophobicContact SD-CB 3.64Å; M303-L308 HydrophobicContact SD-CD1 3.62Å; M303-L308 HydrophobicContact SD-CG 4.14Å; M303-Y346 CarbonylContact O-C 3.6Å; M303-Y346 WeakPolarHBondContact O-CA 3.29Å; M303-I347 HydrophobicContact CG-CG2 3.98Å; M303-I347 PolarHBondContact N-O 3.4Å; M303-I347 PolarHBondContact O-N 3.15Å
304K89.3Confident84.7Confident99 Ų9977.2 Ų77.243%0.4338%0.384SS..EExtended strand (participates in β ladder)trans-70.4136.7173.3-70.8-173.6175.6-173.40110.4K306 K307 L308 K345 Y346K304-K306 PolarHBondContact O-N 3.12Å; K304-K307 HydrophobicContact CB-CG 4.41Å; K304-K307 WeakPolarHBondContact O-CA 3.43Å; K304-K307 WeakPolarHBondContact O-CB 3.38Å; K304-K307 PolarHBondContact O-N 3.1Å; K304-L308 PolarHBondContact O-N 3.21Å; K304-K345 WeakPolarHBondContact CA-O 3.48Å; K304-Y346 HydrophobicContact CD-CE1 4.17Å; K304-Y346 WeakPolarHBondContact CE-OH 3.28Å; K304-Y346 HydrophobicContact CG-CD1 3.76Å; K304-Y346 HydrophobicContact CG-CE1 3.39Å
305L86Confident84.4Confident29 Ų2980.6 Ų80.615%0.15241%0.406CS..Hα-helixtrans-56-38.4-178.2-169.871.2000112.5K307 L308 R309 L334 K345 I347L305-K307 VanDerWaalsContact C-N 3.3Å; L305-K307 PolarHBondContact O-N 3.26Å; L305-L308 PolarHBondContact O-N 3.35Å; L305-R309 PolarHBondContact O-N 3.49Å; L305-L334 HydrophobicContact CD1-CD1 3.67Å; L305-K345 PolarHBondContact N-O 3.24Å; L305-I347 HydrophobicContact CD1-CB 4.45Å; L305-I347 HydrophobicContact CD1-CG2 4.2Å
306K86.6Confident83.8Confident173 Ų17381.8 Ų81.875%0.75241%0.412SS*.Hα-helixtrans-64.9-26174.3-66.6-177.9179.8176.70113.8K304K304-K306 PolarHBondContact O-N 3.12Å
307K88Confident83.1Confident146 Ų14680.9 Ų80.964%0.63541%0.409SS*.Hα-helixtrans-77.3-46.2170.3-74.4-170.8174.3-172.90110.5M303 K304 L305 R309 K310 A311M303-K307 HydrophobicContact CE-CB 4.08Å; K304-K307 HydrophobicContact CB-CG 4.41Å; K304-K307 WeakPolarHBondContact O-CA 3.43Å; K304-K307 WeakPolarHBondContact O-CB 3.38Å; K304-K307 PolarHBondContact O-N 3.1Å; L305-K307 VanDerWaalsContact C-N 3.3Å; L305-K307 PolarHBondContact O-N 3.26Å; K307-R309 PolarHBondContact O-N 3.14Å; K307-K310 PolarHBondContact O-N 2.97Å; K307-A311 PolarHBondContact O-N 2.92Å
308L88.8Confident82.3Confident0 Ų078 Ų780%040%0.402CS..Hα-helixtrans-56.9-49.6178.9179.662.8000111.3V291 I294 M303 K304 L305 K310 A311 I312 L334 I347V291-L308 HydrophobicContact CG1-CD1 4.46Å; V291-L308 HydrophobicContact CG1-CD2 4.17Å; I294-L308 HydrophobicContact CB-CD1 4.34Å; I294-L308 HydrophobicContact CD1-CD1 4.43Å; I294-L308 HydrophobicContact CG2-CD1 3.94Å; M303-L308 HydrophobicContact CE-CB 4.36Å; M303-L308 HydrophobicContact CG-CB 3.99Å; M303-L308 HydrophobicContact SD-CB 3.64Å; M303-L308 HydrophobicContact SD-CD1 3.62Å; M303-L308 HydrophobicContact SD-CG 4.14Å; K304-L308 PolarHBondContact O-N 3.21Å; L305-L308 PolarHBondContact O-N 3.35Å; L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 3.04Å; L308-A311 PolarHBondContact O-N 2.86Å; L308-I312 HydrophobicContact CD1-CD1 3.74Å; L308-I312 HydrophobicContact CD1-CG1 3.79Å; L308-I312 HydrophobicContact CD2-CD1 4.07Å; L308-I312 HydrophobicContact CG-CD1 3.58Å; L308-I312 HydrophobicContact CG-CG1 4.08Å; L308-I312 WeakPolarHBondContact O-CG1 3.41Å; L308-I312 PolarHBondContact O-N 3.41Å; L308-L334 HydrophobicContact CD2-CD1 4.28Å; L308-L334 HydrophobicContact CD2-CD2 4.45Å; L308-I347 HydrophobicContact CB-CG2 4.22Å; L308-I347 HydrophobicContact CD2-CD1 3.72Å; L308-I347 HydrophobicContact CD2-CG1 4.45Å; L308-I347 HydrophobicContact CD2-CG2 3.71Å
