A0A087YAY6_POEFO Loading...

Sorting nexin 8a

AlphaFold DB , UniProt , Accession A0A087YAY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 518 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
1M34.1Very low41.2Very low243 Ų243134.6 Ų134.6100%1.19775%0.753SS**  0107.20-81.6173.7159.400107.8
2T25.1Very low43Very low142 Ų142130.8 Ų130.887%0.87173%0.725SS**  trans-70.3123.2175.724.50000109.3R4T2-R4 PolarHBondContact O-N 3.29Å
3P29.7Very low44.5Very low128 Ų128126.4 Ų126.483%0.83173%0.727SS**  trans-76.5120.5176.624.7-20.2000109A5P3-A5 PolarHBondContact O-N 3.39Å
4R29.5Very low46.3Very low242 Ų242122.9 Ų122.991%0.91371%0.714SS**  trans-62.2114.4171.7-163.9176-179.5177-0.8107.7T2 M6T2-R4 PolarHBondContact O-N 3.29Å; R4-M6 PolarHBondContact O-N 3.08Å; R4-M6 VanDerWaalsContact O-N 3.17Å
5A26.5Very low48.6Very low99 Ų99115.2 Ų115.282%0.81867%0.669SS**PPolyproline II helixtrans-58116.7179.200000110.7P3P3-A5 PolarHBondContact O-N 3.39Å
6M31.2Very low50.8Low182 Ų182110.5 Ų110.590%0.89764%0.644SS**PPolyproline II helixtrans-66128.2170.5-73-93-86.600108.7R4 G8R4-M6 PolarHBondContact O-N 3.08Å; R4-M6 VanDerWaalsContact O-N 3.17Å; M6-G8 PolarHBondContact O-N 2.88Å
7A39.1Very low52.7Low86 Ų86107 Ų10771%0.71163%0.631SS**PPolyproline II helixtrans-62.4124.9172.300000109E9A7-E9 PolarHBondContact O-N 3.31Å
8G48.1Very low54.6Low51 Ų51102.1 Ų102.153%0.52660%0.6SS.*  trans-63.6116-175.900000112.1M6M6-G8 PolarHBondContact O-N 2.88Å
9E57.4Low56.4Low183 Ų18396.7 Ų96.786%0.85557%0.568SS**PPolyproline II helixtrans-72.9128166.9-71.2-178.2158.800109.1A7 N11A7-E9 PolarHBondContact O-N 3.31Å; E9-N11 PolarHBondContact O-N 3.18Å
10I66Low57.9Low14 Ų1497.8 Ų97.87%0.07256%0.562CS.*PPolyproline II helixtrans-64.2126.4170.8-60.7-174.3000107.3V15 L70 K74 F93 L97I10-V15 HydrophobicContact CG2-CG1 3.51Å; I10-L70 HydrophobicContact CB-CD1 4.04Å; I10-L70 HydrophobicContact CG2-CD1 4.1Å; I10-L70 WeakPolarHBondContact O-CD1 3.34Å; I10-K74 HydrophobicContact CD1-CB 4.26Å; I10-K74 HydrophobicContact CD1-CG 3.56Å; I10-K74 HydrophobicContact CG1-CG 4.31Å; I10-F93 HydrophobicContact CD1-CE1 4.16Å; I10-F93 HydrophobicContact CD1-CE2 4.3Å; I10-F93 HydrophobicContact CD1-CZ 4.01Å; I10-F93 HydrophobicContact CG1-CD2 4.48Å; I10-F93 HydrophobicContact CG1-CE2 4.4Å; I10-L97 HydrophobicContact CD1-CD2 4.34Å; I10-L97 HydrophobicContact CG2-CD1 4.45Å
11N66.6Low59.2Low111 Ų11197.3 Ų97.359%0.59456%0.555SS**PPolyproline II helixtrans-101.6139.4173-171.8-16.8000109.2E9 G13 S14E9-N11 PolarHBondContact O-N 3.18Å; N11-G13 PolarHBondContact O-N 3.36Å; N11-G13 VanDerWaalsContact O-N 3.15Å; N11-G13 PolarHBondContact OD1-N 3.47Å; N11-S14 PolarHBondContact O-N 2.67Å; N11-S14 PolarHBondContact O-OG 3.05Å
12E63.2Low61.7Low89 Ų8985.7 Ų85.742%0.41650%0.498SS..G310 helixtrans-58.3-27.5-179.8-65.5-164.7-17600113.1S14 V15 K69 Y73E12-S14 VanDerWaalsContact C-N 3.34Å; E12-V15 WeakPolarHBondContact O-CG2 3.39Å; E12-K69 IonicContact OE2-NZ 3.9Å; E12-K69 PolarHBondContact OE2-NZ 3.17Å; E12-Y73 HydrophobicContact CG-CE2 4.49Å
13G62.3Low64.7Low73 Ų7379.6 Ų79.675%0.75346%0.459SS*.G310 helixtrans-75.9-15.7176.700000114.9N11N11-G13 PolarHBondContact O-N 3.36Å; N11-G13 VanDerWaalsContact O-N 3.15Å; N11-G13 PolarHBondContact OD1-N 3.47Å
14S69.6Low67.3Low77 Ų7779.5 Ų79.554%0.53845%0.448SS..G310 helixtrans-107.87.1-173.563.20000114.1N11 E12N11-S14 PolarHBondContact O-N 2.67Å; N11-S14 PolarHBondContact O-OG 3.05Å; E12-S14 VanDerWaalsContact C-N 3.34Å
15V80Confident69.8Low8 Ų868.5 Ų68.55%0.04841%0.408CS..SBendtrans-89.2146.6-179.8-58.80000112.4I10 E12 Y19 R20 Y73 L97I10-V15 HydrophobicContact CG2-CG1 3.51Å; E12-V15 WeakPolarHBondContact O-CG2 3.39Å; V15-Y19 HydrophobicContact CB-CD2 4.36Å; V15-R20 HydrophobicContact CG2-CG 4.16Å; V15-Y73 HydrophobicContact CB-CD2 4.48Å; V15-Y73 HydrophobicContact CG1-CD2 3.87Å; V15-Y73 HydrophobicContact CG1-CE2 4.49Å; V15-Y73 HydrophobicContact CG1-CG 4.24Å; V15-Y73 HydrophobicContact CG2-CD2 4.1Å; V15-Y73 HydrophobicContact CG2-CE2 3.91Å; V15-L97 HydrophobicContact CB-CD1 4.21Å; V15-L97 HydrophobicContact CG1-CD1 3.79Å
16P83.8Confident72.5Confident40 Ų4064 Ų6426%0.2637%0.37SS..  trans-54.7145175.3-25.534.3000111.9Y18 Y19 L97P16-Y18 PolarHBondContact O-N 3.02Å; P16-Y18 VanDerWaalsContact O-N 3.13Å; P16-Y19 HydrophobicContact CB-CD1 4.05Å; P16-Y19 HydrophobicContact CB-CE1 4.38Å; P16-Y19 HydrophobicContact CG-CD1 4.1Å; P16-Y19 HydrophobicContact CG-CE1 4.03Å; P16-Y19 WeakPolarHBondContact O-CB 3.25Å; P16-Y19 PolarHBondContact O-N 3.42Å; P16-L97 HydrophobicContact CG-CB 3.88Å
17A84.2Confident74.8Confident51 Ų5156.1 Ų56.142%0.42133%0.333SS..Hα-helixtrans-51.9-38.6176.900000112.2Y19 R20 E21A17-Y19 PolarHBondContact O-N 3.46Å; A17-Y19 VanDerWaalsContact O-N 3.16Å; A17-R20 WeakPolarHBondContact O-CB 3.43Å; A17-R20 PolarHBondContact O-N 2.97Å; A17-E21 WeakPolarHBondContact O-CG 3.45Å; A17-E21 PolarHBondContact O-N 3.37Å
18Y86.5Confident76.2Confident19 Ų1954.8 Ų54.88%0.07532%0.318CS..Hα-helixtrans-55.2-33.5176-171.7-108000114P16 E21 V22 K99 P100 L102 G103 P105P16-Y18 PolarHBondContact O-N 3.02Å; P16-Y18 VanDerWaalsContact O-N 3.13Å; Y18-E21 PolarHBondContact O-N 2.9Å; Y18-V22 HydrophobicContact CD1-CG2 4.13Å; Y18-V22 HydrophobicContact CE1-CG2 3.84Å; Y18-V22 HydrophobicContact CE2-CG2 4.41Å; Y18-V22 WeakPolarHBondContact O-CB 3.47Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.31Å; Y18-K99 HydrophobicContact CD1-CD 4.35Å; Y18-K99 HydrophobicContact CD1-CG 3.8Å; Y18-K99 HydrophobicContact CE1-CG 4.14Å; Y18-K99 HydrophobicContact CG-CD 4.33Å; Y18-K99 HydrophobicContact CG-CG 4.24Å; Y18-P100 HydrophobicContact CD1-CG 4.44Å; Y18-P100 HydrophobicContact CE1-CG 4.06Å; Y18-L102 WeakPolarHBondContact OH-CB 3.2Å; Y18-G103 PolarHBondContact OH-O 3.18Å; Y18-P105 HydrophobicContact CD2-CG 3.99Å; Y18-P105 HydrophobicContact CE2-CG 3.72Å
19Y87.9Confident77Confident0 Ų063.1 Ų63.10%033%0.334CS..Hα-helixtrans-70.8-37.8179.4-76.835.1000110.9V15 P16 A17 V22 H23 Y73 L76 A77 P98 P100V15-Y19 HydrophobicContact CB-CD2 4.36Å; P16-Y19 HydrophobicContact CB-CD1 4.05Å; P16-Y19 HydrophobicContact CB-CE1 4.38Å; P16-Y19 HydrophobicContact CG-CD1 4.1Å; P16-Y19 HydrophobicContact CG-CE1 4.03Å; P16-Y19 WeakPolarHBondContact O-CB 3.25Å; P16-Y19 PolarHBondContact O-N 3.42Å; A17-Y19 PolarHBondContact O-N 3.46Å; A17-Y19 VanDerWaalsContact O-N 3.16Å; Y19-V22 PolarHBondContact O-N 3.48Å; Y19-H23 WeakPolarHBondContact O-CB 3.36Å; Y19-H23 PolarHBondContact O-N 3.25Å; Y19-Y73 HydrophobicContact CD2-CD1 4.14Å; Y19-Y73 HydrophobicContact CD2-CG 4.31Å; Y19-Y73 WeakPolarHBondContact CE2-O 3.35Å; Y19-Y73 WeakPolarHBondContact O-CE1 3.38Å; Y19-L76 HydrophobicContact CD1-CB 4.49Å; Y19-L76 HydrophobicContact CD1-CD1 4.36Å; Y19-L76 HydrophobicContact CD2-CB 3.89Å; Y19-L76 HydrophobicContact CD2-CD1 4.01Å; Y19-L76 HydrophobicContact CE1-CB 4.29Å; Y19-L76 HydrophobicContact CE2-CB 3.63Å; Y19-L76 HydrophobicContact CG-CB 4.32Å; Y19-L76 HydrophobicContact CG-CD1 3.88Å; Y19-A77 HydrophobicContact CE2-CB 4.19Å; Y19-A77 WeakPolarHBondContact OH-CA 3.4Å; Y19-A77 PolarHBondContact OH-N 3.31Å; Y19-P98 PolarHBondContact OH-O 2.97Å; Y19-P100 HydrophobicContact CE1-CG 4.37Å
20R86.4Confident76.9Confident118 Ų11860.8 Ų60.845%0.44533%0.332SS..Hα-helixtrans-65.8-44.6174.3-69.1-178.7-81.8175.4-5.5110.7V15 A17 V22 H23 E24V15-R20 HydrophobicContact CG2-CG 4.16Å; A17-R20 WeakPolarHBondContact O-CB 3.43Å; A17-R20 PolarHBondContact O-N 2.97Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.08Å; R20-H23 PolarHBondContact O-N 3.46Å; R20-E24 WeakPolarHBondContact O-CB 3.27Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.98Å
21E86.3Confident77.3Confident87 Ų8762.2 Ų62.241%0.40734%0.34SS..Hα-helixtrans-61.1-40.5176-67.2166.4-16400112.3A17 Y18 A25 P105A17-E21 WeakPolarHBondContact O-CG 3.45Å; A17-E21 PolarHBondContact O-N 3.37Å; Y18-E21 PolarHBondContact O-N 2.9Å; E21-A25 VanDerWaalsContact O-CB 3.29Å; E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 3.46Å; E21-P105 HydrophobicContact CB-CB 3.95Å; E21-P105 HydrophobicContact CB-CG 3.78Å
22V86.2Confident77.7Confident0 Ų063.7 Ų63.70%034%0.343CS..Hα-helixtrans-66-42.6175.1171.90000111.1Y18 Y19 R20 A25 I26 L76 L108Y18-V22 HydrophobicContact CD1-CG2 4.13Å; Y18-V22 HydrophobicContact CE1-CG2 3.84Å; Y18-V22 HydrophobicContact CE2-CG2 4.41Å; Y18-V22 WeakPolarHBondContact O-CB 3.47Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.31Å; Y19-V22 PolarHBondContact O-N 3.48Å; R20-V22 VanDerWaalsContact C-N 3.34Å; R20-V22 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.17Å; V22-I26 HydrophobicContact CG1-CD1 4.26Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.22Å; V22-I26 PolarHBondContact O-N 2.73Å; V22-L76 HydrophobicContact CB-CD1 4.15Å; V22-L76 HydrophobicContact CG1-CD1 4Å; V22-L76 HydrophobicContact CG1-CD2 4.04Å; V22-L108 HydrophobicContact CB-CD1 4.45Å; V22-L108 HydrophobicContact CG1-CD1 4.08Å; V22-L108 HydrophobicContact CG2-CD1 3.83Å
23H88Confident78.6Confident13 Ų1365 Ų656%0.0634%0.344CS..Hα-helixtrans-60.9-48.7175.1173.8-111.6000111.5Y19 R20 A25 I26 C27 E32 L72 Y73Y19-H23 WeakPolarHBondContact O-CB 3.36Å; Y19-H23 PolarHBondContact O-N 3.25Å; R20-H23 PolarHBondContact O-N 3.46Å; H23-A25 PolarHBondContact O-N 2.53Å; H23-I26 PolarHBondContact O-N 3.01Å; H23-C27 VanDerWaalsContact O-CB 3.23Å; H23-C27 WeakPolarHBondContact O-CB 3.21Å; H23-C27 PolarHBondContact O-N 3.36Å; H23-C27 PolarHBondContact O-SG 3.48Å; H23-E32 PolarHBondContact NE2-O 3.07Å; H23-L72 HydrophobicContact CB-CD2 3.8Å; H23-Y73 HydrophobicContact CB-CE1 3.88Å
24E84.5Confident79.6Confident127 Ų12761.5 Ų61.559%0.59331%0.308SS*.Hα-helixtrans-61.5-30.8175.8-75.3177.1-170.200113R20 R112R20-E24 WeakPolarHBondContact O-CB 3.27Å; R20-E24 WeakPolarHBondContact O-CG 3.49Å; R20-E24 PolarHBondContact O-N 2.98Å; E24-R112 PolarHBondContact O-NH2 3.37Å
25A82.2Confident80.1Confident10 Ų1061.3 Ų61.38%0.08330%0.299CS..Hα-helixtrans-71.1-35.4177.100000112.5E21 V22 H23 P105 L108E21-A25 VanDerWaalsContact O-CB 3.29Å; E21-A25 WeakPolarHBondContact O-CB 3.49Å; E21-A25 PolarHBondContact O-N 3.46Å; V22-A25 PolarHBondContact O-N 3.17Å; H23-A25 PolarHBondContact O-N 2.53Å; A25-P105 HydrophobicContact CB-CB 4.46Å; A25-P105 VanDerWaalsContact CB-O 3.25Å; A25-P105 WeakPolarHBondContact CB-O 3.27Å; A25-L108 HydrophobicContact CB-CB 4.12Å
26I83.6Confident80.2Confident4 Ų462.3 Ų62.32%0.02131%0.308CS..Hα-helixtrans-110.5-14.6-16974.3-175.3000114.9V22 H23 V34 V38 L42 L72 L108V22-I26 HydrophobicContact CG1-CD1 4.26Å; V22-I26 VanDerWaalsContact O-CG1 3.32Å; V22-I26 WeakPolarHBondContact O-CG1 3.22Å; V22-I26 PolarHBondContact O-N 2.73Å; H23-I26 PolarHBondContact O-N 3.01Å; I26-V34 HydrophobicContact CD1-CG1 4.02Å; I26-V34 HydrophobicContact CD1-CG2 4.32Å; I26-V34 HydrophobicContact CG1-CG1 4.1Å; I26-V34 HydrophobicContact CG1-CG2 3.97Å; I26-V38 HydrophobicContact CB-CG1 3.94Å; I26-L42 HydrophobicContact CD1-CD2 4.04Å; I26-L72 HydrophobicContact CD1-CD1 3.93Å; I26-L72 HydrophobicContact CD1-CD2 3.9Å; I26-L72 HydrophobicContact CG1-CD2 4.43Å; I26-L108 HydrophobicContact CG2-CB 4.16Å
27C79.9Confident80Confident17 Ų1765.4 Ų65.412%0.11532%0.322CS..SBendtrans-71.1154.7177.569.30000112.3H23 V34 R112H23-C27 VanDerWaalsContact O-CB 3.23Å; H23-C27 WeakPolarHBondContact O-CB 3.21Å; H23-C27 PolarHBondContact O-N 3.36Å; H23-C27 PolarHBondContact O-SG 3.48Å; C27-V34 HydrophobicContact CB-CG2 4.36Å; C27-R112 VanDerWaalsContact O-CZ 3.25Å; C27-R112 PolarHBondContact O-NE 3.29Å; C27-R112 PolarHBondContact O-NH2 3.01Å
28C67.3Low80Confident59 Ų5963.1 Ų63.140%0.39930%0.303SS..  trans-70.5153.4175.4-169.20000110.7T30 D31C28-T30 PolarHBondContact O-N 2.82Å; C28-T30 PolarHBondContact SG-OG1 3.16Å; C28-D31 HydrophobicContact CB-CB 4.26Å; C28-D31 PolarHBondContact N-O 3.37Å; C28-D31 VanDerWaalsContact O-O 3.07Å
29R64.8Low79.9Confident226 Ų22662.7 Ų62.785%0.85330%0.302SS*.SBendtrans-67.2-19.6174.8-73.7-173.3175.91780.2113.1
30T56.6Low79.7Confident133 Ų13368.7 Ų68.782%0.81633%0.328SS*.SBendtrans-114.2-8.2-174.254.40000113.8C28C28-T30 PolarHBondContact O-N 2.82Å; C28-T30 PolarHBondContact SG-OG1 3.16Å
31D72.6Confident79.5Confident45 Ų4567.1 Ų67.124%0.24132%0.322CS..  trans-143.4128.2-180-168-21.7000109.6C28 R33C28-D31 HydrophobicContact CB-CB 4.26Å; C28-D31 PolarHBondContact N-O 3.37Å; C28-D31 VanDerWaalsContact O-O 3.07Å; D31-R33 PolarHBondContact O-N 3.37Å; D31-R33 WeakPolarHBondContact OD1-CB 3.38Å; D31-R33 WeakPolarHBondContact OD1-CG 3.47Å; D31-R33 IonicContact OD1-CZ 3.85Å; D31-R33 PolarHBondContact OD1-N 3.35Å; D31-R33 IonicContact OD1-NE 2.76Å; D31-R33 PolarHBondContact OD1-NE 3.04Å; D31-R33 VanDerWaalsContact OD1-NE 3.09Å; D31-R33 IonicContact OD1-NH2 3.07Å; D31-R33 IonicContact OD2-CZ 3.93Å; D31-R33 IonicContact OD2-NE 2.87Å; D31-R33 PolarHBondContact OD2-NE 3.47Å; D31-R33 VanDerWaalsContact OD2-NE 3.16Å; D31-R33 IonicContact OD2-NH2 3.23Å; D31-R33 PolarHBondContact OD2-NH2 3.13Å
32E76.9Confident79.4Confident142 Ų14263 Ų6366%0.66430%0.302SS*.SBendtrans-73.2-11.3-179.7-63.2-169163.500113.3H23H23-E32 PolarHBondContact NE2-O 3.07Å
33R82.2Confident79.3Confident115 Ų11563.8 Ų63.843%0.43431%0.307SS..SBendtrans-81.2155.8176.8-61.3174.3-66.9174.63.1111.5D31 F66 L67D31-R33 PolarHBondContact O-N 3.37Å; D31-R33 WeakPolarHBondContact OD1-CB 3.38Å; D31-R33 WeakPolarHBondContact OD1-CG 3.47Å; D31-R33 IonicContact OD1-CZ 3.85Å; D31-R33 PolarHBondContact OD1-N 3.35Å; D31-R33 IonicContact OD1-NE 2.76Å; D31-R33 PolarHBondContact OD1-NE 3.04Å; D31-R33 VanDerWaalsContact OD1-NE 3.09Å; D31-R33 IonicContact OD1-NH2 3.07Å; D31-R33 IonicContact OD2-CZ 3.93Å; D31-R33 IonicContact OD2-NE 2.87Å; D31-R33 PolarHBondContact OD2-NE 3.47Å; D31-R33 VanDerWaalsContact OD2-NE 3.16Å; D31-R33 IonicContact OD2-NH2 3.23Å; D31-R33 PolarHBondContact OD2-NH2 3.13Å; R33-F66 HydrophobicContact CB-CB 4.19Å; R33-F66 HydrophobicContact CB-CD1 4.24Å; R33-L67 WeakPolarHBondContact CA-O 3.5Å