309R88.2Confident81.1Confident76 Ų7683.9 Ų83.929%0.28743%0.432SS..Hα-helixtrans-51.9-46.8178.2-75.4180-179178.110.6112L305 K307 I312 V313 L327 I330 D331L305-R309 PolarHBondContact O-N 3.49Å; K307-R309 PolarHBondContact O-N 3.14Å; R309-I312 PolarHBondContact O-N 2.84Å; R309-V313 WeakPolarHBondContact O-CG2 3.21Å; R309-V313 PolarHBondContact O-N 3.17Å; R309-L327 HydrophobicContact CB-CD2 3.89Å; R309-L327 HydrophobicContact CG-CD2 4.06Å; R309-I330 HydrophobicContact CB-CD1 4.4Å; R309-I330 HydrophobicContact CG-CD1 4.25Å; R309-I330 HydrophobicContact CG-CG2 4.1Å; R309-D331 IonicContact CZ-OD1 3.21Å; R309-D331 IonicContact CZ-OD2 2.7Å; R309-D331 IonicContact NE-OD1 3.29Å; R309-D331 PolarHBondContact NE-OD1 3.41Å; R309-D331 VanDerWaalsContact NE-OD1 3.1Å; R309-D331 IonicContact NE-OD2 2.83Å; R309-D331 IonicContact NH1-OD2 2.69Å; R309-D331 IonicContact NH2-OD1 3.75Å; R309-D331 PolarHBondContact NH2-OD1 2.76Å; R309-D331 IonicContact NH2-OD2 3.16Å; R309-D331 PolarHBondContact NH2-OD2 2.87Å
310K86.7Confident80.6Confident159 Ų15983.9 Ų83.969%0.69142%0.416SS*.Hα-helixtrans-66.5-37.5177.5-70.4-167.5172.5-156.80113.7K307 L308 K314K307-K310 PolarHBondContact O-N 2.97Å; L308-K310 VanDerWaalsContact C-N 3.29Å; L308-K310 PolarHBondContact O-N 3.04Å; K310-K314 WeakPolarHBondContact O-CB 3.41Å; K310-K314 PolarHBondContact O-N 3.03Å
311A86.7Confident80.2Confident30 Ų3080.9 Ų80.925%0.24841%0.407CS..Hα-helixtrans-69-38.9176.800000112.3I294 K307 L308 K314 T315I294-A311 HydrophobicContact CD1-CB 3.93Å; I294-A311 HydrophobicContact CG1-CB 4.45Å; I294-A311 HydrophobicContact CG2-CB 3.87Å; K307-A311 PolarHBondContact O-N 2.92Å; L308-A311 PolarHBondContact O-N 2.86Å; A311-K314 PolarHBondContact O-N 3.33Å; A311-T315 WeakPolarHBondContact O-CG2 3.35Å; A311-T315 PolarHBondContact O-N 3.27Å; A311-T315 PolarHBondContact O-OG1 3.43Å
312I85.9Confident80.1Confident0 Ų081.9 Ų81.90%041%0.409CS..Hα-helixtrans-65.7-46.7173.6-64.9172.2000110.7F287 V291 I294 L308 R309 K314 T315 L316 V326 I330F287-I312 HydrophobicContact CE2-CD1 4.16Å; F287-I312 HydrophobicContact CE2-CG2 4.26Å; F287-I312 HydrophobicContact CZ-CD1 4.36Å; V291-I312 HydrophobicContact CG2-CD1 3.73Å; V291-I312 HydrophobicContact CG2-CG1 4.42Å; I294-I312 HydrophobicContact CD1-CG1 4.01Å; L308-I312 HydrophobicContact CD1-CD1 3.74Å; L308-I312 HydrophobicContact CD1-CG1 3.79Å; L308-I312 HydrophobicContact CD2-CD1 4.07Å; L308-I312 HydrophobicContact CG-CD1 3.58Å; L308-I312 HydrophobicContact CG-CG1 4.08Å; L308-I312 WeakPolarHBondContact O-CG1 3.41Å; L308-I312 PolarHBondContact O-N 3.41Å; R309-I312 PolarHBondContact O-N 2.84Å; I312-K314 PolarHBondContact O-N 2.78Å; I312-T315 WeakPolarHBondContact CA-OG1 3.36Å; I312-T315 PolarHBondContact O-N 3.14Å; I312-T315 VanDerWaalsContact O-N 3.16Å; I312-T315 PolarHBondContact O-OG1 3.49Å; I312-L316 HydrophobicContact CG2-CD1 3.47Å; I312-L316 VanDerWaalsContact CG2-CD1 3.47Å; I312-L316 HydrophobicContact CG2-CG 4.15Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.22Å; I312-L316 PolarHBondContact O-N 3.32Å; I312-V326 HydrophobicContact CG2-CG1 4.16Å; I312-I330 HydrophobicContact CB-CD1 3.92Å; I312-I330 HydrophobicContact CB-CG1 4.4Å; I312-I330 HydrophobicContact CD1-CD1 4.06Å; I312-I330 HydrophobicContact CD1-CG1 3.86Å; I312-I330 HydrophobicContact CD1-CG2 4.37Å; I312-I330 HydrophobicContact CG2-CD1 3.73Å; I312-I330 HydrophobicContact CG2-CG1 3.89Å
313V86.6Confident80Confident14 Ų1481.3 Ų81.39%0.08541%0.411CS..Hα-helixtrans-56.7-52.3174.6169.40000109.5R309 T315 L316 S317 E323 V326 L327R309-V313 WeakPolarHBondContact O-CG2 3.21Å; R309-V313 PolarHBondContact O-N 3.17Å; V313-T315 PolarHBondContact O-N 2.91Å; V313-L316 PolarHBondContact O-N 3.21Å; V313-L316 VanDerWaalsContact O-N 3.16Å; V313-S317 VanDerWaalsContact O-CB 3.26Å; V313-S317 WeakPolarHBondContact O-CB 3.24Å; V313-S317 PolarHBondContact O-N 3.45Å; V313-S317 PolarHBondContact O-OG 3.27Å; V313-E323 HydrophobicContact CG1-CG 3.95Å; V313-E323 HydrophobicContact CG2-CG 4.03Å; V313-V326 HydrophobicContact CG2-CB 4.31Å; V313-V326 HydrophobicContact CG2-CG1 3.82Å; V313-L327 HydrophobicContact CG2-CD2 4.39Å; V313-L327 HydrophobicContact CG2-CG 4.46Å
314K85.2Confident79.7Confident183 Ų18387.8 Ų87.880%0.79644%0.441SS*.Hα-helixtrans-58.1-24.4178.1-171.9176.7178.2-172.80114.8K310 A311 I312K310-K314 WeakPolarHBondContact O-CB 3.41Å; K310-K314 PolarHBondContact O-N 3.03Å; A311-K314 PolarHBondContact O-N 3.33Å; I312-K314 PolarHBondContact O-N 2.78Å
315T81.8Confident79.3Confident87 Ų8788 Ų8853%0.53445%0.447SS..Hα-helixtrans-100.7-13.1179.847.40000114.5A311 I312 V313A311-T315 WeakPolarHBondContact O-CG2 3.35Å; A311-T315 PolarHBondContact O-N 3.27Å; A311-T315 PolarHBondContact O-OG1 3.43Å; I312-T315 WeakPolarHBondContact CA-OG1 3.36Å; I312-T315 PolarHBondContact O-N 3.14Å; I312-T315 VanDerWaalsContact O-N 3.16Å; I312-T315 PolarHBondContact O-OG1 3.49Å; V313-T315 PolarHBondContact O-N 2.91Å
316L73.5Confident79.1Confident26 Ų2687.1 Ų87.114%0.13644%0.443CS..Hα-helixtrans-116.9-11.9-179.9-62-179000114.1L282 F287 I312 V313 T318L282-L316 HydrophobicContact CD2-CD1 3.74Å; L282-L316 HydrophobicContact CD2-CD2 4.19Å; L282-L316 HydrophobicContact CD2-CG 4.47Å; F287-L316 HydrophobicContact CD2-CD1 4.38Å; I312-L316 HydrophobicContact CG2-CD1 3.47Å; I312-L316 VanDerWaalsContact CG2-CD1 3.47Å; I312-L316 HydrophobicContact CG2-CG 4.15Å; I312-L316 WeakPolarHBondContact O-CB 3.48Å; I312-L316 WeakPolarHBondContact O-CG 3.22Å; I312-L316 PolarHBondContact O-N 3.32Å; V313-L316 PolarHBondContact O-N 3.21Å; V313-L316 VanDerWaalsContact O-N 3.16Å; L316-T318 PolarHBondContact O-N 3.32Å; L316-T318 PolarHBondContact O-OG1 3.12Å
317S69.9Low79Confident68 Ų6881.1 Ų81.148%0.47642%0.419SS..  trans-59.6100168.8-77.60000110.1V313V313-S317 VanDerWaalsContact O-CB 3.26Å; V313-S317 WeakPolarHBondContact O-CB 3.24Å; V313-S317 PolarHBondContact O-N 3.45Å; V313-S317 PolarHBondContact O-OG 3.27Å
318T66.7Low78.8Confident89 Ų8977.2 Ų77.255%0.54641%0.414SS..  trans-120.8158.2165.447.60000106.4L316 N320 V321L316-T318 PolarHBondContact O-N 3.32Å; L316-T318 PolarHBondContact O-OG1 3.12Å; T318-N320 PolarHBondContact O-N 3.25Å; T318-V321 PolarHBondContact O-N 2.85Å
319D57.8Low78.4Confident166 Ų16683.1 Ų83.189%0.88844%0.436SS*.THydrogen-bonded Turntrans-68.211.2-155.6-38.8-74.5000116.1
320N60.7Low78.2Confident113 Ų11379.5 Ų79.560%0.60442%0.423SS*.THydrogen-bonded Turntrans-134.518.1-170.7-70.5-117.8000112.5T318T318-N320 PolarHBondContact O-N 3.25Å