34V82.5Confident79Confident1 Ų169.5 Ų69.51%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-110.2125.7178.8178.80000109.7I26 C27 V38 F39 F66 L67 L72I26-V34 HydrophobicContact CD1-CG1 4.02Å; I26-V34 HydrophobicContact CD1-CG2 4.32Å; I26-V34 HydrophobicContact CG1-CG1 4.1Å; I26-V34 HydrophobicContact CG1-CG2 3.97Å; C27-V34 HydrophobicContact CB-CG2 4.36Å; V34-V38 HydrophobicContact CG1-CB 4.12Å; V34-V38 HydrophobicContact CG1-CG1 4.03Å; V34-F39 HydrophobicContact CG1-CB 4.5Å; V34-F66 CarbonylContact O-C 3.55Å; V34-F66 WeakPolarHBondContact O-CA 3.18Å; V34-L67 HydrophobicContact CB-CB 4.46Å; V34-L67 PolarHBondContact N-O 3.36Å; V34-L67 PolarHBondContact O-N 2.85Å; V34-L72 HydrophobicContact CG2-CD2 4Å
35Q79.8Confident78.9Confident73 Ų7369.6 Ų69.634%0.34133%0.328SS..EExtended strand (participates in β ladder)trans-64.2146.2176.8-78179.6-7.600112.3D37 V38 F39 F66Q35-D37 PolarHBondContact O-N 3.09Å; Q35-V38 HydrophobicContact CB-CG2 4.24Å; Q35-V38 WeakPolarHBondContact O-CB 3.37Å; Q35-V38 PolarHBondContact O-N 2.89Å; Q35-V38 VanDerWaalsContact O-N 3.14Å; Q35-F39 PolarHBondContact O-N 3.45Å; Q35-F39 VanDerWaalsContact O-N 3.08Å; Q35-F66 HydrophobicContact CB-CD1 4.42Å; Q35-F66 HydrophobicContact CB-CE1 4.48Å; Q35-F66 HydrophobicContact CG-CD1 3.57Å; Q35-F66 HydrophobicContact CG-CE1 3.23Å; Q35-F66 HydrophobicContact CG-CZ 3.96Å
36A82.6Confident78.8Confident28 Ų2869.6 Ų69.623%0.23133%0.327CS..Hα-helixtrans-57.7-35179.200000112.8F39 K40 G65 L67A36-F39 PolarHBondContact O-N 3.32Å; A36-K40 WeakPolarHBondContact O-CB 3.29Å; A36-K40 PolarHBondContact O-N 3.35Å; A36-G65 WeakPolarHBondContact CB-O 3.47Å; A36-G65 PolarHBondContact N-O 2.62Å; A36-L67 HydrophobicContact CB-CD1 4.23Å
37D79.4Confident78.5Confident106 Ų10673 Ų7357%0.56736%0.364SS*.Hα-helixtrans-71.2-34.5178.3-69.4-29.7000113.5Q35 F39 K40 R41Q35-D37 PolarHBondContact O-N 3.09Å; D37-F39 VanDerWaalsContact C-N 3.33Å; D37-K40 PolarHBondContact O-N 3.42Å; D37-R41 WeakPolarHBondContact O-CG 3.28Å; D37-R41 PolarHBondContact O-N 3.42Å; D37-R41 VanDerWaalsContact O-N 3.14Å; D37-R41 PolarHBondContact O-NE 3Å
38V83.1Confident78.8Confident3 Ų373.7 Ų73.72%0.01837%0.366CS..Hα-helixtrans-65-44.7171.61750000109.4I26 V34 Q35 K40 R41 L42 L111 M113I26-V38 HydrophobicContact CB-CG1 3.94Å; V34-V38 HydrophobicContact CG1-CB 4.12Å; V34-V38 HydrophobicContact CG1-CG1 4.03Å; Q35-V38 HydrophobicContact CB-CG2 4.24Å; Q35-V38 WeakPolarHBondContact O-CB 3.37Å; Q35-V38 PolarHBondContact O-N 2.89Å; Q35-V38 VanDerWaalsContact O-N 3.14Å; V38-K40 PolarHBondContact O-N 2.95Å; V38-R41 PolarHBondContact O-N 3.18Å; V38-L42 PolarHBondContact O-N 3.13Å; V38-L111 WeakPolarHBondContact CG1-O 3.46Å; V38-M113 HydrophobicContact CG2-CB 4.44Å; V38-M113 HydrophobicContact CG2-CG 3.57Å
39F85.7Confident79.6Confident10 Ų1074.4 Ų74.44%0.04437%0.372CS..Hα-helixtrans-64.4-38.3177.7-179.8-109.6000112.5V34 Q35 A36 D37 L42 L43 I60 L67 L72 A75 I79V34-F39 HydrophobicContact CG1-CB 4.5Å; Q35-F39 PolarHBondContact O-N 3.45Å; Q35-F39 VanDerWaalsContact O-N 3.08Å; A36-F39 PolarHBondContact O-N 3.32Å; D37-F39 VanDerWaalsContact C-N 3.33Å; F39-L42 HydrophobicContact CD2-CD2 4.23Å; F39-L42 HydrophobicContact CE2-CD2 4.45Å; F39-L42 VanDerWaalsContact O-CB 3.32Å; F39-L42 WeakPolarHBondContact O-CB 3.42Å; F39-L42 PolarHBondContact O-N 3.48Å; F39-L43 HydrophobicContact CD1-CD1 4.17Å; F39-L43 HydrophobicContact CD1-CG 4.47Å; F39-L43 HydrophobicContact CE1-CD1 3.57Å; F39-L43 HydrophobicContact CE1-CD2 4.33Å; F39-L43 HydrophobicContact CE1-CG 3.93Å; F39-L43 HydrophobicContact CE2-CD2 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.35Å; F39-L43 HydrophobicContact CZ-CD1 3.92Å; F39-L43 HydrophobicContact CZ-CD2 3.81Å; F39-L43 HydrophobicContact CZ-CG 3.83Å; F39-L43 PolarHBondContact O-N 2.96Å; F39-I60 HydrophobicContact CE1-CD1 3.57Å; F39-I60 HydrophobicContact CE1-CG2 4.28Å; F39-I60 HydrophobicContact CE2-CD1 4.5Å; F39-I60 HydrophobicContact CZ-CD1 3.39Å; F39-L67 HydrophobicContact CB-CD1 3.84Å; F39-L67 HydrophobicContact CB-CD2 4.03Å; F39-L67 HydrophobicContact CD1-CD1 4.17Å; F39-L67 HydrophobicContact CD1-CD2 3.61Å; F39-L67 HydrophobicContact CD2-CD2 3.74Å; F39-L67 HydrophobicContact CE1-CD2 4.01Å; F39-L67 HydrophobicContact CE2-CD2 4.15Å; F39-L67 HydrophobicContact CG-CD1 4.1Å; F39-L67 HydrophobicContact CG-CD2 3.48Å; F39-L67 VanDerWaalsContact CG-CD2 3.48Å; F39-L67 HydrophobicContact CG-CG 4.47Å; F39-L67 HydrophobicContact CZ-CD2 4.29Å; F39-L72 HydrophobicContact CD2-CD1 3.89Å; F39-L72 HydrophobicContact CE2-CD1 4.19Å; F39-A75 HydrophobicContact CE2-CB 3.53Å; F39-A75 HydrophobicContact CZ-CB 3.51Å; F39-I79 HydrophobicContact CE2-CD1 4.49Å
40K82.6Confident80.4Confident126 Ų12672.5 Ų72.555%0.54837%0.37SS..Hα-helixtrans-61.9-44.1174.9-171.5178.4177.9-176.40112.2A36 D37 V38 L42 L43 E44A36-K40 WeakPolarHBondContact O-CB 3.29Å; A36-K40 PolarHBondContact O-N 3.35Å; D37-K40 PolarHBondContact O-N 3.42Å; V38-K40 PolarHBondContact O-N 2.95Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.42Å; K40-L43 WeakPolarHBondContact O-CB 3.33Å; K40-L43 PolarHBondContact O-N 3.07Å; K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 3.38Å; K40-E44 VanDerWaalsContact O-N 3.11Å
41R82.1Confident81.6Confident84 Ų8469.1 Ų69.132%0.31736%0.355SS..Hα-helixtrans-64.5-33174-71.5-177.6-75.8163.6-7.1112.6D37 V38 E44 L111 M113D37-R41 WeakPolarHBondContact O-CG 3.28Å; D37-R41 PolarHBondContact O-N 3.42Å; D37-R41 VanDerWaalsContact O-N 3.14Å; D37-R41 PolarHBondContact O-NE 3Å; V38-R41 PolarHBondContact O-N 3.18Å; R41-E44 PolarHBondContact O-N 3.05Å; R41-L111 HydrophobicContact CB-CD2 4.14Å; R41-L111 PolarHBondContact NH2-O 3.49Å; R41-M113 PolarHBondContact NH2-SD 3.03Å
42L85.5Confident82Confident0 Ų067.7 Ų67.70%035%0.35CS..Hα-helixtrans-64-44172-175.471.8000111.2I26 V38 F39 K40 E44 R45 L72 L76 L102 L108 L111I26-L42 HydrophobicContact CD1-CD2 4.04Å; V38-L42 PolarHBondContact O-N 3.13Å; F39-L42 HydrophobicContact CD2-CD2 4.23Å; F39-L42 HydrophobicContact CE2-CD2 4.45Å; F39-L42 VanDerWaalsContact O-CB 3.32Å; F39-L42 WeakPolarHBondContact O-CB 3.42Å; F39-L42 PolarHBondContact O-N 3.48Å; K40-L42 VanDerWaalsContact C-N 3.29Å; K40-L42 PolarHBondContact O-N 3.42Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.4Å; L42-R45 PolarHBondContact O-N 3.43Å; L42-R45 VanDerWaalsContact O-N 3.14Å; L42-L72 HydrophobicContact CD2-CD1 4.46Å; L42-L76 HydrophobicContact CD2-CD2 4.23Å; L42-L102 HydrophobicContact CD1-CD1 4.28Å; L42-L102 HydrophobicContact CD1-CD2 4.19Å; L42-L102 HydrophobicContact CG-CD2 4.44Å; L42-L108 HydrophobicContact CD1-CD1 4.28Å; L42-L108 HydrophobicContact CD1-CD2 3.85Å; L42-L111 HydrophobicContact CB-CD1 4.2Å; L42-L111 HydrophobicContact CD1-CD1 3.73Å
43L83.9Confident82.3Confident18 Ų1862.8 Ų62.89%0.09433%0.328CS..Hα-helixtrans-61-38.2177.2-73.9179.2000112.5F39 K40 R45 T46 L53 I56 I79F39-L43 HydrophobicContact CD1-CD1 4.17Å; F39-L43 HydrophobicContact CD1-CG 4.47Å; F39-L43 HydrophobicContact CE1-CD1 3.57Å; F39-L43 HydrophobicContact CE1-CD2 4.33Å; F39-L43 HydrophobicContact CE1-CG 3.93Å; F39-L43 HydrophobicContact CE2-CD2 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.35Å; F39-L43 HydrophobicContact CZ-CD1 3.92Å; F39-L43 HydrophobicContact CZ-CD2 3.81Å; F39-L43 HydrophobicContact CZ-CG 3.83Å; F39-L43 PolarHBondContact O-N 2.96Å; K40-L43 WeakPolarHBondContact O-CB 3.33Å; K40-L43 PolarHBondContact O-N 3.07Å; L43-R45 PolarHBondContact O-N 3.06Å; L43-T46 WeakPolarHBondContact O-CB 3.4Å; L43-T46 WeakPolarHBondContact O-CG2 3.28Å; L43-T46 PolarHBondContact O-N 3.02Å; L43-T46 PolarHBondContact O-OG1 3.24Å; L43-L53 HydrophobicContact CB-CD2 4Å; L43-L53 HydrophobicContact CD2-CD2 3.97Å; L43-L53 HydrophobicContact CG-CD2 4.41Å; L43-I56 HydrophobicContact CD2-CG2 4.38Å; L43-I79 HydrophobicContact CD2-CD1 3.64Å; L43-I79 HydrophobicContact CD2-CG1 3.9Å
44E81.4Confident82.2Confident132 Ų13260.6 Ų60.662%0.61733%0.33SS*.Hα-helixtrans-61.6-25.7176.8-71.2169.7178.400113K40 R41 L42K40-E44 WeakPolarHBondContact O-CG 3.47Å; K40-E44 PolarHBondContact O-N 3.38Å; K40-E44 VanDerWaalsContact O-N 3.11Å; R41-E44 PolarHBondContact O-N 3.05Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.4Å
45R81.4Confident82.1Confident130 Ų13063.8 Ų63.849%0.49135%0.345SS..THydrogen-bonded Turntrans-82.7-8.3176-70.4-161.1170.2-177.7-3.6114.8L42 L43 G47 E107L42-R45 PolarHBondContact O-N 3.43Å; L42-R45 VanDerWaalsContact O-N 3.14Å; L43-R45 PolarHBondContact O-N 3.06Å; R45-G47 VanDerWaalsContact C-N 3.29Å; R45-G47 PolarHBondContact O-N 3.42Å; R45-E107 PolarHBondContact NH1-O 3.31Å
46T82Confident82.2Confident9 Ų960.3 Ų60.36%0.05533%0.329CS..THydrogen-bonded Turntrans-75.7-15.2-174.663.10000114.3L43 L48 I79 Q83 L102L43-T46 WeakPolarHBondContact O-CB 3.4Å; L43-T46 WeakPolarHBondContact O-CG2 3.28Å; L43-T46 PolarHBondContact O-N 3.02Å; L43-T46 PolarHBondContact O-OG1 3.24Å; T46-L48 PolarHBondContact O-N 2.86Å; T46-L48 WeakPolarHBondContact OG1-CG 3.43Å; T46-L48 PolarHBondContact OG1-N 2.93Å; T46-I79 HydrophobicContact CG2-CD1 4.15Å; T46-I79 HydrophobicContact CG2-CG1 4.28Å; T46-I79 HydrophobicContact CG2-CG2 3.54Å; T46-Q83 PolarHBondContact O-NE2 3.05Å; T46-Q83 VanDerWaalsContact O-NE2 3.07Å; T46-L102 HydrophobicContact CG2-CD2 3.67Å
47G77.2Confident82Confident77 Ų7761.5 Ų61.579%0.79434%0.339SS*.  trans67.610.8-174.800000114.6R45R45-G47 VanDerWaalsContact C-N 3.29Å; R45-G47 PolarHBondContact O-N 3.42Å
48L85.9Confident82.1Confident30 Ų3063.5 Ų63.516%0.15735%0.345CS..  trans-76.4152.1-178.4-68.4173.9000112.5T46 A52 L53 I56 I79 A82 Q83T46-L48 PolarHBondContact O-N 2.86Å; T46-L48 WeakPolarHBondContact OG1-CG 3.43Å; T46-L48 PolarHBondContact OG1-N 2.93Å; L48-A52 HydrophobicContact CB-CB 4.33Å; L48-L53 HydrophobicContact CB-CD2 3.88Å; L48-L53 HydrophobicContact CB-CG 4.05Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; L48-I56 HydrophobicContact CD1-CD1 3.7Å; L48-I79 HydrophobicContact CD1-CG2 4.24Å; L48-A82 HydrophobicContact CD1-CB 3.7Å; L48-A82 HydrophobicContact CD2-CB 3.69Å; L48-A82 HydrophobicContact CG-CB 4.37Å; L48-Q83 HydrophobicContact CD2-CG 3.77Å; L48-Q83 HydrophobicContact CG-CG 4.2Å
49S84.4Confident81.7Confident75 Ų7567 Ų6752%0.52436%0.361SS..  trans-66.1151.5175.473.60000111.3A51 A52 L53S49-A51 PolarHBondContact O-N 2.97Å; S49-A51 VanDerWaalsContact O-N 3.12Å; S49-A52 PolarHBondContact O-N 2.93Å; S49-A52 PolarHBondContact OG-N 2.98Å; S49-L53 PolarHBondContact O-N 2.94Å
50K81.4Confident81.4Confident186 Ų18667.1 Ų67.181%0.80936%0.362SS*.Hα-helixtrans-52.9-36.3177.7-71.7-175.7177.3-179.20112.7L53 S54K50-L53 PolarHBondContact O-N 3.11Å; K50-S54 PolarHBondContact O-N 3.31Å; K50-S54 PolarHBondContact O-OG 3.44Å
51A80.9Confident81.1Confident62 Ų6267.2 Ų67.251%0.51237%0.368SS..Hα-helixtrans-66.3-39.9177.400000112.8S49 Q55S49-A51 PolarHBondContact O-N 2.97Å; S49-A51 VanDerWaalsContact O-N 3.12Å; A51-Q55 WeakPolarHBondContact O-CG 3.31Å; A51-Q55 PolarHBondContact O-N 3.44Å
52A80.7Confident80.7Confident15 Ų1566 Ų6612%0.12437%0.372CS..Hα-helixtrans-69.9-38.1176.200000111.7L48 S49 Q55 I56L48-A52 HydrophobicContact CB-CB 4.33Å; S49-A52 PolarHBondContact O-N 2.93Å; S49-A52 PolarHBondContact OG-N 2.98Å; A52-Q55 PolarHBondContact O-N 3.25Å; A52-I56 VanDerWaalsContact O-CG1 3.27Å; A52-I56 WeakPolarHBondContact O-CG1 3.2Å; A52-I56 PolarHBondContact O-N 3.06Å
53L83.1Confident79.7Confident39 Ų3970.4 Ų70.420%0.20440%0.399CS..Hα-helixtrans-64.3-43.1176-67.4178.4000112.4L43 L48 S49 K50 Q55 I56 A57L43-L53 HydrophobicContact CB-CD2 4Å; L43-L53 HydrophobicContact CD2-CD2 3.97Å; L43-L53 HydrophobicContact CG-CD2 4.41Å; L48-L53 HydrophobicContact CB-CD2 3.88Å; L48-L53 HydrophobicContact CB-CG 4.05Å; L48-L53 HydrophobicContact CD1-CD2 4.18Å; S49-L53 PolarHBondContact O-N 2.94Å; K50-L53 PolarHBondContact O-N 3.11Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.4Å; L53-I56 PolarHBondContact O-N 3.13Å; L53-A57 PolarHBondContact O-N 2.99Å
54S79.9Confident78.8Confident69 Ų6976.7 Ų76.748%0.48343%0.433SS..Hα-helixtrans-61.9-41.9174.7-63.50000112K50 I56 A57 E58K50-S54 PolarHBondContact O-N 3.31Å; K50-S54 PolarHBondContact O-OG 3.44Å; S54-I56 VanDerWaalsContact C-N 3.32Å; S54-I56 PolarHBondContact O-N 2.92Å; S54-A57 PolarHBondContact O-N 2.94Å; S54-E58 WeakPolarHBondContact O-CG 3.31Å; S54-E58 PolarHBondContact O-N 3.03Å
55Q80.3Confident78.6Confident67 Ų6772.2 Ų72.231%0.31342%0.422SS..Hα-helixtrans-63.6-37175.7-73.6174.214.800112.3A51 A52 L53 H59 P88A51-Q55 WeakPolarHBondContact O-CG 3.31Å; A51-Q55 PolarHBondContact O-N 3.44Å; A52-Q55 PolarHBondContact O-N 3.25Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.4Å; Q55-H59 PolarHBondContact O-ND1 3.36Å; Q55-P88 HydrophobicContact CB-CG 4.28Å
56I82.4Confident78.6Confident0 Ų068.6 Ų68.60%041%0.41CS..Hα-helixtrans-67.2-42.9175.6-68.9166.1000110.3L43 L48 A52 L53 S54 E58 H59 I60 L78 I79 A82 P88L43-I56 HydrophobicContact CD2-CG2 4.38Å; L48-I56 HydrophobicContact CD1-CD1 3.7Å; A52-I56 VanDerWaalsContact O-CG1 3.27Å; A52-I56 WeakPolarHBondContact O-CG1 3.2Å; A52-I56 PolarHBondContact O-N 3.06Å; L53-I56 PolarHBondContact O-N 3.13Å; S54-I56 VanDerWaalsContact C-N 3.32Å; S54-I56 PolarHBondContact O-N 2.92Å; I56-E58 VanDerWaalsContact C-N 3.33Å; I56-E58 PolarHBondContact O-N 3.45Å; I56-H59 PolarHBondContact O-N 3.16Å; I56-H59 VanDerWaalsContact O-N 3.12Å; I56-I60 HydrophobicContact CG2-CD1 3.46Å; I56-I60 VanDerWaalsContact CG2-CD1 3.46Å; I56-I60 HydrophobicContact CG2-CG1 4.44Å; I56-I60 WeakPolarHBondContact O-CD1 3.44Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.42Å; I56-L78 HydrophobicContact CG1-CB 4.19Å; I56-L78 HydrophobicContact CG2-CB 4.38Å; I56-I79 HydrophobicContact CD1-CG1 4.06Å; I56-A82 HydrophobicContact CD1-CB 4.05Å; I56-P88 HydrophobicContact CG1-CB 3.98Å; I56-P88 HydrophobicContact CG1-CG 3.97Å
57A79.7Confident78.8Confident54 Ų5468.1 Ų68.145%0.44641%0.407SS..Hα-helixtrans-62.4-36.4178.700000113.2L53 S54 H59 I60L53-A57 PolarHBondContact O-N 2.99Å; S54-A57 PolarHBondContact O-N 2.94Å; A57-H59 PolarHBondContact O-N 3.06Å; A57-H59 VanDerWaalsContact O-N 3.16Å; A57-I60 PolarHBondContact O-N 3.14Å