321V67.3Low78.1Confident68 Ų6875 Ų7541%0.41241%0.406SS..  trans-137.6129.6179.1-163.80000110.4T318 D325 V326T318-V321 PolarHBondContact O-N 2.85Å; V321-D325 HydrophobicContact CG1-CB 4.21Å; V321-V326 HydrophobicContact CB-CG2 4.48Å; V321-V326 HydrophobicContact CG1-CG2 3.7Å
322S75.5Confident78Confident49 Ų4977.8 Ų77.834%0.34341%0.414SS..  trans-73.6151177.280.90000111.8E324 D325 V326S322-E324 PolarHBondContact O-N 2.78Å; S322-D325 WeakPolarHBondContact CB-OD2 3.3Å; S322-D325 PolarHBondContact O-N 3.46Å; S322-D325 WeakPolarHBondContact OG-CB 3.45Å; S322-D325 PolarHBondContact OG-N 3.14Å; S322-D325 PolarHBondContact OG-OD2 3.37Å; S322-V326 WeakPolarHBondContact O-CG2 3.31Å; S322-V326 PolarHBondContact O-N 3.17Å
323E80.3Confident77.8Confident112 Ų11278.3 Ų78.352%0.52342%0.417SS..Hα-helixtrans-60.7-35.2174.4-178.1171-176.500111.1V313 V326 L327V313-E323 HydrophobicContact CG1-CG 3.95Å; V313-E323 HydrophobicContact CG2-CG 4.03Å; E323-V326 PolarHBondContact O-N 2.71Å; E323-L327 HydrophobicContact CG-CD1 3.94Å; E323-L327 HydrophobicContact CG-CG 4.38Å; E323-L327 WeakPolarHBondContact O-CB 3.46Å; E323-L327 VanDerWaalsContact O-CG 3.24Å; E323-L327 WeakPolarHBondContact O-CG 3.21Å; E323-L327 PolarHBondContact O-N 3.06Å
324E81.6Confident77.6Confident157 Ų15778 Ų7873%0.73441%0.414SS*.Hα-helixtrans-69.2-39.8-179.2-63.2177.214600111.8S322 L327 A328S322-E324 PolarHBondContact O-N 2.78Å; E324-L327 PolarHBondContact O-N 2.96Å; E324-A328 WeakPolarHBondContact O-CB 3.48Å; E324-A328 PolarHBondContact O-N 3.18Å
325D81.4Confident77.5Confident102 Ų10274.3 Ų74.355%0.54541%0.409SS..Hα-helixtrans-61-44.2170.6-74.7-58.4000111.6V321 S322 R329V321-D325 HydrophobicContact CG1-CB 4.21Å; S322-D325 WeakPolarHBondContact CB-OD2 3.3Å; S322-D325 PolarHBondContact O-N 3.46Å; S322-D325 WeakPolarHBondContact OG-CB 3.45Å; S322-D325 PolarHBondContact OG-N 3.14Å; S322-D325 PolarHBondContact OG-OD2 3.37Å; D325-R329 VanDerWaalsContact O-CB 3.23Å; D325-R329 WeakPolarHBondContact O-CB 3.34Å; D325-R329 PolarHBondContact O-N 2.96Å
326V81.4Confident77.6Confident11 Ų1175.9 Ų75.97%0.06741%0.408CS..Hα-helixtrans-63.1-43.3178.2176.70000110.4I312 V313 V321 S322 E323 R329 I330I312-V326 HydrophobicContact CG2-CG1 4.16Å; V313-V326 HydrophobicContact CG2-CB 4.31Å; V313-V326 HydrophobicContact CG2-CG1 3.82Å; V321-V326 HydrophobicContact CB-CG2 4.48Å; V321-V326 HydrophobicContact CG1-CG2 3.7Å; S322-V326 WeakPolarHBondContact O-CG2 3.31Å; S322-V326 PolarHBondContact O-N 3.17Å; E323-V326 PolarHBondContact O-N 2.71Å; V326-R329 PolarHBondContact O-N 3.03Å; V326-I330 HydrophobicContact CG1-CD1 3.95Å; V326-I330 WeakPolarHBondContact O-CD1 3.43Å; V326-I330 VanDerWaalsContact O-CG1 3.24Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.49Å
327L84.1Confident77.9Confident48 Ų4874.8 Ų74.825%0.25140%0.403SS..Hα-helixtrans-63.9-48.6177.3-71.3169000112.4R309 V313 E323 E324 R329 I330 D331R309-L327 HydrophobicContact CB-CD2 3.89Å; R309-L327 HydrophobicContact CG-CD2 4.06Å; V313-L327 HydrophobicContact CG2-CD2 4.39Å; V313-L327 HydrophobicContact CG2-CG 4.46Å; E323-L327 HydrophobicContact CG-CD1 3.94Å; E323-L327 HydrophobicContact CG-CG 4.38Å; E323-L327 WeakPolarHBondContact O-CB 3.46Å; E323-L327 VanDerWaalsContact O-CG 3.24Å; E323-L327 WeakPolarHBondContact O-CG 3.21Å; E323-L327 PolarHBondContact O-N 3.06Å; E324-L327 PolarHBondContact O-N 2.96Å; L327-R329 PolarHBondContact O-N 3.14Å; L327-I330 HydrophobicContact CD2-CD1 4.32Å; L327-I330 WeakPolarHBondContact O-CB 3.48Å; L327-I330 PolarHBondContact O-N 2.86Å; L327-D331 PolarHBondContact O-N 2.62Å; L327-D331 VanDerWaalsContact O-N 3.09Å