58E79.8Confident79.2Confident148 Ų14867.2 Ų67.269%0.69239%0.386SS*.THydrogen-bonded Turntrans-61.3-20.4175-75.4172.2-172.500113.9S54 I56S54-E58 WeakPolarHBondContact O-CG 3.31Å; S54-E58 PolarHBondContact O-N 3.03Å; I56-E58 VanDerWaalsContact C-N 3.33Å; I56-E58 PolarHBondContact O-N 3.45Å
59H75.7Confident79.2Confident77 Ų7768.2 Ų68.236%0.35639%0.389SS..THydrogen-bonded Turntrans-104.74.2-178.6-65.284.5000113.2Q55 I56 A57 L78 P90Q55-H59 PolarHBondContact O-ND1 3.36Å; I56-H59 PolarHBondContact O-N 3.16Å; I56-H59 VanDerWaalsContact O-N 3.12Å; A57-H59 PolarHBondContact O-N 3.06Å; A57-H59 VanDerWaalsContact O-N 3.16Å; H59-L78 HydrophobicContact CB-CD1 3.82Å; H59-P90 HydrophobicContact CB-CG 4.46Å; H59-P90 WeakPolarHBondContact CD2-CD 3.49Å; H59-P90 WeakPolarHBondContact CD2-CG 3.38Å
60I80Confident79.2Confident12 Ų1267.3 Ų67.36%0.06238%0.378CS..  trans-119.6104.6-175.9-65.1171.8000109.1F39 I56 A57 C62 L67 T71 A75F39-I60 HydrophobicContact CE1-CD1 3.57Å; F39-I60 HydrophobicContact CE1-CG2 4.28Å; F39-I60 HydrophobicContact CE2-CD1 4.5Å; F39-I60 HydrophobicContact CZ-CD1 3.39Å; I56-I60 HydrophobicContact CG2-CD1 3.46Å; I56-I60 VanDerWaalsContact CG2-CD1 3.46Å; I56-I60 HydrophobicContact CG2-CG1 4.44Å; I56-I60 WeakPolarHBondContact O-CD1 3.44Å; I56-I60 VanDerWaalsContact O-CG1 3.3Å; I56-I60 WeakPolarHBondContact O-CG1 3.42Å; A57-I60 PolarHBondContact O-N 3.14Å; I60-C62 PolarHBondContact O-N 3.38Å; I60-L67 HydrophobicContact CG2-CD2 3.71Å; I60-L67 HydrophobicContact CG2-CG 4.21Å; I60-T71 HydrophobicContact CG2-CG2 3.63Å; I60-A75 HydrophobicContact CD1-CB 3.34Å; I60-A75 HydrophobicContact CG1-CB 4.08Å
61D75.2Confident79.4Confident127 Ų12759.6 Ų59.668%0.67935%0.346SS*.  trans-76.4117.6173.7-65.9-38.6000110.7
62C73.8Confident79.7Confident59 Ų5956.6 Ų56.640%0.39932%0.322SS..  trans-102.294.6171-61.80000109.2I60 L67I60-C62 PolarHBondContact O-N 3.38Å; C62-L67 WeakPolarHBondContact SG-CD1 3.44Å
63T64.3Low80Confident93 Ų9356 Ų5657%0.57132%0.316SS*.BIsolated β-bridgetrans-78.2127.9172.9450000110G65 F66T63-G65 PolarHBondContact O-N 2.92Å; T63-G65 VanDerWaalsContact O-N 3.13Å; T63-F66 PolarHBondContact N-O 3.49Å; T63-F66 PolarHBondContact O-N 3.31Å
64D65.6Low80.2Confident150 Ų15058 Ų5880%0.80232%0.323SS*.THydrogen-bonded Turntrans55.225.6179.8-58.7-32.7000115.4F66D64-F66 WeakPolarHBondContact O-CD2 3.19Å; D64-F66 WeakPolarHBondContact O-CE2 3.41Å
65G76.6Confident80.5Confident37 Ų3754.7 Ų54.738%0.38130%0.3SS..THydrogen-bonded Turntrans79.714.2-178.800000114.5A36 T63A36-G65 WeakPolarHBondContact CB-O 3.47Å; A36-G65 PolarHBondContact N-O 2.62Å; T63-G65 PolarHBondContact O-N 2.92Å; T63-G65 VanDerWaalsContact O-N 3.13Å
66F82.8Confident80.9Confident54 Ų5451.5 Ų51.524%0.23729%0.286CS..EExtended strand (participates in β ladder)trans-125.3150.1176.7-61.4-97.4000112R33 V34 Q35 T63 D64R33-F66 HydrophobicContact CB-CB 4.19Å; R33-F66 HydrophobicContact CB-CD1 4.24Å; V34-F66 CarbonylContact O-C 3.55Å; V34-F66 WeakPolarHBondContact O-CA 3.18Å; Q35-F66 HydrophobicContact CB-CD1 4.42Å; Q35-F66 HydrophobicContact CB-CE1 4.48Å; Q35-F66 HydrophobicContact CG-CD1 3.57Å; Q35-F66 HydrophobicContact CG-CE1 3.23Å; Q35-F66 HydrophobicContact CG-CZ 3.96Å; T63-F66 PolarHBondContact N-O 3.49Å; T63-F66 PolarHBondContact O-N 3.31Å; D64-F66 WeakPolarHBondContact O-CD2 3.19Å; D64-F66 WeakPolarHBondContact O-CE2 3.41Å
67L85.5Confident81.1Confident0 Ų051.5 Ų51.50%029%0.286CS..EExtended strand (participates in β ladder)trans-102.5131.2169.7-70.979.2000108.6R33 V34 A36 F39 I60 C62 T71R33-L67 WeakPolarHBondContact CA-O 3.5Å; V34-L67 HydrophobicContact CB-CB 4.46Å; V34-L67 PolarHBondContact N-O 3.36Å; V34-L67 PolarHBondContact O-N 2.85Å; A36-L67 HydrophobicContact CB-CD1 4.23Å; F39-L67 HydrophobicContact CB-CD1 3.84Å; F39-L67 HydrophobicContact CB-CD2 4.03Å; F39-L67 HydrophobicContact CD1-CD1 4.17Å; F39-L67 HydrophobicContact CD1-CD2 3.61Å; F39-L67 HydrophobicContact CD2-CD2 3.74Å; F39-L67 HydrophobicContact CE1-CD2 4.01Å; F39-L67 HydrophobicContact CE2-CD2 4.15Å; F39-L67 HydrophobicContact CG-CD1 4.1Å; F39-L67 HydrophobicContact CG-CD2 3.48Å; F39-L67 VanDerWaalsContact CG-CD2 3.48Å; F39-L67 HydrophobicContact CG-CG 4.47Å; F39-L67 HydrophobicContact CZ-CD2 4.29Å; I60-L67 HydrophobicContact CG2-CD2 3.71Å; I60-L67 HydrophobicContact CG2-CG 4.21Å; C62-L67 WeakPolarHBondContact SG-CD1 3.44Å; L67-T71 HydrophobicContact CB-CG2 4.37Å; L67-T71 HydrophobicContact CD2-CG2 4.24Å; L67-T71 HydrophobicContact CG-CG2 4.25Å
68T85.8Confident81.3Confident57 Ų5749.1 Ų49.135%0.3527%0.265SS..  trans-68.315916772.80000110.3L70 T71 L72T68-L70 PolarHBondContact O-N 2.97Å; T68-T71 WeakPolarHBondContact O-CB 3.45Å; T68-T71 PolarHBondContact O-N 2.86Å; T68-T71 VanDerWaalsContact O-N 3.09Å; T68-T71 WeakPolarHBondContact OG1-CB 3.35Å; T68-T71 PolarHBondContact OG1-N 3.42Å; T68-T71 VanDerWaalsContact OG1-N 3.11Å; T68-T71 PolarHBondContact OG1-OG1 3.41Å; T68-L72 PolarHBondContact O-N 2.96Å
69K85Confident81.7Confident52 Ų5242 Ų4223%0.22623%0.232CC..Hα-helixtrans-51.9-42.3173.9-174.3179.3-179.9-163.90112.3E12 L72 Y73E12-K69 IonicContact OE2-NZ 3.9Å; E12-K69 PolarHBondContact OE2-NZ 3.17Å; K69-L72 WeakPolarHBondContact O-CB 3.25Å; K69-L72 PolarHBondContact O-N 2.64Å; K69-Y73 HydrophobicContact CD-CE2 4.42Å; K69-Y73 WeakPolarHBondContact CE-OH 3.26Å; K69-Y73 HydrophobicContact CG-CE1 4.34Å; K69-Y73 HydrophobicContact CG-CE2 3.78Å; K69-Y73 PolarHBondContact O-N 3.11Å; K69-Y73 VanDerWaalsContact O-N 3.08Å
70L84.1Confident82.2Confident55 Ų5538.4 Ų38.429%0.28822%0.216SC..Hα-helixtrans-68.5-41177.7-17069.6000112.5I10 T68 L72 Y73 K74I10-L70 HydrophobicContact CB-CD1 4.04Å; I10-L70 HydrophobicContact CG2-CD1 4.1Å; I10-L70 WeakPolarHBondContact O-CD1 3.34Å; T68-L70 PolarHBondContact O-N 2.97Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 3.25Å; L70-Y73 PolarHBondContact O-N 3.48Å; L70-K74 WeakPolarHBondContact O-CG 3.11Å; L70-K74 PolarHBondContact O-N 2.75Å
71T85.5Confident82.4Confident24 Ų2438.3 Ų38.315%0.14722%0.215CC..Hα-helixtrans-61.7-39.4175.1-57.70000111.1I60 L67 T68 K74 A75I60-T71 HydrophobicContact CG2-CG2 3.63Å; L67-T71 HydrophobicContact CB-CG2 4.37Å; L67-T71 HydrophobicContact CD2-CG2 4.24Å; L67-T71 HydrophobicContact CG-CG2 4.25Å; T68-T71 WeakPolarHBondContact O-CB 3.45Å; T68-T71 PolarHBondContact O-N 2.86Å; T68-T71 VanDerWaalsContact O-N 3.09Å; T68-T71 WeakPolarHBondContact OG1-CB 3.35Å; T68-T71 PolarHBondContact OG1-N 3.42Å; T68-T71 VanDerWaalsContact OG1-N 3.11Å; T68-T71 PolarHBondContact OG1-OG1 3.41Å; T71-K74 PolarHBondContact O-N 2.94Å; T71-A75 WeakPolarHBondContact O-CB 3.21Å; T71-A75 PolarHBondContact O-N 2.7Å
72L87.9Confident82.8Confident0 Ų032.9 Ų32.90%019%0.188CC..Hα-helixtrans-63.5-43.1174.1178.970.3000112H23 I26 V34 F39 L42 T68 K69 L70 K74 A75 L76H23-L72 HydrophobicContact CB-CD2 3.8Å; I26-L72 HydrophobicContact CD1-CD1 3.93Å; I26-L72 HydrophobicContact CD1-CD2 3.9Å; I26-L72 HydrophobicContact CG1-CD2 4.43Å; V34-L72 HydrophobicContact CG2-CD2 4Å; F39-L72 HydrophobicContact CD2-CD1 3.89Å; F39-L72 HydrophobicContact CE2-CD1 4.19Å; L42-L72 HydrophobicContact CD2-CD1 4.46Å; T68-L72 PolarHBondContact O-N 2.96Å; K69-L72 WeakPolarHBondContact O-CB 3.25Å; K69-L72 PolarHBondContact O-N 2.64Å; L70-L72 VanDerWaalsContact C-N 3.29Å; L70-L72 PolarHBondContact O-N 3.25Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.32Å; L72-A75 WeakPolarHBondContact O-CA 3.36Å; L72-A75 VanDerWaalsContact O-CB 3.29Å; L72-A75 WeakPolarHBondContact O-CB 3.35Å; L72-A75 PolarHBondContact O-N 2.6Å; L72-A75 VanDerWaalsContact O-N 3.12Å; L72-L76 HydrophobicContact CG-CD1 4.35Å; L72-L76 HydrophobicContact CG-CG 4.47Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.85Å
73Y87.9Confident83.3Confident1 Ų132.2 Ų32.20%0.00418%0.179CC..Hα-helixtrans-63.9-39.2177.8-63.6-19.2000112.5E12 V15 Y19 H23 K69 L70 A75 L76 A77E12-Y73 HydrophobicContact CG-CE2 4.49Å; V15-Y73 HydrophobicContact CB-CD2 4.48Å; V15-Y73 HydrophobicContact CG1-CD2 3.87Å; V15-Y73 HydrophobicContact CG1-CE2 4.49Å; V15-Y73 HydrophobicContact CG1-CG 4.24Å; V15-Y73 HydrophobicContact CG2-CD2 4.1Å; V15-Y73 HydrophobicContact CG2-CE2 3.91Å; Y19-Y73 HydrophobicContact CD2-CD1 4.14Å; Y19-Y73 HydrophobicContact CD2-CG 4.31Å; Y19-Y73 WeakPolarHBondContact CE2-O 3.35Å; Y19-Y73 WeakPolarHBondContact O-CE1 3.38Å; H23-Y73 HydrophobicContact CB-CE1 3.88Å; K69-Y73 HydrophobicContact CD-CE2 4.42Å; K69-Y73 WeakPolarHBondContact CE-OH 3.26Å; K69-Y73 HydrophobicContact CG-CE1 4.34Å; K69-Y73 HydrophobicContact CG-CE2 3.78Å; K69-Y73 PolarHBondContact O-N 3.11Å; K69-Y73 VanDerWaalsContact O-N 3.08Å; L70-Y73 PolarHBondContact O-N 3.48Å; Y73-A75 VanDerWaalsContact C-N 3.3Å; Y73-A75 PolarHBondContact O-N 3.21Å; Y73-L76 HydrophobicContact CD1-CD1 4.4Å; Y73-L76 PolarHBondContact O-N 3.08Å; Y73-A77 PolarHBondContact O-N 2.68Å; Y73-A77 VanDerWaalsContact O-N 3.14Å
74K85.9Confident84.3Confident82 Ų8232.5 Ų32.536%0.35717%0.174SC..Hα-helixtrans-58.3-45.4170.6-70.7174.9-179.2178.10110.8I10 L70 T71 L72 A77 L78I10-K74 HydrophobicContact CD1-CB 4.26Å; I10-K74 HydrophobicContact CD1-CG 3.56Å; I10-K74 HydrophobicContact CG1-CG 4.31Å; L70-K74 WeakPolarHBondContact O-CG 3.11Å; L70-K74 PolarHBondContact O-N 2.75Å; T71-K74 PolarHBondContact O-N 2.94Å; L72-K74 VanDerWaalsContact C-N 3.33Å; L72-K74 PolarHBondContact O-N 3.32Å; K74-A77 PolarHBondContact O-N 2.95Å; K74-L78 WeakPolarHBondContact O-CG 3.48Å; K74-L78 PolarHBondContact O-N 3.35Å
75A87.4Confident84.8Confident0 Ų028.9 Ų28.90%017%0.171CC..Hα-helixtrans-60.5-46.7178.400000112.9F39 I60 T71 L72 Y73 A77 L78 I79F39-A75 HydrophobicContact CE2-CB 3.53Å; F39-A75 HydrophobicContact CZ-CB 3.51Å; I60-A75 HydrophobicContact CD1-CB 3.34Å; I60-A75 HydrophobicContact CG1-CB 4.08Å; T71-A75 WeakPolarHBondContact O-CB 3.21Å; T71-A75 PolarHBondContact O-N 2.7Å; L72-A75 WeakPolarHBondContact O-CA 3.36Å; L72-A75 VanDerWaalsContact O-CB 3.29Å; L72-A75 WeakPolarHBondContact O-CB 3.35Å; L72-A75 PolarHBondContact O-N 2.6Å; L72-A75 VanDerWaalsContact O-N 3.12Å; Y73-A75 VanDerWaalsContact C-N 3.3Å; Y73-A75 PolarHBondContact O-N 3.21Å; A75-A77 VanDerWaalsContact C-N 3.29Å; A75-A77 PolarHBondContact O-N 3.26Å; A75-L78 PolarHBondContact O-N 3.02Å; A75-I79 WeakPolarHBondContact O-CD1 3.22Å; A75-I79 VanDerWaalsContact O-CG1 3.24Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.95Å
76L88.4Confident84.9Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-60.3-38.2178.3-69176.3000112.4Y19 V22 L42 L72 Y73 I79 A80 P100 L102Y19-L76 HydrophobicContact CD1-CB 4.49Å; Y19-L76 HydrophobicContact CD1-CD1 4.36Å; Y19-L76 HydrophobicContact CD2-CB 3.89Å; Y19-L76 HydrophobicContact CD2-CD1 4.01Å; Y19-L76 HydrophobicContact CE1-CB 4.29Å; Y19-L76 HydrophobicContact CE2-CB 3.63Å; Y19-L76 HydrophobicContact CG-CB 4.32Å; Y19-L76 HydrophobicContact CG-CD1 3.88Å; V22-L76 HydrophobicContact CB-CD1 4.15Å; V22-L76 HydrophobicContact CG1-CD1 4Å; V22-L76 HydrophobicContact CG1-CD2 4.04Å; L42-L76 HydrophobicContact CD2-CD2 4.23Å; L72-L76 HydrophobicContact CG-CD1 4.35Å; L72-L76 HydrophobicContact CG-CG 4.47Å; L72-L76 WeakPolarHBondContact O-CG 3.19Å; L72-L76 PolarHBondContact O-N 2.85Å; Y73-L76 HydrophobicContact CD1-CD1 4.4Å; Y73-L76 PolarHBondContact O-N 3.08Å; L76-I79 HydrophobicContact CD2-CD1 4.46Å; L76-I79 PolarHBondContact O-N 2.91Å; L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.29Å; L76-P100 HydrophobicContact CB-CG 4.33Å; L76-P100 HydrophobicContact CD2-CG 4.28Å; L76-L102 HydrophobicContact CD2-CD1 3.5Å; L76-L102 VanDerWaalsContact CD2-CD1 3.5Å
77A85.7Confident84.7Confident0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-68.3-40.8175.800000112.5Y19 Y73 K74 A75 A80 L81 F93 L97Y19-A77 HydrophobicContact CE2-CB 4.19Å; Y19-A77 WeakPolarHBondContact OH-CA 3.4Å; Y19-A77 PolarHBondContact OH-N 3.31Å; Y73-A77 PolarHBondContact O-N 2.68Å; Y73-A77 VanDerWaalsContact O-N 3.14Å; K74-A77 PolarHBondContact O-N 2.95Å; A75-A77 VanDerWaalsContact C-N 3.29Å; A75-A77 PolarHBondContact O-N 3.26Å; A77-A80 PolarHBondContact O-N 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.29Å; A77-L81 PolarHBondContact O-N 3.48Å; A77-F93 HydrophobicContact CB-CD1 4.46Å; A77-F93 HydrophobicContact CB-CE1 3.69Å; A77-L97 HydrophobicContact CB-CD2 3.85Å
78L85.2Confident84.1Confident3 Ų337.6 Ų37.62%0.01620%0.199CC..Hα-helixtrans-66-39175.8-68.1173.3000112.1I56 H59 K74 A75 L81 A82 P88I56-L78 HydrophobicContact CG1-CB 4.19Å; I56-L78 HydrophobicContact CG2-CB 4.38Å; H59-L78 HydrophobicContact CB-CD1 3.82Å; K74-L78 WeakPolarHBondContact O-CG 3.48Å; K74-L78 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.02Å; L78-L81 PolarHBondContact O-N 3.29Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 2.79Å; L78-P88 HydrophobicContact CB-CB 4.44Å; L78-P88 HydrophobicContact CD2-CB 4.1Å
79I87.2Confident83.5Confident0 Ų036.6 Ų36.60%020%0.195CC..Hα-helixtrans-60.1-48.4173.6-69.6163.2000110.2F39 L43 T46 L48 I56 A75 L76 L81 A82 Q83 P100F39-I79 HydrophobicContact CE2-CD1 4.49Å; L43-I79 HydrophobicContact CD2-CD1 3.64Å; L43-I79 HydrophobicContact CD2-CG1 3.9Å; T46-I79 HydrophobicContact CG2-CD1 4.15Å; T46-I79 HydrophobicContact CG2-CG1 4.28Å; T46-I79 HydrophobicContact CG2-CG2 3.54Å; L48-I79 HydrophobicContact CD1-CG2 4.24Å; I56-I79 HydrophobicContact CD1-CG1 4.06Å; A75-I79 WeakPolarHBondContact O-CD1 3.22Å; A75-I79 VanDerWaalsContact O-CG1 3.24Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.95Å; L76-I79 HydrophobicContact CD2-CD1 4.46Å; L76-I79 PolarHBondContact O-N 2.91Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.88Å; I79-A82 WeakPolarHBondContact O-CB 3.16Å; I79-A82 PolarHBondContact O-N 2.79Å; I79-Q83 HydrophobicContact CG2-CG 4.47Å; I79-Q83 WeakPolarHBondContact O-CG 3.24Å; I79-Q83 PolarHBondContact O-N 3.07Å; I79-P100 HydrophobicContact CB-CB 4.46Å; I79-P100 HydrophobicContact CG2-CB 3.91Å