328A83.7Confident78.6Confident64 Ų6481.5 Ų81.553%0.52942%0.424SS..Hα-helixtrans-59.5-36174.100000111.7E324 H332E324-A328 WeakPolarHBondContact O-CB 3.48Å; E324-A328 PolarHBondContact O-N 3.18Å; A328-H332 VanDerWaalsContact O-CB 3.29Å; A328-H332 WeakPolarHBondContact O-CB 3.34Å; A328-H332 PolarHBondContact O-N 3.01Å
329R80.8Confident79.4Confident123 Ų12381.9 Ų81.946%0.46442%0.419SS..Hα-helixtrans-71-36.1176.7-152.869.6175.8174.5-3.2113.1D325 V326 L327 L333D325-R329 VanDerWaalsContact O-CB 3.23Å; D325-R329 WeakPolarHBondContact O-CB 3.34Å; D325-R329 PolarHBondContact O-N 2.96Å; V326-R329 PolarHBondContact O-N 3.03Å; L327-R329 PolarHBondContact O-N 3.14Å; R329-L333 HydrophobicContact CG-CD1 3.88Å; R329-L333 HydrophobicContact CG-CG 4.36Å; R329-L333 WeakPolarHBondContact O-CB 3.49Å; R329-L333 WeakPolarHBondContact O-CG 3.39Å; R329-L333 PolarHBondContact O-N 2.76Å
330I84.3Confident80.8Confident1 Ų174.9 Ų74.91%0.00538%0.381CS..Hα-helixtrans-59.3-55.3172.8-70.4156000109.4F287 R309 I312 V326 L327 H332 L333 L334F287-I330 HydrophobicContact CE2-CB 4.34Å; F287-I330 HydrophobicContact CE2-CG1 3.7Å; F287-I330 HydrophobicContact CZ-CB 4.38Å; F287-I330 HydrophobicContact CZ-CG1 4.16Å; R309-I330 HydrophobicContact CB-CD1 4.4Å; R309-I330 HydrophobicContact CG-CD1 4.25Å; R309-I330 HydrophobicContact CG-CG2 4.1Å; I312-I330 HydrophobicContact CB-CD1 3.92Å; I312-I330 HydrophobicContact CB-CG1 4.4Å; I312-I330 HydrophobicContact CD1-CD1 4.06Å; I312-I330 HydrophobicContact CD1-CG1 3.86Å; I312-I330 HydrophobicContact CD1-CG2 4.37Å; I312-I330 HydrophobicContact CG2-CD1 3.73Å; I312-I330 HydrophobicContact CG2-CG1 3.89Å; V326-I330 HydrophobicContact CG1-CD1 3.95Å; V326-I330 WeakPolarHBondContact O-CD1 3.43Å; V326-I330 VanDerWaalsContact O-CG1 3.24Å; V326-I330 WeakPolarHBondContact O-CG1 3.43Å; V326-I330 PolarHBondContact O-N 3.49Å; L327-I330 HydrophobicContact CD2-CD1 4.32Å; L327-I330 WeakPolarHBondContact O-CB 3.48Å; L327-I330 PolarHBondContact O-N 2.86Å; I330-H332 VanDerWaalsContact C-N 3.33Å; I330-H332 PolarHBondContact O-N 3.4Å; I330-L333 PolarHBondContact O-N 3.16Å; I330-L334 HydrophobicContact CG2-CD1 3.53Å; I330-L334 HydrophobicContact CG2-CG 3.98Å; I330-L334 WeakPolarHBondContact O-CG 3.26Å; I330-L334 PolarHBondContact O-N 3.04Å
331D84.6Confident82Confident64 Ų6472.3 Ų72.334%0.34237%0.369SS..Hα-helixtrans-69.2-30.7-172.7-69.4-14.5000112.6R309 L327 P335R309-D331 IonicContact CZ-OD1 3.21Å; R309-D331 IonicContact CZ-OD2 2.7Å; R309-D331 IonicContact NE-OD1 3.29Å; R309-D331 PolarHBondContact NE-OD1 3.41Å; R309-D331 VanDerWaalsContact NE-OD1 3.1Å; R309-D331 IonicContact NE-OD2 2.83Å; R309-D331 IonicContact NH1-OD2 2.69Å; R309-D331 IonicContact NH2-OD1 3.75Å; R309-D331 PolarHBondContact NH2-OD1 2.76Å; R309-D331 IonicContact NH2-OD2 3.16Å; R309-D331 PolarHBondContact NH2-OD2 2.87Å; L327-D331 PolarHBondContact O-N 2.62Å; L327-D331 VanDerWaalsContact O-N 3.09Å; D331-P335 WeakPolarHBondContact O-CD 3.22Å; D331-P335 WeakPolarHBondContact O-CG 3.17Å