80A86Confident82.4Confident1 Ų136.8 Ų36.81%0.00820%0.201CC..Hα-helixtrans-63-38.8-179.900000112.3L76 A77 Q83 Q84 P98 P100L76-A80 WeakPolarHBondContact O-CB 3.49Å; L76-A80 PolarHBondContact O-N 3.29Å; A77-A80 PolarHBondContact O-N 3.32Å; A80-Q83 PolarHBondContact O-N 3.44Å; A80-Q84 WeakPolarHBondContact O-CG 3.5Å; A80-Q84 PolarHBondContact O-N 2.81Å; A80-Q84 VanDerWaalsContact O-N 3.17Å; A80-P98 HydrophobicContact CB-CB 3.79Å; A80-P98 HydrophobicContact CB-CG 3.78Å; A80-P98 VanDerWaalsContact CB-O 3.29Å; A80-P98 WeakPolarHBondContact CB-O 3.39Å; A80-P100 HydrophobicContact CB-CB 3.84Å; A80-P100 HydrophobicContact CB-CG 4.41Å
81L83.8Confident81.4Confident10 Ų1042.9 Ų42.95%0.05223%0.226CC..Hα-helixtrans-64.1-43.1173.8-73.1172.1000111.9A77 L78 I79 Q83 Q84 G85 K86 L92 P98A77-L81 WeakPolarHBondContact O-CG 3.29Å; A77-L81 PolarHBondContact O-N 3.48Å; L78-L81 PolarHBondContact O-N 3.29Å; I79-L81 VanDerWaalsContact C-N 3.33Å; I79-L81 PolarHBondContact O-N 2.88Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.02Å; L81-Q84 PolarHBondContact O-N 3.28Å; L81-G85 PolarHBondContact O-N 3.02Å; L81-K86 HydrophobicContact CD2-CD 3.96Å; L81-K86 WeakPolarHBondContact O-CB 3.41Å; L81-K86 PolarHBondContact O-N 3.16Å; L81-L92 HydrophobicContact CD1-CB 4.12Å; L81-L92 HydrophobicContact CD1-CD1 4.43Å; L81-P98 HydrophobicContact CD2-CG 4.05Å; L81-P98 HydrophobicContact CG-CG 4.05Å
82A83.9Confident79.9Confident13 Ų1345.6 Ų45.611%0.10724%0.239CC..Hα-helixtrans-63.3-40.1177.500000111.9L48 I56 L78 I79 Q84 G85 P88L48-A82 HydrophobicContact CD1-CB 3.7Å; L48-A82 HydrophobicContact CD2-CB 3.69Å; L48-A82 HydrophobicContact CG-CB 4.37Å; I56-A82 HydrophobicContact CD1-CB 4.05Å; L78-A82 WeakPolarHBondContact O-CB 3.47Å; L78-A82 PolarHBondContact O-N 2.79Å; I79-A82 WeakPolarHBondContact O-CB 3.16Å; I79-A82 PolarHBondContact O-N 2.79Å; A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 3.11Å; A82-G85 PolarHBondContact O-N 3.34Å; A82-P88 HydrophobicContact CB-CG 4.13Å
83Q85.5Confident78.6Confident45 Ų4548.2 Ų48.221%0.2125%0.25CS..Hα-helixtrans-66.6-27176.8-72.8175.8-34.600112.5T46 L48 I79 A80 L81 G85 Q101T46-Q83 PolarHBondContact O-NE2 3.05Å; T46-Q83 VanDerWaalsContact O-NE2 3.07Å; L48-Q83 HydrophobicContact CD2-CG 3.77Å; L48-Q83 HydrophobicContact CG-CG 4.2Å; I79-Q83 HydrophobicContact CG2-CG 4.47Å; I79-Q83 WeakPolarHBondContact O-CG 3.24Å; I79-Q83 PolarHBondContact O-N 3.07Å; A80-Q83 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.34Å; L81-Q83 PolarHBondContact O-N 3.02Å; Q83-G85 PolarHBondContact O-N 3.43Å; Q83-Q101 PolarHBondContact NE2-O 3.38Å
84Q83.6Confident76.9Confident99 Ų9954.1 Ų54.146%0.46328%0.28SS..THydrogen-bonded Turntrans-79.63.8171.2-67.5174.315.600113.4A80 L81 A82 K86 P98A80-Q84 WeakPolarHBondContact O-CG 3.5Å; A80-Q84 PolarHBondContact O-N 2.81Å; A80-Q84 VanDerWaalsContact O-N 3.17Å; L81-Q84 PolarHBondContact O-N 3.28Å; A82-Q84 VanDerWaalsContact C-N 3.25Å; A82-Q84 PolarHBondContact O-N 3.11Å; Q84-K86 VanDerWaalsContact C-N 3.28Å; Q84-K86 PolarHBondContact O-N 2.72Å; Q84-P98 VanDerWaalsContact NE2-CB 3.3Å
85G77.2Confident75.4Confident73 Ų7359.3 Ų59.375%0.75331%0.306SS*.THydrogen-bonded Turntrans75.611.5-177.500000114.5L81 A82 Q83L81-G85 PolarHBondContact O-N 3.02Å; A82-G85 PolarHBondContact O-N 3.34Å; Q83-G85 PolarHBondContact O-N 3.43Å
86K79.4Confident74.3Confident109 Ų10967.9 Ų67.947%0.47435%0.346SS..  trans-89.6148176.5-63.6175-178.4163.70110.3L81 Q84L81-K86 HydrophobicContact CD2-CD 3.96Å; L81-K86 WeakPolarHBondContact O-CB 3.41Å; L81-K86 PolarHBondContact O-N 3.16Å; Q84-K86 VanDerWaalsContact C-N 3.28Å; Q84-K86 PolarHBondContact O-N 2.72Å
87K76.8Confident73.7Confident158 Ų15869.4 Ų69.469%0.68735%0.354SS*.  trans-64.1126.7175.4-169.9174.3-179.81780109.6S89K87-S89 PolarHBondContact O-N 2.96Å
88P73.7Confident73.5Confident7 Ų770.6 Ų70.65%0.04536%0.361CS..  trans-60.8113.5176.6-14.826000109.2Q55 I56 L78 A82Q55-P88 HydrophobicContact CB-CG 4.28Å; I56-P88 HydrophobicContact CG1-CB 3.98Å; I56-P88 HydrophobicContact CG1-CG 3.97Å; L78-P88 HydrophobicContact CB-CB 4.44Å; L78-P88 HydrophobicContact CD2-CB 4.1Å; A82-P88 HydrophobicContact CB-CG 4.13Å
89S72.9Confident73.4Confident36 Ų3676.8 Ų76.825%0.25239%0.388SS..  trans-144.3132.1175.9-175.20000110.2K87 K91 L92K87-S89 PolarHBondContact O-N 2.96Å; S89-K91 PolarHBondContact O-N 3.46Å; S89-L92 PolarHBondContact O-N 3.01Å
90P62.7Low73.3Confident56 Ų5676.9 Ų76.936%0.36439%0.389SS..THydrogen-bonded Turntrans-65.4-8.2177.5-17.528.4000114.2H59 L92 F93H59-P90 HydrophobicContact CB-CG 4.46Å; H59-P90 WeakPolarHBondContact CD2-CD 3.49Å; H59-P90 WeakPolarHBondContact CD2-CG 3.38Å; P90-L92 VanDerWaalsContact C-N 3.35Å; P90-F93 HydrophobicContact CB-CE2 4.19Å; P90-F93 WeakPolarHBondContact O-CD2 3.34Å; P90-F93 WeakPolarHBondContact O-CE2 3.47Å
91K61.6Low73.3Confident184 Ų18484.2 Ų84.280%0.842%0.423SS*.THydrogen-bonded Turntrans-88.10.1-176.6-61.4-174.3-177.2178.30113.7S89S89-K91 PolarHBondContact O-N 3.46Å
92L55.6Low73.1Confident81 Ų8184.2 Ų84.242%0.42442%0.423SS..  trans-97.89.6-171.3-78.7162.8000114.9L81 S89 P90 I94L81-L92 HydrophobicContact CD1-CB 4.12Å; L81-L92 HydrophobicContact CD1-CD1 4.43Å; S89-L92 PolarHBondContact O-N 3.01Å; P90-L92 VanDerWaalsContact C-N 3.35Å; L92-I94 VanDerWaalsContact C-N 3.28Å; L92-I94 PolarHBondContact O-N 2.8Å
93F59.6Low73Confident55 Ų5585.7 Ų85.724%0.24144%0.44CS..  trans-75.976.2-178.8-52.9-55.4000111.5I10 A77 P90 L97I10-F93 HydrophobicContact CD1-CE1 4.16Å; I10-F93 HydrophobicContact CD1-CE2 4.3Å; I10-F93 HydrophobicContact CD1-CZ 4.01Å; I10-F93 HydrophobicContact CG1-CD2 4.48Å; I10-F93 HydrophobicContact CG1-CE2 4.4Å; A77-F93 HydrophobicContact CB-CD1 4.46Å; A77-F93 HydrophobicContact CB-CE1 3.69Å; P90-F93 HydrophobicContact CB-CE2 4.19Å; P90-F93 WeakPolarHBondContact O-CD2 3.34Å; P90-F93 WeakPolarHBondContact O-CE2 3.47Å; F93-L97 HydrophobicContact CD1-CD2 3.72Å; F93-L97 HydrophobicContact CE1-CD2 4.19Å
94I52.1Low72.7Confident124 Ų12489.4 Ų89.464%0.63646%0.457SS*.  trans-108.8107.8179.5-58.6178.3000108.6L92 E96L92-I94 VanDerWaalsContact C-N 3.28Å; L92-I94 PolarHBondContact O-N 2.8Å; I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å
95H54.7Low72.5Confident191 Ų19185.9 Ų85.988%0.88444%0.443SS*.SBendtrans65.3-35.7169-68.1-65000120.1
96E65.3Low72.1Confident180 Ų18092.3 Ų92.384%0.84144%0.444SS*.SBendtrans-142131.3175.4-74.6-173.2158.200112.5I94I94-E96 VanDerWaalsContact C-N 3.32Å; I94-E96 PolarHBondContact O-N 3.14Å
97L75.8Confident72Confident32 Ų3292.7 Ų92.717%0.16845%0.447CS..PPolyproline II helixtrans-78.4122.8178.9-75.1165000110.4I10 V15 P16 A77 F93I10-L97 HydrophobicContact CD1-CD2 4.34Å; I10-L97 HydrophobicContact CG2-CD1 4.45Å; V15-L97 HydrophobicContact CB-CD1 4.21Å; V15-L97 HydrophobicContact CG1-CD1 3.79Å; P16-L97 HydrophobicContact CG-CB 3.88Å; A77-L97 HydrophobicContact CB-CD2 3.85Å; F93-L97 HydrophobicContact CD1-CD2 3.72Å; F93-L97 HydrophobicContact CE1-CD2 4.19Å
98P80.4Confident72.1Confident25 Ų2585.1 Ų85.116%0.16242%0.415CS..PPolyproline II helixtrans-69.7144.8-174.925.2-31.7000112.5Y19 A80 L81 Q84 P100Y19-P98 PolarHBondContact OH-O 2.97Å; A80-P98 HydrophobicContact CB-CB 3.79Å; A80-P98 HydrophobicContact CB-CG 3.78Å; A80-P98 VanDerWaalsContact CB-O 3.29Å; A80-P98 WeakPolarHBondContact CB-O 3.39Å; L81-P98 HydrophobicContact CD2-CG 4.05Å; L81-P98 HydrophobicContact CG-CG 4.05Å; Q84-P98 VanDerWaalsContact NE2-CB 3.3Å; P98-P100 WeakPolarHBondContact O-CD 3.47Å
99K83.8Confident71.9Confident134 Ų13487.7 Ų87.758%0.58343%0.433SS*.PPolyproline II helixtrans-82.2123.1177.4-173.7178.5177.7178.20110.9Y18Y18-K99 HydrophobicContact CD1-CD 4.35Å; Y18-K99 HydrophobicContact CD1-CG 3.8Å; Y18-K99 HydrophobicContact CE1-CG 4.14Å; Y18-K99 HydrophobicContact CG-CD 4.33Å; Y18-K99 HydrophobicContact CG-CG 4.24Å
100P85.9Confident72Confident2 Ų289.4 Ų89.41%0.01345%0.449CS..PPolyproline II helixtrans-75.8150.5173.929.2-31.1000111.2Y18 Y19 L76 I79 A80 P98 L102Y18-P100 HydrophobicContact CD1-CG 4.44Å; Y18-P100 HydrophobicContact CE1-CG 4.06Å; Y19-P100 HydrophobicContact CE1-CG 4.37Å; L76-P100 HydrophobicContact CB-CG 4.33Å; L76-P100 HydrophobicContact CD2-CG 4.28Å; I79-P100 HydrophobicContact CB-CB 4.46Å; I79-P100 HydrophobicContact CG2-CB 3.91Å; A80-P100 HydrophobicContact CB-CB 3.84Å; A80-P100 HydrophobicContact CB-CG 4.41Å; P98-P100 WeakPolarHBondContact O-CD 3.47Å; P100-L102 HydrophobicContact CB-CD1 4.09Å; P100-L102 HydrophobicContact CB-CG 4.11Å; P100-L102 HydrophobicContact CG-CD1 3.84Å; P100-L102 HydrophobicContact CG-CG 4.32Å; P100-L102 PolarHBondContact O-N 3.47Å
101Q84.8Confident72.4Confident154 Ų15487.3 Ų87.372%0.7244%0.435SS*.  trans-86.488.3173.4-61.2179.6-1.500108.9Q83Q83-Q101 PolarHBondContact NE2-O 3.38Å
102L80.7Confident72.8Confident11 Ų1181.7 Ų81.76%0.05841%0.409CS..  trans-119.44.7179.9-66.3169.5000113.6Y18 L42 T46 L76 P100 L108Y18-L102 WeakPolarHBondContact OH-CB 3.2Å; L42-L102 HydrophobicContact CD1-CD1 4.28Å; L42-L102 HydrophobicContact CD1-CD2 4.19Å; L42-L102 HydrophobicContact CG-CD2 4.44Å; T46-L102 HydrophobicContact CG2-CD2 3.67Å; L76-L102 HydrophobicContact CD2-CD1 3.5Å; L76-L102 VanDerWaalsContact CD2-CD1 3.5Å; P100-L102 HydrophobicContact CB-CD1 4.09Å; P100-L102 HydrophobicContact CB-CG 4.11Å; P100-L102 HydrophobicContact CG-CD1 3.84Å; P100-L102 HydrophobicContact CG-CG 4.32Å; P100-L102 PolarHBondContact O-N 3.47Å; L102-L108 HydrophobicContact CB-CD1 4.17Å
103G80.6Confident72.7Confident44 Ų4481.6 Ų81.645%0.45441%0.407SS..  trans82.8-165.6-174.500000113.4Y18Y18-G103 PolarHBondContact OH-O 3.18Å
104E80Confident72.1Confident122 Ų12286.1 Ų86.157%0.5743%0.429SS*.  trans-75.8138176.5-70-160.8171.900111.2R106 E107E104-R106 PolarHBondContact O-N 3.5Å; E104-E107 HydrophobicContact CB-CG 4.35Å; E104-E107 WeakPolarHBondContact O-CB 3.48Å; E104-E107 PolarHBondContact O-N 3.46Å
105P77.9Confident71.5Confident26 Ų2684.2 Ų84.217%0.16943%0.425CS..Hα-helixtrans-57.5-27.9-179.8-25.435.3000113.7Y18 E21 A25 E107 L108 S109Y18-P105 HydrophobicContact CD2-CG 3.99Å; Y18-P105 HydrophobicContact CE2-CG 3.72Å; E21-P105 HydrophobicContact CB-CB 3.95Å; E21-P105 HydrophobicContact CB-CG 3.78Å; A25-P105 HydrophobicContact CB-CB 4.46Å; A25-P105 VanDerWaalsContact CB-O 3.25Å; A25-P105 WeakPolarHBondContact CB-O 3.27Å; P105-E107 VanDerWaalsContact C-N 3.28Å; P105-E107 PolarHBondContact O-N 2.93Å; P105-L108 WeakPolarHBondContact O-CB 3.22Å; P105-L108 PolarHBondContact O-N 3.18Å; P105-L108 VanDerWaalsContact O-N 3.14Å; P105-S109 PolarHBondContact O-N 2.91Å
106R70.8Confident70.8Confident207 Ų20779.2 Ų79.278%0.78142%0.416SS*.Hα-helixtrans-59.9-36.9174.1-68.9-178.5177.6-178.10.6112.4E104 L108 S109E104-R106 PolarHBondContact O-N 3.5Å; R106-L108 VanDerWaalsContact C-N 3.29Å; R106-L108 PolarHBondContact O-N 2.68Å; R106-S109 WeakPolarHBondContact O-CB 3.49Å; R106-S109 PolarHBondContact O-N 3.16Å; R106-S109 PolarHBondContact O-OG 2.97Å
107E77Confident69.8Low117 Ų11778.8 Ų78.855%0.54741%0.414SS..Hα-helixtrans-75.7-21178.7-59.8179.5165.900112.6R45 E104 P105 S109R45-E107 PolarHBondContact NH1-O 3.31Å; E104-E107 HydrophobicContact CB-CG 4.35Å; E104-E107 WeakPolarHBondContact O-CB 3.48Å; E104-E107 PolarHBondContact O-N 3.46Å; P105-E107 VanDerWaalsContact C-N 3.28Å; P105-E107 PolarHBondContact O-N 2.93Å; E107-S109 VanDerWaalsContact C-N 3.31Å
108L77.2Confident68.5Low0 Ų083.3 Ų83.30%044%0.439CS..Hα-helixtrans-78.2-17.3174.2-58.8177.4000112.3V22 A25 I26 L42 L102 P105 R106 A110 L111V22-L108 HydrophobicContact CB-CD1 4.45Å; V22-L108 HydrophobicContact CG1-CD1 4.08Å; V22-L108 HydrophobicContact CG2-CD1 3.83Å; A25-L108 HydrophobicContact CB-CB 4.12Å; I26-L108 HydrophobicContact CG2-CB 4.16Å; L42-L108 HydrophobicContact CD1-CD1 4.28Å; L42-L108 HydrophobicContact CD1-CD2 3.85Å; L102-L108 HydrophobicContact CB-CD1 4.17Å; P105-L108 WeakPolarHBondContact O-CB 3.22Å; P105-L108 PolarHBondContact O-N 3.18Å; P105-L108 VanDerWaalsContact O-N 3.14Å; R106-L108 VanDerWaalsContact C-N 3.29Å; R106-L108 PolarHBondContact O-N 2.68Å; L108-A110 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact O-N 3.14Å; L108-L111 HydrophobicContact CD2-CD1 3.8Å; L108-L111 VanDerWaalsContact O-CB 3.29Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 2.88Å
109S71.1Confident67.8Low61 Ų6186.3 Ų86.343%0.42745%0.454SS..THydrogen-bonded Turntrans-60.9-20.8173.173.30000113.2P105 R106 E107 L111 R112P105-S109 PolarHBondContact O-N 2.91Å; R106-S109 WeakPolarHBondContact O-CB 3.49Å; R106-S109 PolarHBondContact O-N 3.16Å; R106-S109 PolarHBondContact O-OG 2.97Å; E107-S109 VanDerWaalsContact C-N 3.31Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.25Å; S109-R112 WeakPolarHBondContact O-CB 3.47Å; S109-R112 PolarHBondContact O-N 3.29Å
110A73.4Confident67.6Low72 Ų7282 Ų8260%0.59544%0.438SS*.THydrogen-bonded Turntrans-71.4-20.1171.600000113.6L108L108-A110 PolarHBondContact O-N 3.44Å; L108-A110 VanDerWaalsContact O-N 3.14Å
111L71.4Confident67.4Low12 Ų1282.6 Ų82.66%0.06344%0.441CS..THydrogen-bonded Turntrans-83.4-20.8175.6-58.7179.2000112.5V38 R41 L42 L108 S109 M113V38-L111 WeakPolarHBondContact CG1-O 3.46Å; R41-L111 HydrophobicContact CB-CD2 4.14Å; R41-L111 PolarHBondContact NH2-O 3.49Å; L42-L111 HydrophobicContact CB-CD1 4.2Å; L42-L111 HydrophobicContact CD1-CD1 3.73Å; L108-L111 HydrophobicContact CD2-CD1 3.8Å; L108-L111 VanDerWaalsContact O-CB 3.29Å; L108-L111 WeakPolarHBondContact O-CB 3.34Å; L108-L111 PolarHBondContact O-N 2.88Å; S109-L111 VanDerWaalsContact C-N 3.28Å; S109-L111 PolarHBondContact O-N 3.25Å; L111-M113 PolarHBondContact O-N 3.46Å
112R70.9Confident67.3Low65 Ų6578 Ų7825%0.24542%0.424CS..SBendtrans-48.8134.1170.5-174.6177.2-109158.2-1.3107.8E24 C27 S109 Q114E24-R112 PolarHBondContact O-NH2 3.37Å; C27-R112 VanDerWaalsContact O-CZ 3.25Å; C27-R112 PolarHBondContact O-NE 3.29Å; C27-R112 PolarHBondContact O-NH2 3.01Å; S109-R112 WeakPolarHBondContact O-CB 3.47Å; S109-R112 PolarHBondContact O-N 3.29Å; R112-Q114 PolarHBondContact O-N 3.49Å