332H84.2Confident82.9Confident89 Ų8972.2 Ų72.241%0.41237%0.369SS..Hα-helixtrans-76.1-23.8171.8178.2-93.6000113.9A328 I330 K336A328-H332 VanDerWaalsContact O-CB 3.29Å; A328-H332 WeakPolarHBondContact O-CB 3.34Å; A328-H332 PolarHBondContact O-N 3.01Å; I330-H332 VanDerWaalsContact C-N 3.33Å; I330-H332 PolarHBondContact O-N 3.4Å; H332-K336 PolarHBondContact NE2-NZ 3.49Å; H332-K336 VanDerWaalsContact O-CD 3.31Å; H332-K336 WeakPolarHBondContact O-CD 3.48Å; H332-K336 WeakPolarHBondContact O-CG 3.32Å
333L82.4Confident83.2Confident11 Ų1175.2 Ų75.26%0.05838%0.381CS..Hα-helixtrans-97.4-33.2-177.2-72.6-179000114.7K284 F287 R329 I330 K336 C337K284-L333 HydrophobicContact CD-CD2 4.25Å; K284-L333 HydrophobicContact CG-CD2 4.23Å; F287-L333 HydrophobicContact CB-CD1 4.01Å; F287-L333 HydrophobicContact CD1-CB 3.84Å; F287-L333 HydrophobicContact CD1-CD1 3.55Å; F287-L333 HydrophobicContact CD1-CG 4.35Å; F287-L333 HydrophobicContact CD2-CD1 4.11Å; F287-L333 HydrophobicContact CE1-CB 3.51Å; F287-L333 HydrophobicContact CE1-CD1 4.03Å; F287-L333 HydrophobicContact CE1-CG 4.44Å; F287-L333 HydrophobicContact CG-CD1 3.6Å; F287-L333 HydrophobicContact CZ-CB 4.03Å; F287-L333 HydrophobicContact CZ-CD1 4.5Å; R329-L333 HydrophobicContact CG-CD1 3.88Å; R329-L333 HydrophobicContact CG-CG 4.36Å; R329-L333 WeakPolarHBondContact O-CB 3.49Å; R329-L333 WeakPolarHBondContact O-CG 3.39Å; R329-L333 PolarHBondContact O-N 2.76Å; I330-L333 PolarHBondContact O-N 3.16Å; L333-K336 CarbonylContact O-C 3.58Å; L333-K336 PolarHBondContact O-N 3.05Å; L333-K336 VanDerWaalsContact O-N 3.08Å; L333-C337 PolarHBondContact O-SG 2.84Å
334L82.9Confident83.4Confident7 Ų772.7 Ų72.74%0.03739%0.385CS..G310 helixtrans-58.9-50.2-178.5-71.7179.1000112.5F287 V291 L305 L308 I330 K336 C337 F340 I347F287-L334 HydrophobicContact CE1-CD2 4.22Å; F287-L334 HydrophobicContact CZ-CD2 4.17Å; F287-L334 HydrophobicContact CZ-CG 4.37Å; V291-L334 HydrophobicContact CG1-CD2 4.22Å; V291-L334 HydrophobicContact CG2-CD2 4.35Å; L305-L334 HydrophobicContact CD1-CD1 3.67Å; L308-L334 HydrophobicContact CD2-CD1 4.28Å; L308-L334 HydrophobicContact CD2-CD2 4.45Å; I330-L334 HydrophobicContact CG2-CD1 3.53Å; I330-L334 HydrophobicContact CG2-CG 3.98Å; I330-L334 WeakPolarHBondContact O-CG 3.26Å; I330-L334 PolarHBondContact O-N 3.04Å; L334-K336 PolarHBondContact O-N 3.37Å; L334-K336 VanDerWaalsContact O-N 3.09Å; L334-C337 PolarHBondContact O-N 2.8Å; L334-F340 HydrophobicContact CD2-CD2 4.2Å; L334-I347 HydrophobicContact CD1-CD1 3.9Å; L334-I347 HydrophobicContact CD2-CD1 3.69Å; L334-I347 HydrophobicContact CG-CD1 4.33Å
335P82.9Confident83.7Confident106 Ų10671.2 Ų71.269%0.68838%0.376SS*.G310 helixtrans-63.3-19.2176.3-20.933.8000113.6D331 C337D331-P335 WeakPolarHBondContact O-CD 3.22Å; D331-P335 WeakPolarHBondContact O-CG 3.17Å; P335-C337 VanDerWaalsContact C-N 3.33Å
336K82.9Confident84Confident119 Ų11971 Ų7152%0.51737%0.369SS..G310 helixtrans-96.420.7-177.3-56.2-171.4-175.8-172.70112.7K284 H332 L333 L334K284-K336 PolarHBondContact NZ-O 3.34Å; H332-K336 PolarHBondContact NE2-NZ 3.49Å; H332-K336 VanDerWaalsContact O-CD 3.31Å; H332-K336 WeakPolarHBondContact O-CD 3.48Å; H332-K336 WeakPolarHBondContact O-CG 3.32Å; L333-K336 CarbonylContact O-C 3.58Å; L333-K336 PolarHBondContact O-N 3.05Å; L333-K336 VanDerWaalsContact O-N 3.08Å; L334-K336 PolarHBondContact O-N 3.37Å; L334-K336 VanDerWaalsContact O-N 3.09Å
337C81.5Confident84.3Confident4 Ų470.5 Ų70.53%0.02737%0.366CS..  trans-136.194.2-177.6-68.80000112.4K288 L333 L334 P335 Q339 F340K288-C337 WeakPolarHBondContact CE-SG 3.41Å; L333-C337 PolarHBondContact O-SG 2.84Å; L334-C337 PolarHBondContact O-N 2.8Å; P335-C337 VanDerWaalsContact C-N 3.33Å; C337-Q339 PolarHBondContact O-N 3.26Å; C337-F340 HydrophobicContact CB-CD2 3.77Å; C337-F340 HydrophobicContact CB-CE2 4.07Å; C337-F340 PolarHBondContact O-N 3.02Å; C337-F340 VanDerWaalsContact O-N 3.17Å
338K83.3Confident84.4Confident209 Ų20969.6 Ų69.691%0.90936%0.363SS*.THydrogen-bonded Turntrans-53.40.4175.4-60.8-169.2176.3-169.50117.1
339Q83.1Confident84.5Confident97 Ų9769.1 Ų69.145%0.45335%0.351SS..THydrogen-bonded Turntrans-98.4-1.9-179.2-67.5175-72.100112.7C337 A350C337-Q339 PolarHBondContact O-N 3.26Å; Q339-A350 PolarHBondContact O-N 2.76Å
340F87.2Confident84.6Confident18 Ų1864.9 Ų64.98%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-131.7133.6179.1-47.4-59.4000109.7V291 K292 L295 L334 C337 I347 S348V291-F340 HydrophobicContact CB-CE1 4.23Å; V291-F340 HydrophobicContact CB-CE2 3.97Å; V291-F340 HydrophobicContact CB-CZ 3.66Å; V291-F340 HydrophobicContact CG1-CD1 3.95Å; V291-F340 HydrophobicContact CG1-CD2 4.02Å; V291-F340 HydrophobicContact CG1-CE1 3.58Å; V291-F340 HydrophobicContact CG1-CE2 3.64Å; V291-F340 HydrophobicContact CG1-CG 4.17Å; V291-F340 HydrophobicContact CG1-CZ 3.42Å; V291-F340 VanDerWaalsContact CG1-CZ 3.42Å; K292-F340 HydrophobicContact CB-CE1 4.49Å; L295-F340 HydrophobicContact CD1-CD1 3.71Å; L295-F340 HydrophobicContact CD1-CE1 3.97Å; L334-F340 HydrophobicContact CD2-CD2 4.2Å; C337-F340 HydrophobicContact CB-CD2 3.77Å; C337-F340 HydrophobicContact CB-CE2 4.07Å; C337-F340 PolarHBondContact O-N 3.02Å; C337-F340 VanDerWaalsContact O-N 3.17Å; F340-I347 HydrophobicContact CB-CD1 4Å; F340-I347 HydrophobicContact CB-CG1 4.26Å; F340-S348 CarbonylContact C-O 3.58Å; F340-S348 VanDerWaalsContact CA-O 3.24Å; F340-S348 WeakPolarHBondContact CA-O 3.36Å
341V86.7Confident84Confident60 Ų6074.2 Ų74.236%0.36441%0.408SS..EExtended strand (participates in β ladder)trans-102.4138.3174.6-174.10000108.3I347 S348 A350V341-I347 VanDerWaalsContact O-CA 3.27Å; V341-I347 WeakPolarHBondContact O-CA 3.49Å; V341-I347 WeakPolarHBondContact O-CG1 3.18Å; V341-S348 PolarHBondContact N-O 2.98Å; V341-S348 PolarHBondContact O-N 3.41Å; V341-A350 HydrophobicContact CG2-CB 3.84Å
342V85.7Confident84Confident65 Ų6574.7 Ų74.739%0.39441%0.411SS..  trans-119.783.3-176.2-172.50000110G344 Y346 I347V342-G344 VanDerWaalsContact C-N 3.26Å; V342-G344 PolarHBondContact O-N 2.81Å; V342-Y346 CarbonylContact C-O 3.52Å; V342-I347 HydrophobicContact CG2-CD1 4.04Å; V342-I347 HydrophobicContact CG2-CG1 4.3Å
343D82.4Confident84Confident112 Ų11273.9 Ų73.960%0.59941%0.411SS*.  trans-79.176.3175.2-66.8-47.8000110.8K345 Y346D343-K345 PolarHBondContact O-N 3.16Å; D343-Y346 PolarHBondContact N-O 3.42Å; D343-Y346 VanDerWaalsContact N-O 3.16Å; D343-Y346 PolarHBondContact O-N 3.06Å
344G85.2Confident84.1Confident60 Ų6077.4 Ų77.462%0.61943%0.43SS*.THydrogen-bonded Turntrans60.5-94174.200000113.8V342V342-G344 VanDerWaalsContact C-N 3.26Å; V342-G344 PolarHBondContact O-N 2.81Å