113M54.1Low67.3Low80 Ų8078.8 Ų78.839%0.39443%0.427SS..  trans-56.3109163.4-78.6-65.6-72.400106.8V38 R41 L111V38-M113 HydrophobicContact CG2-CB 4.44Å; V38-M113 HydrophobicContact CG2-CG 3.57Å; R41-M113 PolarHBondContact NH2-SD 3.03Å; L111-M113 PolarHBondContact O-N 3.46Å
114Q45.5Very low67.2Low150 Ų15081.9 Ų81.970%0.70144%0.442SS*.  trans-54.2131.3147.4-62.8-121.78.600103.9R112 A116R112-Q114 PolarHBondContact O-N 3.49Å; Q114-A116 PolarHBondContact O-N 3.2Å; Q114-A116 VanDerWaalsContact O-N 3.11Å
115P40.3Very low67.5Low84 Ų8478.5 Ų78.555%0.54543%0.426SS..  trans-45.1131.1158.823.1-30.6000105Q117P115-Q117 WeakPolarHBondContact O-CA 3.48Å; P115-Q117 PolarHBondContact O-N 2.87Å
116A39.8Very low68.3Low86 Ų8680.2 Ų80.271%0.71144%0.437SS*.SBendtrans-37.4111.9176.300000105.7Q114 D118Q114-A116 PolarHBondContact O-N 3.2Å; Q114-A116 VanDerWaalsContact O-N 3.11Å; A116-D118 WeakPolarHBondContact O-CA 3.34Å; A116-D118 PolarHBondContact O-N 3Å
117Q43.5Very low69.4Low170 Ų17070.8 Ų70.879%0.79440%0.401SS*.  trans-29.7108.4-162.3-83.7176.9-43.500107P115 D119P115-Q117 WeakPolarHBondContact O-CA 3.48Å; P115-Q117 PolarHBondContact O-N 2.87Å; Q117-D119 VanDerWaalsContact C-N 3.31Å; Q117-D119 VanDerWaalsContact O-CA 3.26Å; Q117-D119 WeakPolarHBondContact O-CA 3.49Å; Q117-D119 PolarHBondContact O-N 3.45Å
118D48.7Very low70.2Confident127 Ų12770.6 Ų70.668%0.67940%0.4SS*.  trans-42.6108.1-173-85.6-30.8000105.2A116 V120A116-D118 WeakPolarHBondContact O-CA 3.34Å; A116-D118 PolarHBondContact O-N 3Å; D118-V120 VanDerWaalsContact C-N 3.25Å; D118-V120 WeakPolarHBondContact O-CA 3.41Å; D118-V120 WeakPolarHBondContact O-CG2 3.49Å; D118-V120 PolarHBondContact O-N 3.07Å
119D65.8Low71.1Confident89 Ų8975.2 Ų75.248%0.47642%0.422SS..  trans-66.6103-165.2172.213.1000104.1Q117 L121 T122Q117-D119 VanDerWaalsContact C-N 3.31Å; Q117-D119 VanDerWaalsContact O-CA 3.26Å; Q117-D119 WeakPolarHBondContact O-CA 3.49Å; Q117-D119 PolarHBondContact O-N 3.45Å; D119-L121 PolarHBondContact O-N 3.37Å; D119-L121 PolarHBondContact OD1-N 3.15Å; D119-T122 WeakPolarHBondContact O-CA 3.49Å; D119-T122 PolarHBondContact O-N 3.01Å; D119-T122 WeakPolarHBondContact OD2-CB 3.4Å; D119-T122 PolarHBondContact OD2-OG1 2.58Å
120V80.3Confident72.2Confident42 Ų4272.3 Ų72.326%0.25540%0.402SS..THydrogen-bonded Turntrans-62.5-25.7-164.5179.80000109.1D118 I267 Y274 F459 Q463D118-V120 VanDerWaalsContact C-N 3.25Å; D118-V120 WeakPolarHBondContact O-CA 3.41Å; D118-V120 WeakPolarHBondContact O-CG2 3.49Å; D118-V120 PolarHBondContact O-N 3.07Å; V120-I267 HydrophobicContact CG1-CD1 3.28Å; V120-I267 HydrophobicContact CG1-CG1 3.91Å; V120-I267 HydrophobicContact CG1-CG2 4.04Å; V120-Y274 HydrophobicContact CB-CD1 4.12Å; V120-Y274 HydrophobicContact CB-CE1 4.22Å; V120-Y274 HydrophobicContact CG2-CD1 4.31Å; V120-Y274 HydrophobicContact CG2-CE1 3.94Å; V120-F459 HydrophobicContact CG1-CE2 3.94Å; V120-F459 HydrophobicContact CG1-CZ 3.74Å; V120-F459 VanDerWaalsContact O-CZ 3.23Å; V120-F459 WeakPolarHBondContact O-CZ 3.29Å; V120-Q463 PolarHBondContact O-NE2 2.95Å
121L82.4Confident73.2Confident16 Ų1671.3 Ų71.38%0.08439%0.386CS..THydrogen-bonded Turntrans-73.8-29.3172.7-75.6168.5000114.1D119 Y274 L275 F459 Q463 Q466D119-L121 PolarHBondContact O-N 3.37Å; D119-L121 PolarHBondContact OD1-N 3.15Å; L121-Y274 WeakPolarHBondContact CD1-O 3.33Å; L121-L275 HydrophobicContact CD2-CD2 3.87Å; L121-F459 HydrophobicContact CD2-CD2 3.34Å; L121-F459 HydrophobicContact CD2-CE2 3.56Å; L121-F459 HydrophobicContact CD2-CG 4.28Å; L121-F459 HydrophobicContact CG-CD2 4.19Å; L121-F459 HydrophobicContact CG-CE2 3.98Å; L121-Q463 WeakPolarHBondContact O-CG 2.98Å; L121-Q466 PolarHBondContact O-NE2 2.95Å
122T81.6Confident74.3Confident57 Ų5776.2 Ų76.235%0.3542%0.417SS..  trans-88.1129.3-173.2-68.60000112D119D119-T122 WeakPolarHBondContact O-CA 3.49Å; D119-T122 PolarHBondContact O-N 3.01Å; D119-T122 WeakPolarHBondContact OD2-CB 3.4Å; D119-T122 PolarHBondContact OD2-OG1 2.58Å
123I80.9Confident75.5Confident27 Ų2775.3 Ų75.314%0.13842%0.415CS..  trans-92.5103.4168.5-65.6-174.3000108.4Q125 Q463I123-Q125 VanDerWaalsContact C-N 3.29Å; I123-Q125 HydrophobicContact CG2-CB 4.03Å; I123-Q125 HydrophobicContact CG2-CG 3.89Å; I123-Q125 PolarHBondContact O-N 2.81Å; I123-Q463 HydrophobicContact CD1-CB 3.74Å; I123-Q463 HydrophobicContact CD1-CG 4.26Å; I123-Q463 HydrophobicContact CG1-CB 4.12Å; I123-Q463 HydrophobicContact CG1-CG 4.13Å
124S78.3Confident77.5Confident109 Ų10971.8 Ų71.876%0.76240%0.397SS*.  trans-80.573.2173.1-52.60000111.3
125Q87.4Confident80Confident51 Ų5166.3 Ų66.324%0.23837%0.374CS..  trans-131.4143172.2-64.8-169.234.200111.8I123 L130 P228 T470I123-Q125 VanDerWaalsContact C-N 3.29Å; I123-Q125 HydrophobicContact CG2-CB 4.03Å; I123-Q125 HydrophobicContact CG2-CG 3.89Å; I123-Q125 PolarHBondContact O-N 2.81Å; Q125-L130 HydrophobicContact CB-CD2 4.44Å; Q125-L130 HydrophobicContact CB-CG 4.41Å; Q125-P228 VanDerWaalsContact NE2-CB 3.31Å; Q125-T470 WeakPolarHBondContact O-CG2 3.48Å
126T93.2Very high82.8Confident63 Ų6362.4 Ų62.439%0.38735%0.349SS..  trans-95.3162170.483.70000111E128 Q129 L130T126-E128 VanDerWaalsContact C-N 3.28Å; T126-E128 WeakPolarHBondContact CB-OE2 3.02Å; T126-E128 PolarHBondContact O-N 3.33Å; T126-E128 PolarHBondContact OG1-N 3.31Å; T126-E128 PolarHBondContact OG1-OE2 3.19Å; T126-Q129 PolarHBondContact O-N 3.41Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.37Å; T126-Q129 PolarHBondContact OG1-N 3.47Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.26Å; T126-L130 VanDerWaalsContact O-N 3.11Å
127F94.5Very high85.5Confident9 Ų962.2 Ų62.24%0.03933%0.333CS..Hα-helixtrans-56.6-43.4176.5-178.7-124000112Q129 L130 L131 T470 Y471 P473 I474F127-Q129 VanDerWaalsContact C-N 3.35Å; F127-Q129 PolarHBondContact O-N 2.84Å; F127-L130 WeakPolarHBondContact O-CB 3.48Å; F127-L130 PolarHBondContact O-N 3.19Å; F127-L131 HydrophobicContact CD1-CD1 4.17Å; F127-L131 HydrophobicContact CD2-CG 4.48Å; F127-L131 HydrophobicContact CE1-CD1 3.62Å; F127-L131 HydrophobicContact CE1-CG 4.33Å; F127-L131 HydrophobicContact CE2-CD1 4.23Å; F127-L131 HydrophobicContact CE2-CD2 4.03Å; F127-L131 HydrophobicContact CE2-CG 4.1Å; F127-L131 HydrophobicContact CZ-CD1 3.65Å; F127-L131 HydrophobicContact CZ-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CG 4.02Å; F127-L131 WeakPolarHBondContact O-CG 3.23Å; F127-L131 PolarHBondContact O-N 3.31Å; F127-T470 WeakPolarHBondContact CB-O 3.44Å; F127-Y471 AromaticContact CD2-CD1 3.96Å; F127-Y471 HydrophobicContact CD2-CD1 3.96Å; F127-Y471 HydrophobicContact CD2-CE1 4.36Å; F127-Y471 HydrophobicContact CD2-CG 4.39Å; F127-Y471 AromaticContact CE2-CD1 3.6Å; F127-Y471 HydrophobicContact CE2-CD1 3.6Å; F127-Y471 AromaticContact CE2-CE1 3.96Å; F127-Y471 HydrophobicContact CE2-CE1 3.96Å; F127-Y471 HydrophobicContact CE2-CG 4.42Å; F127-P473 HydrophobicContact CB-CB 4.26Å; F127-P473 HydrophobicContact CB-CG 4.23Å; F127-P473 HydrophobicContact CD1-CB 4.06Å; F127-P473 HydrophobicContact CG-CB 4.26Å; F127-I474 HydrophobicContact CE1-CB 4.35Å; F127-I474 HydrophobicContact CE2-CB 4.04Å; F127-I474 HydrophobicContact CE2-CD1 4.5Å; F127-I474 HydrophobicContact CE2-CG1 4.42Å; F127-I474 HydrophobicContact CZ-CB 3.68Å; F127-I474 HydrophobicContact CZ-CD1 4.22Å; F127-I474 HydrophobicContact CZ-CG1 3.82Å
128E94.6Very high88.1Confident112 Ų11254.3 Ų54.352%0.52330%0.296SS..Hα-helixtrans-64.9-39-180-59.471-153.800111.6T126 L130 L131 T132T126-E128 VanDerWaalsContact C-N 3.28Å; T126-E128 WeakPolarHBondContact CB-OE2 3.02Å; T126-E128 PolarHBondContact O-N 3.33Å; T126-E128 PolarHBondContact OG1-N 3.31Å; T126-E128 PolarHBondContact OG1-OE2 3.19Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 2.99Å; E128-L131 PolarHBondContact O-N 3.28Å; E128-T132 WeakPolarHBondContact O-CG2 3.32Å; E128-T132 PolarHBondContact O-N 2.92Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 2.87Å; E128-T132 VanDerWaalsContact O-OG1 3.1Å
129Q94.6Very high90.4Very high97 Ų9753.5 Ų53.545%0.45329%0.288SS..Hα-helixtrans-63.6-39.9175.3-69.7171.8-14.800111.4T126 F127 T132 K133T126-Q129 PolarHBondContact O-N 3.41Å; T126-Q129 WeakPolarHBondContact OG1-CG 3.37Å; T126-Q129 PolarHBondContact OG1-N 3.47Å; F127-Q129 VanDerWaalsContact C-N 3.35Å; F127-Q129 PolarHBondContact O-N 2.84Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.29Å; Q129-T132 PolarHBondContact O-N 2.65Å; Q129-T132 PolarHBondContact O-OG1 2.92Å; Q129-K133 PolarHBondContact O-N 2.68Å
130L95.3Very high91.6Very high0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-64.8-42.5175.6-67.4169.3000111.9Q125 T126 F127 E128 T132 K133 R226 P228 L467 T470 Y471Q125-L130 HydrophobicContact CB-CD2 4.44Å; Q125-L130 HydrophobicContact CB-CG 4.41Å; T126-L130 WeakPolarHBondContact O-CG 3.49Å; T126-L130 PolarHBondContact O-N 3.26Å; T126-L130 VanDerWaalsContact O-N 3.11Å; F127-L130 WeakPolarHBondContact O-CB 3.48Å; F127-L130 PolarHBondContact O-N 3.19Å; E128-L130 VanDerWaalsContact C-N 3.33Å; E128-L130 PolarHBondContact O-N 2.99Å; L130-T132 VanDerWaalsContact C-N 3.28Å; L130-T132 PolarHBondContact O-N 3.2Å; L130-K133 HydrophobicContact CD2-CD 4.37Å; L130-K133 WeakPolarHBondContact O-CB 3.45Å; L130-K133 PolarHBondContact O-N 2.72Å; L130-R226 WeakPolarHBondContact CD2-O 3.29Å; L130-R226 WeakPolarHBondContact O-CB 3.42Å; L130-R226 VanDerWaalsContact O-CG 3.3Å; L130-R226 WeakPolarHBondContact O-CG 3.47Å; L130-P228 HydrophobicContact CD2-CG 3.82Å; L130-L467 HydrophobicContact CD1-CD1 3.55Å; L130-L467 HydrophobicContact CD2-CD1 3.95Å; L130-L467 HydrophobicContact CG-CD1 4.43Å; L130-T470 HydrophobicContact CD1-CG2 3.49Å; L130-T470 VanDerWaalsContact CD1-CG2 3.49Å; L130-T470 HydrophobicContact CG-CG2 4.49Å; L130-Y471 HydrophobicContact CD1-CD2 4Å; L130-Y471 HydrophobicContact CD1-CE2 3.57Å
131L94.3Very high92Very high51 Ų5152.6 Ų52.627%0.26728%0.281SS..Hα-helixtrans-64.6-31.8178.8-67-175.4000113.1F127 E128 K133F127-L131 HydrophobicContact CD1-CD1 4.17Å; F127-L131 HydrophobicContact CD2-CG 4.48Å; F127-L131 HydrophobicContact CE1-CD1 3.62Å; F127-L131 HydrophobicContact CE1-CG 4.33Å; F127-L131 HydrophobicContact CE2-CD1 4.23Å; F127-L131 HydrophobicContact CE2-CD2 4.03Å; F127-L131 HydrophobicContact CE2-CG 4.1Å; F127-L131 HydrophobicContact CZ-CD1 3.65Å; F127-L131 HydrophobicContact CZ-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CG 4.02Å; F127-L131 WeakPolarHBondContact O-CG 3.23Å; F127-L131 PolarHBondContact O-N 3.31Å; E128-L131 PolarHBondContact O-N 3.28Å; L131-K133 VanDerWaalsContact C-N 3.34Å
132T94.7Very high91.7Very high116 Ų11656.6 Ų56.671%0.71231%0.308SS*.Hα-helixtrans-80.8-11.2-178.952.40000114E128 Q129 L130E128-T132 WeakPolarHBondContact O-CG2 3.32Å; E128-T132 PolarHBondContact O-N 2.92Å; E128-T132 VanDerWaalsContact O-N 3.08Å; E128-T132 PolarHBondContact O-OG1 2.87Å; E128-T132 VanDerWaalsContact O-OG1 3.1Å; Q129-T132 WeakPolarHBondContact CA-OG1 3.29Å; Q129-T132 PolarHBondContact O-N 2.65Å; Q129-T132 PolarHBondContact O-OG1 2.92Å; L130-T132 VanDerWaalsContact C-N 3.28Å; L130-T132 PolarHBondContact O-N 3.2Å
133K95Very high91.1Very high46 Ų4659.9 Ų59.920%0.232%0.32CS..Hα-helixtrans-59.1-49.8178.7-81.3178.8162.5-73.20112.9Q129 L130 L131 R160 R226 S231 E232Q129-K133 PolarHBondContact O-N 2.68Å; L130-K133 HydrophobicContact CD2-CD 4.37Å; L130-K133 WeakPolarHBondContact O-CB 3.45Å; L130-K133 PolarHBondContact O-N 2.72Å; L131-K133 VanDerWaalsContact C-N 3.34Å; K133-R160 WeakPolarHBondContact O-CD 3.44Å; K133-R226 VanDerWaalsContact CD-O 3.24Å; K133-R226 WeakPolarHBondContact CD-O 3.25Å; K133-S231 PolarHBondContact NZ-OG 2.69Å; K133-E232 IonicContact NZ-OE1 2.75Å
134D97.4Very high90Very high6 Ų666.2 Ų66.23%0.03235%0.346CS..  trans-161156.6172.1-156.9-3.7000110S158 Q159 R160 A225 R226D134-S158 VanDerWaalsContact CG-OG 3.29Å; D134-S158 PolarHBondContact OD1-OG 3.12Å; D134-S158 PolarHBondContact OD2-OG 2.98Å; D134-Q159 PolarHBondContact OD1-N 2.91Å; D134-R160 HydrophobicContact CB-CB 4.02Å; D134-R160 VanDerWaalsContact CG-CB 3.41Å; D134-R160 WeakPolarHBondContact OD1-CB 3.4Å; D134-R160 PolarHBondContact OD1-N 2.9Å; D134-A225 HydrophobicContact CB-CB 3.97Å; D134-R226 WeakPolarHBondContact O-CG 3.11Å; D134-R226 PolarHBondContact O-NE 3.14Å
135T97.7Very high88.5Confident35 Ų3571.4 Ų71.422%0.21536%0.355CS..  trans-130.6118.2165.1-69.50000107.2Q159 R226T135-Q159 WeakPolarHBondContact O-CB 3.48Å; T135-Q159 VanDerWaalsContact O-CG 3.32Å; T135-Q159 WeakPolarHBondContact O-CG 3.38Å; T135-Q159 PolarHBondContact O-N 2.92Å; T135-Q159 VanDerWaalsContact O-N 3.09Å; T135-R226 PolarHBondContact OG1-NH2 2.89Å
136V98.3Very high86.9Confident1 Ų172.5 Ų72.51%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-108.8122.2-175.5-177.10000109.1V156 T157 I221 N222 A225 L240V136-V156 HydrophobicContact CG1-CG1 3.51Å; V136-T157 CarbonylContact C-O 3.41Å; V136-T157 VanDerWaalsContact CA-O 3.31Å; V136-T157 WeakPolarHBondContact CA-O 3.13Å; V136-I221 HydrophobicContact CB-CG1 4.38Å; V136-I221 HydrophobicContact CB-CG2 3.9Å; V136-I221 HydrophobicContact CG1-CB 4.48Å; V136-I221 HydrophobicContact CG1-CG1 3.95Å; V136-I221 HydrophobicContact CG1-CG2 3.64Å; V136-I221 HydrophobicContact CG2-CG1 4.41Å; V136-N222 PolarHBondContact N-OD1 3.37Å; V136-N222 PolarHBondContact O-ND2 3.29Å; V136-A225 HydrophobicContact CG2-CB 3.86Å; V136-L240 HydrophobicContact CG1-CD2 4.09Å; V136-L240 HydrophobicContact CG2-CD1 4.41Å; V136-L240 HydrophobicContact CG2-CD2 4.25Å
137H97.9Very high85.2Confident83 Ų8375.1 Ų75.138%0.38439%0.391SS..EExtended strand (participates in β ladder)trans-94134.3175.8-64.3-65.4000110.1V156 T157 Q159H137-V156 CarbonylContact O-C 3.54Å; H137-V156 WeakPolarHBondContact O-CA 3.04Å; H137-T157 PolarHBondContact N-O 2.94Å; H137-T157 PolarHBondContact O-N 3.13Å; H137-Q159 PolarHBondContact NE2-NE2 3.21Å