345K87.5Confident84.2Confident125 Ų12581.6 Ų81.654%0.54345%0.454SS..THydrogen-bonded Turntrans-85.7-8.9-179.6-65.9176.7-177.8173.90112.8E191 K304 L305 D343E191-K345 IonicContact OE1-NZ 2.76Å; E191-K345 PolarHBondContact OE1-NZ 2.66Å; K304-K345 WeakPolarHBondContact CA-O 3.48Å; L305-K345 PolarHBondContact N-O 3.24Å; D343-K345 PolarHBondContact O-N 3.16Å
346Y87.8Confident84.3Confident98 Ų9880.1 Ų80.138%0.38444%0.439SS..EExtended strand (participates in β ladder)trans-118.8162.1-177.1-62.6-87.6000112.6M303 K304 V342 D343M303-Y346 CarbonylContact O-C 3.6Å; M303-Y346 WeakPolarHBondContact O-CA 3.29Å; K304-Y346 HydrophobicContact CD-CE1 4.17Å; K304-Y346 WeakPolarHBondContact CE-OH 3.28Å; K304-Y346 HydrophobicContact CG-CD1 3.76Å; K304-Y346 HydrophobicContact CG-CE1 3.39Å; V342-Y346 CarbonylContact C-O 3.52Å; D343-Y346 PolarHBondContact N-O 3.42Å; D343-Y346 VanDerWaalsContact N-O 3.16Å; D343-Y346 PolarHBondContact O-N 3.06Å
347I87.9Confident84.3Confident1 Ų177.5 Ų77.51%0.00543%0.434CS..EExtended strand (participates in β ladder)trans-141.7137.5172.9177.1163.5000109.6R302 M303 L305 L308 L334 F340 V341 V342R302-I347 CarbonylContact C-O 3.57Å; R302-I347 VanDerWaalsContact CA-O 3.32Å; R302-I347 WeakPolarHBondContact CA-O 3.5Å; M303-I347 HydrophobicContact CG-CG2 3.98Å; M303-I347 PolarHBondContact N-O 3.4Å; M303-I347 PolarHBondContact O-N 3.15Å; L305-I347 HydrophobicContact CD1-CB 4.45Å; L305-I347 HydrophobicContact CD1-CG2 4.2Å; L308-I347 HydrophobicContact CB-CG2 4.22Å; L308-I347 HydrophobicContact CD2-CD1 3.72Å; L308-I347 HydrophobicContact CD2-CG1 4.45Å; L308-I347 HydrophobicContact CD2-CG2 3.71Å; L334-I347 HydrophobicContact CD1-CD1 3.9Å; L334-I347 HydrophobicContact CD2-CD1 3.69Å; L334-I347 HydrophobicContact CG-CD1 4.33Å; F340-I347 HydrophobicContact CB-CD1 4Å; F340-I347 HydrophobicContact CB-CG1 4.26Å; V341-I347 VanDerWaalsContact O-CA 3.27Å; V341-I347 WeakPolarHBondContact O-CA 3.49Å; V341-I347 WeakPolarHBondContact O-CG1 3.18Å; V342-I347 HydrophobicContact CG2-CD1 4.04Å; V342-I347 HydrophobicContact CG2-CG1 4.3Å
348S85.9Confident84.5Confident28 Ų2882.7 Ų82.720%0.19646%0.463CS..EExtended strand (participates in β ladder)trans-132.9165.3-179.853.50000111.1G301 F340 V341G301-S348 WeakPolarHBondContact O-CA 3.42Å; F340-S348 CarbonylContact C-O 3.58Å; F340-S348 VanDerWaalsContact CA-O 3.24Å; F340-S348 WeakPolarHBondContact CA-O 3.36Å; V341-S348 PolarHBondContact N-O 2.98Å; V341-S348 PolarHBondContact O-N 3.41Å
349I86.3Confident84.6Confident55 Ų5573 Ų7328%0.28243%0.428SS..EExtended strand (participates in β ladder)trans-73.5135.4166.3-58.5176.8000108L295 T296 G301 S351L295-I349 HydrophobicContact CB-CD1 3.8Å; L295-I349 HydrophobicContact CB-CG1 3.7Å; L295-I349 HydrophobicContact CD1-CG1 3.84Å; L295-I349 HydrophobicContact CG-CG1 4.37Å; T296-I349 HydrophobicContact CG2-CD1 3.72Å; G301-I349 PolarHBondContact O-N 3.43Å; I349-S351 PolarHBondContact O-N 2.59Å
350A81.2Confident84.8Confident33 Ų3371 Ų7127%0.27343%0.426SS..  trans-72.6123.8169.100000109.5Q339 V341Q339-A350 PolarHBondContact O-N 2.76Å; V341-A350 HydrophobicContact CG2-CB 3.84Å
351S73.4Confident84.6Confident197 Ų19775.8 Ų75.8100%1.37846%0.458SS*.  trans-630172.4-55.30000112.6I349I349-S351 PolarHBondContact O-N 2.59Å

Retrieved 351 of 351 residues in 370.1 ms (Link to these results)

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