138V97.6Very high83.3Confident3 Ų384.1 Ų84.12%0.01843%0.431CS..EExtended strand (participates in β ladder)trans-122.1112.3177.7-176.90000109Y154 Q155 V156 R214 L217 I221V138-Y154 HydrophobicContact CG1-CD1 4.18Å; V138-Y154 HydrophobicContact CG1-CG 4.33Å; V138-Q155 WeakPolarHBondContact CA-O 3.44Å; V138-V156 HydrophobicContact CG2-CG2 4.5Å; V138-R214 HydrophobicContact CG1-CG 4.12Å; V138-R214 WeakPolarHBondContact O-CD 3.49Å; V138-R214 WeakPolarHBondContact O-CG 3.36Å; V138-R214 PolarHBondContact O-NH1 3.31Å; V138-L217 HydrophobicContact CG1-CB 4.43Å; V138-I221 HydrophobicContact CG2-CG2 3.74Å
139E96Very high81.7Confident110 Ų11081.2 Ų81.251%0.51442%0.418SS..EExtended strand (participates in β ladder)trans-116.7146-177.1-64.9-178.1160.900110.8Y154 Q155E139-Y154 CarbonylContact O-C 3.6Å; E139-Y154 VanDerWaalsContact O-CA 3.24Å; E139-Y154 WeakPolarHBondContact O-CA 3.39Å; E139-Q155 PolarHBondContact N-O 3.19Å; E139-Q155 PolarHBondContact O-N 3.19Å
140L92.5Very high80.3Confident73 Ų7385.4 Ų85.438%0.38244%0.435SS..EExtended strand (participates in β ladder)trans-80.3127.2175.3-177.669.7000109.1P142 V152 Y154 I210L140-P142 WeakPolarHBondContact O-CD 3.37Å; L140-V152 HydrophobicContact CD1-CG1 3.33Å; L140-Y154 HydrophobicContact CD1-CD1 4.4Å; L140-Y154 HydrophobicContact CD1-CE1 4.08Å; L140-I210 HydrophobicContact CD1-CG2 3.59Å; L140-I210 HydrophobicContact CD2-CG2 3.74Å; L140-I210 HydrophobicContact CG-CG2 4.32Å
141I88.6Confident79.5Confident40 Ų4090 Ų9021%0.20546%0.456CS..PPolyproline II helixtrans-80.2120172.2-64.9-54.6000109.2E153 Q155 Y166I141-E153 PolarHBondContact N-O 3.42Å; I141-E153 VanDerWaalsContact N-O 3.14Å; I141-Q155 HydrophobicContact CD1-CB 3.72Å; I141-Q155 HydrophobicContact CG1-CB 4.17Å; I141-Y166 HydrophobicContact CD1-CE1 3.97Å; I141-Y166 HydrophobicContact CG1-CD1 4.09Å; I141-Y166 HydrophobicContact CG1-CE1 3.96Å
142P76.2Confident79.1Confident100 Ų10089.8 Ų89.865%0.64946%0.457SS*.PPolyproline II helixtrans-68137.2178.225.4-30.8000110.5L140 K144L140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-K144 PolarHBondContact O-N 3.03Å; P142-K144 VanDerWaalsContact O-N 3.11Å
143E68.5Low78.9Confident125 Ų12587.6 Ų87.658%0.58444%0.438SS*.  trans-60.2114.8171.7-66.4-177.8-179.700109.1K145 L149E143-K145 PolarHBondContact O-N 2.84Å; E143-L149 HydrophobicContact CG-CB 4.48Å; E143-L149 HydrophobicContact CG-CD1 4.37Å
144K58.1Low78.9Confident161 Ų16185.4 Ų85.470%0.743%0.429SS*.  trans-68.9132.9175.3-67.8-174-179.6178.90108.7P142 G146 L147P142-K144 PolarHBondContact O-N 3.03Å; P142-K144 VanDerWaalsContact O-N 3.11Å; K144-G146 PolarHBondContact O-N 3.13Å; K144-L147 PolarHBondContact O-N 2.9Å
145K45.8Very low78.9Confident218 Ų21887.2 Ų87.295%0.94844%0.437SS*.THydrogen-bonded Turntrans-48.9115.5173.8-73.4-174.6177.2-179.20109.6E143E143-K145 PolarHBondContact O-N 2.84Å
146G54.8Low78.9Confident74 Ų7485.6 Ų85.676%0.76343%0.427SS*.THydrogen-bonded Turntrans102.1-12.8178.800000116.3K144K144-G146 PolarHBondContact O-N 3.13Å
147L57.2Low79Confident117 Ų11787.1 Ų87.161%0.61344%0.436SS*.  trans-106.7105.9167.7-95.485.9000109.4K144 L149K144-L147 PolarHBondContact O-N 2.9Å; L147-L149 PolarHBondContact O-N 3Å; L147-L149 VanDerWaalsContact O-N 3.11Å
148F54.7Low79Confident199 Ų19983.2 Ų83.287%0.87342%0.418SS*.  trans-72.799.9167.8-67.5-82.7000109K150F148-K150 PolarHBondContact O-N 3.13Å
149L59.8Low79Confident50 Ų5088.2 Ų88.226%0.26244%0.442SS..  trans-71.1118.2168.7-70.3174.1000108.2E143 L147 H151E143-L149 HydrophobicContact CG-CB 4.48Å; E143-L149 HydrophobicContact CG-CD1 4.37Å; L147-L149 PolarHBondContact O-N 3Å; L147-L149 VanDerWaalsContact O-N 3.11Å; L149-H151 PolarHBondContact O-N 3.41Å; L149-H151 VanDerWaalsContact O-N 3.17Å
150K66.4Low79Confident186 Ų18687.4 Ų87.481%0.80943%0.434SS*.SBendtrans-62.5-22.1178.2-169177.9179.3178.70112.3F148F148-K150 PolarHBondContact O-N 3.13Å
151H76.9Confident79.2Confident97 Ų9786.4 Ų86.445%0.44943%0.426SS..SBendtrans-141.7148.6-176.9-57.6-61.7000110.7L149 E153L149-H151 PolarHBondContact O-N 3.41Å; L149-H151 VanDerWaalsContact O-N 3.17Å; H151-E153 PolarHBondContact O-N 2.96Å
152V86.2Confident79.6Confident45 Ų4593.4 Ų93.427%0.27346%0.455SS..  trans-65.5125.4170.7179.20000109.8L140 Y154 I210L140-V152 HydrophobicContact CD1-CG1 3.33Å; V152-Y154 HydrophobicContact CG1-CE1 4Å; V152-Y154 HydrophobicContact CG1-CE2 4.13Å; V152-I210 HydrophobicContact CG1-CG2 4.27Å; V152-I210 HydrophobicContact CG2-CD1 4.15Å; V152-I210 HydrophobicContact CG2-CG1 4.42Å
153E91.5Very high80.5Confident70 Ų7092.1 Ų92.133%0.32744%0.441SS..EExtended strand (participates in β ladder)trans-109.3146.4175.4-70.1-172.3153.300111.4I141 H151I141-E153 PolarHBondContact N-O 3.42Å; I141-E153 VanDerWaalsContact N-O 3.14Å; H151-E153 PolarHBondContact O-N 2.96Å
154Y95.3Very high81.9Confident0 Ų088.8 Ų88.80%043%0.431CS..EExtended strand (participates in β ladder)trans-120.1135.3-179.9-54.5-80.3000109.5V138 E139 L140 V152 Y166 R167 F172 R213 R214 L217V138-Y154 HydrophobicContact CG1-CD1 4.18Å; V138-Y154 HydrophobicContact CG1-CG 4.33Å; E139-Y154 CarbonylContact O-C 3.6Å; E139-Y154 VanDerWaalsContact O-CA 3.24Å; E139-Y154 WeakPolarHBondContact O-CA 3.39Å; L140-Y154 HydrophobicContact CD1-CD1 4.4Å; L140-Y154 HydrophobicContact CD1-CE1 4.08Å; V152-Y154 HydrophobicContact CG1-CE1 4Å; V152-Y154 HydrophobicContact CG1-CE2 4.13Å; Y154-Y166 WeakPolarHBondContact O-CA 3.48Å; Y154-R167 WeakPolarHBondContact CA-O 3.31Å; Y154-R167 WeakPolarHBondContact CB-O 3.4Å; Y154-R167 WeakPolarHBondContact CD2-O 3.34Å; Y154-R167 PolarHBondContact N-O 3.21Å; Y154-R167 PolarHBondContact O-N 3.46Å; Y154-F172 HydrophobicContact CD2-CE2 4.4Å; Y154-R213 WeakPolarHBondContact OH-CD 3.35Å; Y154-R214 HydrophobicContact CD1-CG 4.25Å; Y154-R214 HydrophobicContact CE1-CB 4.08Å; Y154-R214 HydrophobicContact CE1-CG 4.32Å; Y154-L217 HydrophobicContact CD1-CD1 4.43Å; Y154-L217 HydrophobicContact CD2-CD1 3.88Å; Y154-L217 HydrophobicContact CE1-CD1 4.15Å; Y154-L217 HydrophobicContact CE2-CD1 3.56Å; Y154-L217 HydrophobicContact CG-CD1 4.31Å
155Q97.1Very high83.8Confident45 Ų4581.2 Ų81.221%0.2140%0.398CS..EExtended strand (participates in β ladder)trans-86.2120.3165.1-179.6173.30.700108.5V138 E139 I141 S164 Y166V138-Q155 WeakPolarHBondContact CA-O 3.44Å; E139-Q155 PolarHBondContact N-O 3.19Å; E139-Q155 PolarHBondContact O-N 3.19Å; I141-Q155 HydrophobicContact CD1-CB 3.72Å; I141-Q155 HydrophobicContact CG1-CB 4.17Å; Q155-S164 PolarHBondContact NE2-OG 3.38Å; Q155-Y166 HydrophobicContact CB-CD1 4.5Å; Q155-Y166 HydrophobicContact CB-CE1 4.36Å
156V98.2Very high86.1Confident0 Ų077.2 Ų77.20%038%0.378CS..EExtended strand (participates in β ladder)trans-109.9115179.6-176.30000107.8V136 H137 V138 S164 V165 R167 F172 L240V136-V156 HydrophobicContact CG1-CG1 3.51Å; H137-V156 CarbonylContact O-C 3.54Å; H137-V156 WeakPolarHBondContact O-CA 3.04Å; V138-V156 HydrophobicContact CG2-CG2 4.5Å; V156-S164 WeakPolarHBondContact O-CA 3.17Å; V156-V165 HydrophobicContact CB-CG2 4.14Å; V156-V165 PolarHBondContact N-O 2.96Å; V156-V165 PolarHBondContact O-N 3.39Å; V156-R167 HydrophobicContact CB-CG 4.49Å; V156-R167 HydrophobicContact CG2-CB 3.99Å; V156-R167 HydrophobicContact CG2-CG 3.88Å; V156-F172 HydrophobicContact CG2-CE2 4.2Å; V156-F172 HydrophobicContact CG2-CZ 3.72Å; V156-L240 HydrophobicContact CG1-CD2 3.88Å
157T98.5Very high88.1Confident33 Ų3374 Ų7420%0.20234%0.343CS..EExtended strand (participates in β ladder)trans-117.5114.5-175.4-58.40000110.2V136 H137 M163 S164V136-T157 CarbonylContact C-O 3.41Å; V136-T157 VanDerWaalsContact CA-O 3.31Å; V136-T157 WeakPolarHBondContact CA-O 3.13Å; H137-T157 PolarHBondContact N-O 2.94Å; H137-T157 PolarHBondContact O-N 3.13Å; T157-M163 WeakPolarHBondContact CA-O 3.48Å; T157-S164 WeakPolarHBondContact CG2-OG 3.42Å; T157-S164 PolarHBondContact OG1-OG 2.82Å
158S98.2Very high89.8Confident1 Ų172.4 Ų72.41%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-90.7129174.1164.60000110.5D134 R160 Y161 K162 M163D134-S158 VanDerWaalsContact CG-OG 3.29Å; D134-S158 PolarHBondContact OD1-OG 3.12Å; D134-S158 PolarHBondContact OD2-OG 2.98Å; S158-R160 PolarHBondContact OG-N 2.99Å; S158-Y161 VanDerWaalsContact OG-CD2 3.25Å; S158-Y161 WeakPolarHBondContact OG-CD2 3.48Å; S158-Y161 PolarHBondContact OG-N 2.76Å; S158-Y161 VanDerWaalsContact OG-N 3.13Å; S158-K162 WeakPolarHBondContact O-CA 3.25Å; S158-K162 PolarHBondContact O-N 2.92Å; S158-M163 PolarHBondContact N-O 2.92Å; S158-M163 PolarHBondContact O-N 2.88Å
159Q97.3Very high91.7Very high108 Ų10864.3 Ų64.351%0.50529%0.293SS..THydrogen-bonded Turntrans-72.7-37.9173.9-73.4-174.9-3.700112D134 T135 H137 Y161 K162D134-Q159 PolarHBondContact OD1-N 2.91Å; T135-Q159 WeakPolarHBondContact O-CB 3.48Å; T135-Q159 VanDerWaalsContact O-CG 3.32Å; T135-Q159 WeakPolarHBondContact O-CG 3.38Å; T135-Q159 PolarHBondContact O-N 2.92Å; T135-Q159 VanDerWaalsContact O-N 3.09Å; H137-Q159 PolarHBondContact NE2-NE2 3.21Å; Q159-Y161 PolarHBondContact O-N 2.87Å; Q159-K162 WeakPolarHBondContact O-CG 3.4Å; Q159-K162 PolarHBondContact O-N 2.76Å
160R96.4Very high93.4Very high94 Ų9463.8 Ų63.836%0.35529%0.293SS..THydrogen-bonded Turntrans-58.2-47.7176.5178.9-178.5176160.4-0.9111.5K133 D134 S158 S231 E232K133-R160 WeakPolarHBondContact O-CD 3.44Å; D134-R160 HydrophobicContact CB-CB 4.02Å; D134-R160 VanDerWaalsContact CG-CB 3.41Å; D134-R160 WeakPolarHBondContact OD1-CB 3.4Å; D134-R160 PolarHBondContact OD1-N 2.9Å; S158-R160 PolarHBondContact OG-N 2.99Å; R160-S231 PolarHBondContact NH1-O 2.78Å; R160-S231 VanDerWaalsContact NH1-O 3.13Å; R160-E232 IonicContact CZ-OE1 3.16Å; R160-E232 IonicContact CZ-OE2 3.84Å; R160-E232 IonicContact NH1-OE1 3.41Å; R160-E232 PolarHBondContact NH1-OE1 2.84Å; R160-E232 IonicContact NH1-OE2 2.89Å; R160-E232 VanDerWaalsContact NH2-CD 3.31Å; R160-E232 IonicContact NH2-OE1 2.79Å; R160-E232 PolarHBondContact NH2-OE1 3.07Å; R160-E232 IonicContact NH2-OE2 2.79Å; R160-E232 PolarHBondContact NH2-OE2 3.07Å
161Y96.7Very high94.8Very high52 Ų5255.6 Ų55.620%0.20426%0.258CS..THydrogen-bonded Turntrans-88.5-13.8-177.2-62.1-63.8000113.6S158 Q159 M163 K237 L240 T241S158-Y161 VanDerWaalsContact OG-CD2 3.25Å; S158-Y161 WeakPolarHBondContact OG-CD2 3.48Å; S158-Y161 PolarHBondContact OG-N 2.76Å; S158-Y161 VanDerWaalsContact OG-N 3.13Å; Q159-Y161 PolarHBondContact O-N 2.87Å; Y161-M163 WeakPolarHBondContact O-CG 3.35Å; Y161-M163 PolarHBondContact O-N 3.45Å; Y161-K237 HydrophobicContact CE1-CD 4.35Å; Y161-K237 HydrophobicContact CE1-CG 3.98Å; Y161-L240 HydrophobicContact CD2-CB 3.99Å; Y161-L240 HydrophobicContact CD2-CD1 4.09Å; Y161-L240 HydrophobicContact CE2-CB 4.29Å; Y161-L240 HydrophobicContact CE2-CD1 3.89Å; Y161-T241 HydrophobicContact CD1-CG2 3.98Å; Y161-T241 HydrophobicContact CD2-CG2 4Å; Y161-T241 HydrophobicContact CG-CG2 3.64Å
162K96.9Very high95.8Very high187 Ų18751 Ų5181%0.81324%0.237SC*.THydrogen-bonded Turntrans54.338.2-175-53.5179.7-178.1178.60112.2S158 Q159S158-K162 WeakPolarHBondContact O-CA 3.25Å; S158-K162 PolarHBondContact O-N 2.92Å; Q159-K162 WeakPolarHBondContact O-CG 3.4Å; Q159-K162 PolarHBondContact O-N 2.76Å
163M96.8Very high96.3Very high73 Ų7350.2 Ų50.236%0.3623%0.231SC..EExtended strand (participates in β ladder)trans-127.3145.5-178.1-68.9-173.277.100110.5T157 S158 Y161 T241T157-M163 WeakPolarHBondContact CA-O 3.48Å; S158-M163 PolarHBondContact N-O 2.92Å; S158-M163 PolarHBondContact O-N 2.88Å; Y161-M163 WeakPolarHBondContact O-CG 3.35Å; Y161-M163 PolarHBondContact O-N 3.45Å; M163-T241 WeakPolarHBondContact CE-O 3.48Å; M163-T241 HydrophobicContact SD-CG2 3.74Å
164S97.4Very high96.6Very high55 Ų5547.1 Ų47.139%0.38522%0.217SC..EExtended strand (participates in β ladder)trans-115132.5169.6-620000109.4Q155 V156 T157Q155-S164 PolarHBondContact NE2-OG 3.38Å; V156-S164 WeakPolarHBondContact O-CA 3.17Å; T157-S164 WeakPolarHBondContact CG2-OG 3.42Å; T157-S164 PolarHBondContact OG1-OG 2.82Å
165V97.1Very high96.8Very high1 Ų147.1 Ų47.11%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-129.8151.8176.7-650000110.3V156 R167 L240V156-V165 HydrophobicContact CB-CG2 4.14Å; V156-V165 PolarHBondContact N-O 2.96Å; V156-V165 PolarHBondContact O-N 3.39Å; V165-R167 HydrophobicContact CG2-CG 4.29Å; V165-L240 WeakPolarHBondContact CG1-O 3.45Å
166Y95.4Very high96.8Very high135 Ų13546.6 Ų46.653%0.52922%0.215SC..EExtended strand (participates in β ladder)trans-92131.9175-60.6-77.7000110.1I141 Y154 Q155I141-Y166 HydrophobicContact CD1-CE1 3.97Å; I141-Y166 HydrophobicContact CG1-CD1 4.09Å; I141-Y166 HydrophobicContact CG1-CE1 3.96Å; Y154-Y166 WeakPolarHBondContact O-CA 3.48Å; Q155-Y166 HydrophobicContact CB-CD1 4.5Å; Q155-Y166 HydrophobicContact CB-CE1 4.36Å
167R95.8Very high96.8Very high5 Ų550.4 Ų50.42%0.01923%0.233CC..EExtended strand (participates in β ladder)trans-137142.1179.2-62.8-65.1177.1-108.74.2110Y154 V156 V165 D171 F172 F239 Y242Y154-R167 WeakPolarHBondContact CA-O 3.31Å; Y154-R167 WeakPolarHBondContact CB-O 3.4Å; Y154-R167 WeakPolarHBondContact CD2-O 3.34Å; Y154-R167 PolarHBondContact N-O 3.21Å; Y154-R167 PolarHBondContact O-N 3.46Å; V156-R167 HydrophobicContact CB-CG 4.49Å; V156-R167 HydrophobicContact CG2-CB 3.99Å; V156-R167 HydrophobicContact CG2-CG 3.88Å; V165-R167 HydrophobicContact CG2-CG 4.29Å; R167-D171 WeakPolarHBondContact CA-OD2 3.39Å; R167-F172 HydrophobicContact CB-CD2 4.22Å; R167-F172 HydrophobicContact CB-CE2 3.65Å; R167-F172 HydrophobicContact CB-CZ 4.39Å; R167-F172 HydrophobicContact CG-CE2 4.45Å; R167-F239 HydrophobicContact CB-CZ 4.41Å; R167-F239 HydrophobicContact CG-CE1 4.39Å; R167-F239 HydrophobicContact CG-CE2 4.16Å; R167-F239 HydrophobicContact CG-CZ 3.84Å; R167-F239 VanDerWaalsContact CZ-O 3.29Å; R167-F239 PolarHBondContact NE-O 3.12Å; R167-F239 PolarHBondContact NH2-O 3.36Å; R167-Y242 PolarHBondContact NH1-O 2.94Å; R167-Y242 VanDerWaalsContact NH1-O 3.08Å; R167-Y242 PolarHBondContact NH2-O 2.88Å
168R94.2Very high96.7Very high84 Ų8448.9 Ų48.932%0.31722%0.223SC..EExtended strand (participates in β ladder)trans-101.6164.3166.752.8176.7-174.3178.59.9110.2S170 D171 F172R168-S170 WeakPolarHBondContact CD-OG 3.48Å; R168-S170 WeakPolarHBondContact CG-OG 3.47Å; R168-S170 PolarHBondContact NE-OG 2.97Å; R168-S170 PolarHBondContact O-N 2.97Å; R168-S170 VanDerWaalsContact O-N 3.15Å; R168-D171 HydrophobicContact CG-CB 4.43Å; R168-D171 VanDerWaalsContact CG-CG 3.43Å; R168-D171 WeakPolarHBondContact CG-OD1 3.2Å; R168-D171 WeakPolarHBondContact CG-OD2 3.41Å; R168-D171 PolarHBondContact N-OD2 2.86Å; R168-D171 IonicContact NE-OD1 3.89Å; R168-D171 PolarHBondContact NE-OD1 3.19Å; R168-D171 VanDerWaalsContact NE-OD1 3.16Å; R168-D171 IonicContact NH2-OD1 3.82Å; R168-D171 WeakPolarHBondContact O-CB 3.33Å; R168-D171 PolarHBondContact O-N 3.32Å; R168-F172 WeakPolarHBondContact O-CD2 3.48Å; R168-F172 PolarHBondContact O-N 3.44Å
169Y93.9Very high96.7Very high29 Ų2948.8 Ų48.811%0.11422%0.223CC..Hα-helixtrans-52.3-39.6178.3175.5-85.4000112.8D171 F172 D173 P192 K194 R213 L217Y169-D171 PolarHBondContact O-N 3.44Å; Y169-F172 WeakPolarHBondContact O-CB 3.49Å; Y169-F172 PolarHBondContact O-N 3.47Å; Y169-D173 HydrophobicContact CE1-CB 4.33Å; Y169-D173 PolarHBondContact O-N 3.41Å; Y169-P192 HydrophobicContact CE2-CG 4.17Å; Y169-P192 WeakPolarHBondContact CE2-O 3.4Å; Y169-P192 PolarHBondContact OH-O 2.8Å; Y169-K194 HydrophobicContact CE1-CD 4.39Å; Y169-K194 HydrophobicContact CE1-CG 3.64Å; Y169-R213 HydrophobicContact CD2-CG 4.29Å; Y169-L217 HydrophobicContact CD2-CD2 4.39Å
170S94.3Very high96.7Very high40 Ų4046.2 Ų46.228%0.2821%0.212SC..Hα-helixtrans-68.6-21.2178.752.90000113.7R168 D173 V174 Q248R168-S170 WeakPolarHBondContact CD-OG 3.48Å; R168-S170 WeakPolarHBondContact CG-OG 3.47Å; R168-S170 PolarHBondContact NE-OG 2.97Å; R168-S170 PolarHBondContact O-N 2.97Å; R168-S170 VanDerWaalsContact O-N 3.15Å; S170-D173 WeakPolarHBondContact O-CB 3.46Å; S170-D173 PolarHBondContact O-N 3.32Å; S170-V174 WeakPolarHBondContact O-CG2 3.3Å; S170-V174 PolarHBondContact O-N 3.35Å; S170-V174 VanDerWaalsContact O-N 3.15Å; S170-Q248 PolarHBondContact O-NE2 2.91Å
171D96.8Very high96.7Very high13 Ų1347.1 Ų47.17%0.0722%0.22CC..Hα-helixtrans-72.6-39.1171.8-53.6-27.3000110.7R167 R168 Y169 D173 V174 F175 F239 V247 Q248R167-D171 WeakPolarHBondContact CA-OD2 3.39Å; R168-D171 HydrophobicContact CG-CB 4.43Å; R168-D171 VanDerWaalsContact CG-CG 3.43Å; R168-D171 WeakPolarHBondContact CG-OD1 3.2Å; R168-D171 WeakPolarHBondContact CG-OD2 3.41Å; R168-D171 PolarHBondContact N-OD2 2.86Å; R168-D171 IonicContact NE-OD1 3.89Å; R168-D171 PolarHBondContact NE-OD1 3.19Å; R168-D171 VanDerWaalsContact NE-OD1 3.16Å; R168-D171 IonicContact NH2-OD1 3.82Å; R168-D171 WeakPolarHBondContact O-CB 3.33Å; R168-D171 PolarHBondContact O-N 3.32Å; Y169-D171 PolarHBondContact O-N 3.44Å; D171-D173 VanDerWaalsContact C-N 3.32Å; D171-V174 PolarHBondContact O-N 3.44Å; D171-F175 VanDerWaalsContact O-CB 3.31Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.42Å; D171-F239 HydrophobicContact CB-CE2 4.34Å; D171-V247 HydrophobicContact CB-CG1 4.22Å; D171-Q248 PolarHBondContact OD1-NE2 2.84Å
172F97.8Very high96.7Very high0 Ų045.1 Ų45.10%021%0.212CC..Hα-helixtrans-61.8-41171.2-75.2-92.2000111.4Y154 V156 R167 R168 Y169 F175 H176 L191 L217 F220 I221 F239Y154-F172 HydrophobicContact CD2-CE2 4.4Å; V156-F172 HydrophobicContact CG2-CE2 4.2Å; V156-F172 HydrophobicContact CG2-CZ 3.72Å; R167-F172 HydrophobicContact CB-CD2 4.22Å; R167-F172 HydrophobicContact CB-CE2 3.65Å; R167-F172 HydrophobicContact CB-CZ 4.39Å; R167-F172 HydrophobicContact CG-CE2 4.45Å; R168-F172 WeakPolarHBondContact O-CD2 3.48Å; R168-F172 PolarHBondContact O-N 3.44Å; Y169-F172 WeakPolarHBondContact O-CB 3.49Å; Y169-F172 PolarHBondContact O-N 3.47Å; F172-F175 PolarHBondContact O-N 3.11Å; F172-H176 WeakPolarHBondContact O-CB 3.19Å; F172-H176 PolarHBondContact O-N 2.9Å; F172-L191 HydrophobicContact CB-CD1 4.39Å; F172-L191 HydrophobicContact CB-CD2 4.1Å; F172-L217 HydrophobicContact CB-CD2 4.04Å; F172-L217 HydrophobicContact CD1-CD2 3.85Å; F172-L217 HydrophobicContact CD2-CD1 4.2Å; F172-L217 HydrophobicContact CD2-CD2 4.13Å; F172-L217 HydrophobicContact CE1-CB 4.43Å; F172-L217 HydrophobicContact CE1-CD2 4.28Å; F172-L217 HydrophobicContact CE2-CD1 4.14Å; F172-L217 HydrophobicContact CG-CD2 3.76Å; F172-L217 HydrophobicContact CZ-CB 4.44Å; F172-F220 AromaticContact CD1-CD1 4Å; F172-F220 HydrophobicContact CD1-CD1 4Å; F172-F220 HydrophobicContact CD1-CE1 4.01Å; F172-F220 HydrophobicContact CE1-CD1 4.37Å; F172-I221 HydrophobicContact CE1-CB 4.36Å; F172-F239 HydrophobicContact CD1-CE1 4.12Å; F172-F239 AromaticContact CD1-CZ 3.65Å; F172-F239 HydrophobicContact CD1-CZ 3.65Å; F172-F239 HydrophobicContact CD2-CZ 4.09Å; F172-F239 AromaticContact CE1-CE1 3.77Å; F172-F239 HydrophobicContact CE1-CE1 3.77Å; F172-F239 AromaticContact CE1-CZ 3.65Å; F172-F239 HydrophobicContact CE1-CZ 3.65Å; F172-F239 HydrophobicContact CE2-CZ 4.09Å; F172-F239 AromaticContact CG-CZ 3.89Å; F172-F239 HydrophobicContact CG-CZ 3.89Å; F172-F239 HydrophobicContact CZ-CE1 4.13Å; F172-F239 AromaticContact CZ-CZ 3.87Å; F172-F239 HydrophobicContact CZ-CZ 3.87Å
173D96.9Very high96.7Very high29 Ų2936.7 Ų36.716%0.15518%0.176CC..Hα-helixtrans-57.1-50.6176.5-16262.8000111.3Y169 S170 D171 F175 H176 E177 L191 K194Y169-D173 HydrophobicContact CE1-CB 4.33Å; Y169-D173 PolarHBondContact O-N 3.41Å; S170-D173 WeakPolarHBondContact O-CB 3.46Å; S170-D173 PolarHBondContact O-N 3.32Å; D171-D173 VanDerWaalsContact C-N 3.32Å; D173-F175 VanDerWaalsContact C-N 3.35Å; D173-F175 PolarHBondContact O-N 2.97Å; D173-H176 PolarHBondContact O-N 3.15Å; D173-E177 WeakPolarHBondContact O-CG 3.4Å; D173-E177 PolarHBondContact O-N 2.98Å; D173-L191 HydrophobicContact CB-CD1 4.4Å; D173-K194 VanDerWaalsContact CG-CE 3.44Å; D173-K194 VanDerWaalsContact CG-NZ 3.32Å; D173-K194 WeakPolarHBondContact OD1-CE 3.48Å; D173-K194 IonicContact OD1-NZ 3.99Å; D173-K194 PolarHBondContact OD1-NZ 3.3Å; D173-K194 VanDerWaalsContact OD2-CE 3.25Å; D173-K194 WeakPolarHBondContact OD2-CE 3.39Å; D173-K194 IonicContact OD2-NZ 3.7Å; D173-K194 PolarHBondContact OD2-NZ 3.48Å
174V97.8Very high96.6Very high5 Ų534.8 Ų34.83%0.0317%0.172CC..Hα-helixtrans-63.3-40.5175175.60000112S170 D171 E177 V178 Q248 R252S170-V174 WeakPolarHBondContact O-CG2 3.3Å; S170-V174 PolarHBondContact O-N 3.35Å; S170-V174 VanDerWaalsContact O-N 3.15Å; D171-V174 PolarHBondContact O-N 3.44Å; V174-E177 WeakPolarHBondContact O-CB 3.37Å; V174-E177 PolarHBondContact O-N 3.03Å; V174-V178 WeakPolarHBondContact O-CG2 3.06Å; V174-V178 PolarHBondContact O-N 3.02Å; V174-Q248 HydrophobicContact CB-CB 4.35Å; V174-Q248 HydrophobicContact CB-CG 4.1Å; V174-Q248 HydrophobicContact CG1-CB 4.05Å; V174-Q248 HydrophobicContact CG1-CG 4.34Å; V174-Q248 HydrophobicContact CG2-CB 4.16Å; V174-Q248 HydrophobicContact CG2-CG 3.86Å; V174-R252 HydrophobicContact CG1-CG 4.07Å
175F98.4Very high96.6Very high0 Ų033.1 Ų33.10%016%0.157CC..Hα-helixtrans-62.6-43.7178.5178-125.9000112D171 F172 D173 V178 L179 F220 I221 V224 L235 V236 F239 L251D171-F175 VanDerWaalsContact O-CB 3.31Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.42Å; F172-F175 PolarHBondContact O-N 3.11Å; D173-F175 VanDerWaalsContact C-N 3.35Å; D173-F175 PolarHBondContact O-N 2.97Å; F175-V178 HydrophobicContact CD2-CG2 4.35Å; F175-V178 WeakPolarHBondContact O-CG2 3.32Å; F175-V178 PolarHBondContact O-N 3.39Å; F175-L179 HydrophobicContact CD1-CD1 4.06Å; F175-L179 HydrophobicContact CD2-CD1 4.39Å; F175-L179 HydrophobicContact CD2-CG 4.32Å; F175-L179 HydrophobicContact CE1-CD1 3.68Å; F175-L179 HydrophobicContact CE2-CD1 4.05Å; F175-L179 HydrophobicContact CE2-CD2 4.25Å; F175-L179 HydrophobicContact CE2-CG 4.02Å; F175-L179 HydrophobicContact CG-CD1 4.41Å; F175-L179 HydrophobicContact CZ-CD1 3.69Å; F175-L179 HydrophobicContact CZ-CD2 4.34Å; F175-L179 HydrophobicContact CZ-CG 4.15Å; F175-L179 WeakPolarHBondContact O-CB 3.26Å; F175-L179 WeakPolarHBondContact O-CG 3.25Å; F175-L179 PolarHBondContact O-N 3.41Å; F175-F220 AromaticContact CD1-CE1 3.91Å; F175-F220 HydrophobicContact CD1-CE1 3.91Å; F175-F220 HydrophobicContact CD1-CZ 4.13Å; F175-F220 HydrophobicContact CE1-CE1 4.05Å; F175-F220 HydrophobicContact CE1-CZ 4.3Å; F175-I221 HydrophobicContact CE1-CD1 3.82Å; F175-V224 HydrophobicContact CE1-CG1 4.12Å; F175-V224 HydrophobicContact CZ-CG1 4Å; F175-L235 HydrophobicContact CE2-CB 4.43Å; F175-V236 HydrophobicContact CE2-CG2 4.4Å; F175-V236 HydrophobicContact CZ-CB 4.38Å; F175-V236 HydrophobicContact CZ-CG2 3.99Å; F175-F239 HydrophobicContact CB-CD2 3.7Å; F175-F239 HydrophobicContact CB-CE2 3.77Å; F175-F239 HydrophobicContact CB-CG 4.4Å; F175-F239 HydrophobicContact CD1-CB 4.5Å; F175-F239 AromaticContact CD1-CD1 3.93Å; F175-F239 HydrophobicContact CD1-CD1 3.93Å; F175-F239 AromaticContact CD1-CD2 3.95Å; F175-F239 HydrophobicContact CD1-CD2 3.95Å; F175-F239 HydrophobicContact CD1-CE1 4.1Å; F175-F239 HydrophobicContact CD1-CE2 4.11Å; F175-F239 AromaticContact CD1-CG 3.85Å; F175-F239 HydrophobicContact CD1-CG 3.85Å; F175-F239 HydrophobicContact CD1-CZ 4.19Å; F175-F239 HydrophobicContact CD2-CB 3.84Å; F175-F239 AromaticContact CD2-CD2 3.98Å; F175-F239 HydrophobicContact CD2-CD2 3.98Å; F175-F239 AromaticContact CD2-CG 3.94Å; F175-F239 HydrophobicContact CD2-CG 3.94Å; F175-F239 HydrophobicContact CE1-CB 4.37Å; F175-F239 AromaticContact CE1-CD1 3.88Å; F175-F239 HydrophobicContact CE1-CD1 3.88Å; F175-F239 HydrophobicContact CE1-CE1 4.32Å; F175-F239 HydrophobicContact CE1-CG 4.01Å; F175-F239 HydrophobicContact CE2-CB 3.7Å; F175-F239 HydrophobicContact CE2-CG 4.1Å; F175-F239 HydrophobicContact CG-CB 4.24Å; F175-F239 HydrophobicContact CG-CD1 4.36Å; F175-F239 AromaticContact CG-CD2 3.61Å; F175-F239 HydrophobicContact CG-CD2 3.61Å; F175-F239 HydrophobicContact CG-CE2 4Å; F175-F239 AromaticContact CG-CG 3.8Å; F175-F239 HydrophobicContact CG-CG 3.8Å; F175-F239 HydrophobicContact CZ-CB 3.96Å; F175-F239 HydrophobicContact CZ-CD1 4.26Å; F175-F239 HydrophobicContact CZ-CG 4.12Å; F175-L251 HydrophobicContact CB-CD1 4.06Å; F175-L251 HydrophobicContact CD2-CD1 4.19Å; F175-L251 HydrophobicContact CD2-CD2 4.19Å
176H98.2Very high96.6Very high35 Ų3533.1 Ų33.116%0.16216%0.157CC..Hα-helixtrans-63.6-41.9174.6174.3-103.1000112.1F172 D173 V178 L179 L180 P189 L191 F220F172-H176 WeakPolarHBondContact O-CB 3.19Å; F172-H176 PolarHBondContact O-N 2.9Å; D173-H176 PolarHBondContact O-N 3.15Å; H176-V178 PolarHBondContact O-N 2.98Å; H176-L179 PolarHBondContact O-N 3.15Å; H176-L180 WeakPolarHBondContact CE1-CD1 3.22Å; H176-L180 PolarHBondContact O-N 3.34Å; H176-P189 PolarHBondContact CD2-O 2.92Å; H176-P189 PolarHBondContact NE2-O 3.06Å; H176-L191 HydrophobicContact CB-CD1 3.53Å; H176-L191 HydrophobicContact CB-CG 3.9Å; H176-F220 HydrophobicContact CB-CE2 4.4Å; H176-F220 HydrophobicContact CB-CZ 4.23Å; H176-F220 AromaticContact CD2-CE2 3.87Å
177E97.4Very high96.7Very high80 Ų8026.9 Ų26.937%0.37413%0.133SC..Hα-helixtrans-56.5-49.2173.7-74.6175.1176.900112D173 V174 L179 L180 Q181 R252D173-E177 WeakPolarHBondContact O-CG 3.4Å; D173-E177 PolarHBondContact O-N 2.98Å; V174-E177 WeakPolarHBondContact O-CB 3.37Å; V174-E177 PolarHBondContact O-N 3.03Å; E177-L179 VanDerWaalsContact C-N 3.35Å; E177-L180 PolarHBondContact O-N 2.99Å; E177-Q181 WeakPolarHBondContact O-CB 3.48Å; E177-Q181 PolarHBondContact O-N 3.5Å; E177-R252 IonicContact OE2-CZ 2.6Å; E177-R252 IonicContact OE2-NH1 3.27Å; E177-R252 PolarHBondContact OE2-NH1 3.14Å; E177-R252 IonicContact OE2-NH2 2.91Å; E177-R252 PolarHBondContact OE2-NH2 3.03Å
178V97.8Very high96.8Very high0 Ų026.7 Ų26.70%013%0.133CC..Hα-helixtrans-71.3-30-179-60.10000112.5V174 F175 H176 Q181 K182 L235 L251 R252 C255V174-V178 WeakPolarHBondContact O-CG2 3.06Å; V174-V178 PolarHBondContact O-N 3.02Å; F175-V178 HydrophobicContact CD2-CG2 4.35Å; F175-V178 WeakPolarHBondContact O-CG2 3.32Å; F175-V178 PolarHBondContact O-N 3.39Å; H176-V178 PolarHBondContact O-N 2.98Å; V178-Q181 PolarHBondContact O-N 3.17Å; V178-K182 WeakPolarHBondContact O-CB 3.47Å; V178-K182 PolarHBondContact O-N 3.32Å; V178-L235 HydrophobicContact CG2-CD1 4.23Å; V178-L235 HydrophobicContact CG2-CD2 4.48Å; V178-L251 HydrophobicContact CG2-CB 4.24Å; V178-R252 HydrophobicContact CG1-CG 4.09Å; V178-C255 HydrophobicContact CB-CB 4.08Å; V178-C255 HydrophobicContact CG1-CB 4.23Å
179L97.8Very high96.9Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-63.4-47.5171.5-78.3173000111F175 H176 E177 Q181 K182 F183 V188 F220 V224 V236F175-L179 HydrophobicContact CD1-CD1 4.06Å; F175-L179 HydrophobicContact CD2-CD1 4.39Å; F175-L179 HydrophobicContact CD2-CG 4.32Å; F175-L179 HydrophobicContact CE1-CD1 3.68Å; F175-L179 HydrophobicContact CE2-CD1 4.05Å; F175-L179 HydrophobicContact CE2-CD2 4.25Å; F175-L179 HydrophobicContact CE2-CG 4.02Å; F175-L179 HydrophobicContact CG-CD1 4.41Å; F175-L179 HydrophobicContact CZ-CD1 3.69Å; F175-L179 HydrophobicContact CZ-CD2 4.34Å; F175-L179 HydrophobicContact CZ-CG 4.15Å; F175-L179 WeakPolarHBondContact O-CB 3.26Å; F175-L179 WeakPolarHBondContact O-CG 3.25Å; F175-L179 PolarHBondContact O-N 3.41Å; H176-L179 PolarHBondContact O-N 3.15Å; E177-L179 VanDerWaalsContact C-N 3.35Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.04Å; L179-K182 PolarHBondContact O-N 3.48Å; L179-F183 HydrophobicContact CD2-CD2 3.96Å; L179-F183 HydrophobicContact CD2-CE2 4.11Å; L179-F183 WeakPolarHBondContact O-CA 3.5Å; L179-F183 WeakPolarHBondContact O-CB 3.49Å; L179-F183 PolarHBondContact O-N 2.96Å; L179-V188 HydrophobicContact CB-CG1 4.03Å; L179-F220 HydrophobicContact CD1-CZ 4.18Å; L179-V224 HydrophobicContact CD1-CG1 4.03Å; L179-V224 HydrophobicContact CD1-CG2 4.03Å; L179-V236 HydrophobicContact CD2-CG2 4.42Å
180L96.8Very high97Very high53 Ų5324 Ų2428%0.27713%0.134SC..Hα-helixtrans-63.6-36.4176.4-77.4174.7000112.5H176 E177 A184 V188H176-L180 WeakPolarHBondContact CE1-CD1 3.22Å; H176-L180 PolarHBondContact O-N 3.34Å; E177-L180 PolarHBondContact O-N 2.99Å; L180-A184 WeakPolarHBondContact O-CA 3.36Å; L180-A184 PolarHBondContact O-N 3.17Å; L180-V188 HydrophobicContact CD2-CB 3.81Å; L180-V188 HydrophobicContact CD2-CG1 4.04Å; L180-V188 HydrophobicContact CD2-CG2 4.11Å; L180-V188 HydrophobicContact CG-CB 4.41Å; L180-V188 HydrophobicContact CG-CG1 4.11Å
181Q96Very high97Very high114 Ų11423.5 Ų23.553%0.53313%0.128SC..Hα-helixtrans-66.2-43.9176.6-175.9-179.6-13.800111.9E177 V178 L179E177-Q181 WeakPolarHBondContact O-CB 3.48Å; E177-Q181 PolarHBondContact O-N 3.5Å; V178-Q181 PolarHBondContact O-N 3.17Å; L179-Q181 VanDerWaalsContact C-N 3.31Å; L179-Q181 PolarHBondContact O-N 3.04Å
182K96.5Very high96.6Very high9 Ų923.6 Ų23.64%0.03913%0.13CC..Hα-helixtrans-79.4-42.1-177.6-173.1170178.2-177.30112.5V178 L179 D233 L235 E261V178-K182 WeakPolarHBondContact O-CB 3.47Å; V178-K182 PolarHBondContact O-N 3.32Å; L179-K182 PolarHBondContact O-N 3.48Å; K182-D233 WeakPolarHBondContact CE-OD2 2.98Å; K182-D233 IonicContact NZ-OD1 2.76Å; K182-D233 PolarHBondContact NZ-OD1 3.19Å; K182-D233 IonicContact NZ-OD2 3.39Å; K182-D233 PolarHBondContact NZ-OD2 3.09Å; K182-L235 HydrophobicContact CB-CD1 4.24Å; K182-L235 HydrophobicContact CD-CD1 3.53Å; K182-L235 HydrophobicContact CD-CG 4.33Å; K182-E261 WeakPolarHBondContact O-CB 2.98Å; K182-E261 PolarHBondContact O-N 2.89Å
183F96.9Very high95.7Very high10 Ų1028.5 Ų28.54%0.04416%0.161CC..  trans-114.553.7-171.6-59.2-73.3000112.1L179 Y185 R186 V188 F230 D233 E261L179-F183 HydrophobicContact CD2-CD2 3.96Å; L179-F183 HydrophobicContact CD2-CE2 4.11Å; L179-F183 WeakPolarHBondContact O-CA 3.5Å; L179-F183 WeakPolarHBondContact O-CB 3.49Å; L179-F183 PolarHBondContact O-N 2.96Å; F183-Y185 PolarHBondContact O-N 2.78Å; F183-R186 HydrophobicContact CB-CB 3.99Å; F183-R186 HydrophobicContact CB-CG 3.91Å; F183-R186 HydrophobicContact CD1-CG 4.24Å; F183-R186 HydrophobicContact CG-CG 4.5Å; F183-R186 PolarHBondContact O-N 3.32Å; F183-R186 VanDerWaalsContact O-N 3.14Å; F183-V188 HydrophobicContact CB-CG2 4.48Å; F183-F230 HydrophobicContact CB-CE1 3.64Å; F183-F230 HydrophobicContact CB-CZ 4.21Å; F183-F230 HydrophobicContact CD1-CD1 4.18Å; F183-F230 AromaticContact CD1-CE1 3.84Å; F183-F230 HydrophobicContact CD1-CE1 3.84Å; F183-F230 AromaticContact CD2-CD1 3.76Å; F183-F230 HydrophobicContact CD2-CD1 3.76Å; F183-F230 AromaticContact CD2-CE1 3.63Å; F183-F230 HydrophobicContact CD2-CE1 3.63Å; F183-F230 HydrophobicContact CE1-CD1 4.25Å; F183-F230 HydrophobicContact CE1-CE1 4.37Å; F183-F230 AromaticContact CE2-CD1 3.84Å; F183-F230 HydrophobicContact CE2-CD1 3.84Å; F183-F230 HydrophobicContact CE2-CE1 4.18Å; F183-F230 AromaticContact CG-CD1 3.94Å; F183-F230 HydrophobicContact CG-CD1 3.94Å; F183-F230 AromaticContact CG-CE1 3.43Å; F183-F230 HydrophobicContact CG-CE1 3.43Å; F183-F230 VanDerWaalsContact CG-CE1 3.43Å; F183-F230 HydrophobicContact CG-CZ 4.42Å; F183-F230 HydrophobicContact CZ-CD1 4.08Å; F183-D233 HydrophobicContact CE2-CB 4.42Å; F183-D233 HydrophobicContact CZ-CB 4.04Å; F183-E261 HydrophobicContact CD1-CB 4.21Å; F183-E261 HydrophobicContact CD1-CG 4.31Å
184A95.4Very high94.8Very high33 Ų3332.5 Ų32.527%0.27318%0.177SC..THydrogen-bonded Turntrans-56.6-26.6-176.100000114.1L180 R397L180-A184 WeakPolarHBondContact O-CA 3.36Å; L180-A184 PolarHBondContact O-N 3.17Å; A184-R397 PolarHBondContact O-NE 2.68Å
185Y96.7Very high93.4Very high20 Ų2038.3 Ų38.38%0.07820%0.199CC..THydrogen-bonded Turntrans-102.512.4-175.8-44.1-61.2000114.2F183 F262 L394 V402 R453 F456 S457 C460F183-Y185 PolarHBondContact O-N 2.78Å; Y185-F262 HydrophobicContact CE2-CB 4.14Å; Y185-L394 WeakPolarHBondContact O-CD1 3.45Å; Y185-V402 HydrophobicContact CE1-CB 4.42Å; Y185-V402 HydrophobicContact CE1-CG1 4.42Å; Y185-R453 PolarHBondContact OH-NH1 3.29Å; Y185-R453 VanDerWaalsContact OH-NH1 3.07Å; Y185-F456 AromaticContact CD2-CD1 3.57Å; Y185-F456 HydrophobicContact CD2-CD1 3.57Å; Y185-F456 AromaticContact CD2-CE1 3.68Å; Y185-F456 HydrophobicContact CD2-CE1 3.68Å; Y185-F456 AromaticContact CE2-CD1 3.72Å; Y185-F456 HydrophobicContact CE2-CD1 3.72Å; Y185-F456 HydrophobicContact CE2-CE1 4.08Å; Y185-S457 WeakPolarHBondContact CD1-OG 3.28Å; Y185-C460 VanDerWaalsContact O-CB 3.27Å; Y185-C460 WeakPolarHBondContact O-CB 3.32Å
186R97.6Very high91.5Very high1 Ų146.6 Ų46.60%0.00424%0.239CC..SBendtrans-114.7163.8-177.4-56.7-66.2176.7177.50.1112.5F183 V188 L229 F230 E261 R397 C460 E464F183-R186 HydrophobicContact CB-CB 3.99Å; F183-R186 HydrophobicContact CB-CG 3.91Å; F183-R186 HydrophobicContact CD1-CG 4.24Å; F183-R186 HydrophobicContact CG-CG 4.5Å; F183-R186 PolarHBondContact O-N 3.32Å; F183-R186 VanDerWaalsContact O-N 3.14Å; R186-V188 PolarHBondContact O-N 3.22Å; R186-L229 VanDerWaalsContact NE-CD1 3.25Å; R186-L229 VanDerWaalsContact NH2-CD1 3.3Å; R186-F230 HydrophobicContact CB-CE1 3.79Å; R186-F230 HydrophobicContact CB-CZ 3.59Å; R186-F230 HydrophobicContact CG-CE1 4.1Å; R186-F230 HydrophobicContact CG-CZ 4.41Å; R186-E261 VanDerWaalsContact CG-OE2 3.25Å; R186-E261 WeakPolarHBondContact CG-OE2 3.46Å; R186-E261 IonicContact CZ-OE1 2.73Å; R186-E261 VanDerWaalsContact CZ-OE1 3.23Å; R186-E261 IonicContact NE-OE1 3.39Å; R186-E261 PolarHBondContact NE-OE1 3.22Å; R186-E261 IonicContact NE-OE2 3.4Å; R186-E261 PolarHBondContact NE-OE2 2.76Å; R186-E261 IonicContact NH2-OE1 3.82Å; R186-E261 PolarHBondContact NH2-OE1 2.97Å; R186-R397 PolarHBondContact O-NH2 3.5Å; R186-C460 VanDerWaalsContact CZ-SG 3.55Å; R186-C460 PolarHBondContact NH2-SG 3.28Å; R186-C460 VanDerWaalsContact NH2-SG 3.4Å; R186-E464 WeakPolarHBondContact CD-OE1 3.04Å; R186-E464 IonicContact CZ-OE1 2.8Å; R186-E464 IonicContact NE-OE1 3.03Å; R186-E464 IonicContact NH1-OE1 2.81Å; R186-E464 PolarHBondContact NH1-OE1 3.34Å
187V97.5Very high89.3Confident4 Ų452 Ų522%0.02427%0.269CS..  trans-76.988.6176.5178.60000109.6L387 Y391 L394 E464V187-L387 HydrophobicContact CG1-CD1 3.91Å; V187-Y391 HydrophobicContact CG2-CD2 4.13Å; V187-L394 HydrophobicContact CG2-CB 4.48Å; V187-L394 HydrophobicContact CG2-CD2 3.72Å; V187-E464 VanDerWaalsContact CB-OE2 3.28Å; V187-E464 WeakPolarHBondContact CB-OE2 3.37Å; V187-E464 HydrophobicContact CG2-CB 3.76Å; V187-E464 HydrophobicContact CG2-CG 3.92Å; V187-E464 WeakPolarHBondContact CG2-OE2 3.39Å; V187-E464 PolarHBondContact N-OE2 3.32Å; V187-E464 VanDerWaalsContact N-OE2 3.12Å
188V98.1Very high86.9Confident2 Ų257.9 Ų57.91%0.01229%0.293CS..PPolyproline II helixtrans-90.5120.9173.7-177.90000109.6L179 L180 F183 R186 F230L179-V188 HydrophobicContact CB-CG1 4.03Å; L180-V188 HydrophobicContact CD2-CB 3.81Å; L180-V188 HydrophobicContact CD2-CG1 4.04Å; L180-V188 HydrophobicContact CD2-CG2 4.11Å; L180-V188 HydrophobicContact CG-CB 4.41Å; L180-V188 HydrophobicContact CG-CG1 4.11Å; F183-V188 HydrophobicContact CB-CG2 4.48Å; R186-V188 PolarHBondContact O-N 3.22Å; V188-F230 HydrophobicContact CG2-CE2 4.35Å; V188-F230 HydrophobicContact CG2-CZ 3.88Å
189P97.5Very high84.6Confident3 Ų361.5 Ų61.52%0.01933%0.331CS..PPolyproline II helixtrans-68.8143.5-178.6-16.329.3000114.8H176 F220 L223 V224 S390H176-P189 PolarHBondContact CD2-O 2.92Å; H176-P189 PolarHBondContact NE2-O 3.06Å; P189-F220 HydrophobicContact CB-CD2 3.85Å; P189-F220 HydrophobicContact CB-CE2 4.4Å; P189-F220 VanDerWaalsContact O-CD2 3.28Å; P189-F220 WeakPolarHBondContact O-CD2 3.46Å; P189-F220 WeakPolarHBondContact O-CE2 3.48Å; P189-L223 HydrophobicContact CB-CB 4.37Å; P189-L223 HydrophobicContact CB-CD1 3.98Å; P189-L223 HydrophobicContact CG-CB 3.52Å; P189-L223 HydrophobicContact CG-CD1 3.9Å; P189-L223 HydrophobicContact CG-CG 4.35Å; P189-V224 HydrophobicContact CG-CG2 4.17Å; P189-S390 WeakPolarHBondContact CA-OG 3.34Å
190A94.5Very high82.2Confident54 Ų5467.3 Ų67.345%0.44637%0.366SS..PPolyproline II helixtrans-71.2149.1176.700000111.8
191L94.3Very high79.6Confident28 Ų2873.3 Ų73.315%0.14740%0.397CS..PPolyproline II helixtrans-84.8151.5170.9-70.4177.1000111.5F172 D173 H176 L217 F220F172-L191 HydrophobicContact CB-CD1 4.39Å; F172-L191 HydrophobicContact CB-CD2 4.1Å; D173-L191 HydrophobicContact CB-CD1 4.4Å; H176-L191 HydrophobicContact CB-CD1 3.53Å; H176-L191 HydrophobicContact CB-CG 3.9Å; L191-L217 HydrophobicContact CD2-CD2 4Å; L191-F220 HydrophobicContact CD2-CB 4.49Å; L191-F220 HydrophobicContact CD2-CD1 3.86Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 3.99Å; L191-F220 HydrophobicContact CD2-CE2 3.83Å; L191-F220 HydrophobicContact CD2-CG 3.72Å; L191-F220 HydrophobicContact CD2-CZ 3.98Å; L191-F220 HydrophobicContact CG-CD2 4.38Å; L191-F220 HydrophobicContact CG-CE2 4.32Å
192P88.6Confident77.6Confident16 Ų1672.5 Ų72.510%0.10440%0.4CS..PPolyproline II helixtrans-59.9147.8170.424.6-31.9000110.6Y169 R213 A216 L217Y169-P192 HydrophobicContact CE2-CG 4.17Å; Y169-P192 WeakPolarHBondContact CE2-O 3.4Å; Y169-P192 PolarHBondContact OH-O 2.8Å; P192-R213 HydrophobicContact CG-CG 3.97Å; P192-A216 HydrophobicContact CB-CB 3.65Å; P192-A216 HydrophobicContact CG-CB 3.73Å; P192-L217 HydrophobicContact CG-CD2 4.03Å; P192-L217 HydrophobicContact CG-CG 4.16Å
193P78.2Confident75.8Confident103 Ų10378.2 Ų78.267%0.66944%0.441SS*.PPolyproline II helixtrans-59.4144.1-172.621.7-32.3000113.2R195 R213P193-R195 PolarHBondContact O-N 3.31Å; P193-R213 PolarHBondContact O-NH2 3.17Å
194K80.1Confident74.5Confident112 Ų11282.6 Ų82.649%0.48746%0.463SS..PPolyproline II helixtrans-59.8137163.6-69.5179.8-178.2172.80107.5Y169 D173 M196Y169-K194 HydrophobicContact CE1-CD 4.39Å; Y169-K194 HydrophobicContact CE1-CG 3.64Å; D173-K194 VanDerWaalsContact CG-CE 3.44Å; D173-K194 VanDerWaalsContact CG-NZ 3.32Å; D173-K194 WeakPolarHBondContact OD1-CE 3.48Å; D173-K194 IonicContact OD1-NZ 3.99Å; D173-K194 PolarHBondContact OD1-NZ 3.3Å; D173-K194 VanDerWaalsContact OD2-CE 3.25Å; D173-K194 WeakPolarHBondContact OD2-CE 3.39Å; D173-K194 IonicContact OD2-NZ 3.7Å; D173-K194 PolarHBondContact OD2-NZ 3.48Å; K194-M196 PolarHBondContact O-N 3.25Å
195R67.9Low73.8Confident128 Ų12883.3 Ų83.348%0.48347%0.466SS..  trans-61.2107.3177.6-166.8165.270.6-177.12.6107.2P193 L197 E206 F209P193-R195 PolarHBondContact O-N 3.31Å; R195-L197 PolarHBondContact O-N 2.96Å; R195-L197 VanDerWaalsContact O-N 3.16Å; R195-E206 IonicContact CZ-OE1 2.73Å; R195-E206 IonicContact NH1-OE1 2.56Å; R195-E206 PolarHBondContact NH1-OE1 3.03Å; R195-E206 IonicContact NH2-OE1 2.84Å; R195-F209 HydrophobicContact CB-CE1 3.89Å; R195-F209 HydrophobicContact CB-CE2 4.32Å; R195-F209 HydrophobicContact CB-CZ 3.52Å; R195-F209 HydrophobicContact CG-CE1 4.11Å; R195-F209 HydrophobicContact CG-CE2 4.31Å; R195-F209 HydrophobicContact CG-CZ 3.86Å
196M57.6Low73.1Confident173 Ų17388 Ų8885%0.85249%0.489SS*.  trans-66.5113.5170.6-69.8-74.2179.400106.4K194 K198K194-M196 PolarHBondContact O-N 3.25Å; M196-K198 PolarHBondContact O-N 3.45Å
197L53.1Low72.4Confident149 Ų14998 Ų9878%0.7853%0.527SS*.  trans-66.6123.5178.7-106.5115.2000109.4R195R195-L197 PolarHBondContact O-N 2.96Å; R195-L197 VanDerWaalsContact O-N 3.16Å
198K46.3Very low71.8Confident204 Ų204102.5 Ų102.589%0.88755%0.547SS*.SBendtrans66.769.8143-142.7175.3-170.7-179.80114.9M196M196-K198 PolarHBondContact O-N 3.45Å
199G48.4Very low71.2Confident76 Ų76104.7 Ų104.778%0.78456%0.557SS**SBendtrans-176.4-27.2169.100000115.3
200V47.5Very low70.8Confident121 Ų121106 Ų10673%0.73356%0.563SS**SBendtrans-101.7116.2173.3-174.60000108.2T202V200-T202 HydrophobicContact CG1-CG2 4.08Å; V200-T202 PolarHBondContact O-N 3.43Å
201L43.3Very low70.6Confident179 Ų179106.3 Ų106.394%0.93756%0.555SS**  trans-5976.4166.8-70.9151.4000109.2
202T54.4Low70.4Confident98 Ų98106.6 Ų106.660%0.60157%0.565SS**  trans-83.9116.4161.858.70000106.5V200 M204V200-T202 HydrophobicContact CG1-CG2 4.08Å; V200-T202 PolarHBondContact O-N 3.43Å; T202-M204 PolarHBondContact O-N 3.01Å
203S58.7Low70.6Confident129 Ų129107.5 Ų107.590%0.90257%0.567SS**  trans-60.9617852.30000114.7
204M68.6Low71.5Confident102 Ų102105 Ų10550%0.50254%0.544SS..  trans-83.5133.3-174.8-67.4-177.87100111.5T202 E208T202-M204 PolarHBondContact O-N 3.01Å; M204-E208 WeakPolarHBondContact CA-OE2 3.35Å; M204-E208 HydrophobicContact CE-CB 4.04Å
205S80.9Confident72.2Confident48 Ų48102 Ų10234%0.33653%0.529SS..  trans-67.5156.6174.972.80000111.6R207 E208 F209S205-R207 PolarHBondContact O-N 2.89Å; S205-E208 WeakPolarHBondContact CB-OE1 3.18Å; S205-E208 PolarHBondContact N-OE2 2.86Å; S205-E208 PolarHBondContact O-N 3.48Å; S205-E208 WeakPolarHBondContact OG-CG 3.46Å; S205-E208 PolarHBondContact OG-N 3.12Å; S205-E208 PolarHBondContact OG-OE1 3.42Å; S205-F209 PolarHBondContact O-N 3.35Å
206E81.2Confident73.6Confident118 Ų11896.5 Ų96.555%0.55151%0.512SS*.Hα-helixtrans-58.8-34.1175.9178.1159.1-130.800112R195 F209 I210R195-E206 IonicContact CZ-OE1 2.73Å; R195-E206 IonicContact NH1-OE1 2.56Å; R195-E206 PolarHBondContact NH1-OE1 3.03Å; R195-E206 IonicContact NH2-OE1 2.84Å; E206-F209 PolarHBondContact O-N 3.43Å; E206-I210 HydrophobicContact CG-CD1 3.86Å; E206-I210 HydrophobicContact CG-CG1 4.46Å; E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.17Å; E206-I210 PolarHBondContact O-N 3.02Å
207R83.7Confident75.5Confident212 Ų21288.3 Ų88.380%0.847%0.471SS*.Hα-helixtrans-63.7-49.3175.5-176.8-174.7-70.7-152.3-0.5111.6S205 F209 I210 E211S205-R207 PolarHBondContact O-N 2.89Å; R207-F209 VanDerWaalsContact C-N 3.29Å; R207-F209 PolarHBondContact O-N 3.28Å; R207-I210 PolarHBondContact O-N 3Å; R207-E211 WeakPolarHBondContact O-CB 3.29Å; R207-E211 PolarHBondContact O-N 3.18Å
208E84.6Confident77.6Confident98 Ų9882.4 Ų82.446%0.45844%0.442SS..Hα-helixtrans-60.8-40.2176.7-76.3148.5-134.200111.6M204 S205 E211 G212M204-E208 WeakPolarHBondContact CA-OE2 3.35Å; M204-E208 HydrophobicContact CE-CB 4.04Å; S205-E208 WeakPolarHBondContact CB-OE1 3.18Å; S205-E208 PolarHBondContact N-OE2 2.86Å; S205-E208 PolarHBondContact O-N 3.48Å; S205-E208 WeakPolarHBondContact OG-CG 3.46Å; S205-E208 PolarHBondContact OG-N 3.12Å; S205-E208 PolarHBondContact OG-OE1 3.42Å; E208-E211 PolarHBondContact O-N 3.37Å; E208-G212 PolarHBondContact O-N 3.2Å
209F86.5Confident80.1Confident48 Ų4874.2 Ų74.221%0.21141%0.406CS..Hα-helixtrans-61.9-46.7176.9177.9-98.6000112.3R195 S205 E206 R207 R213R195-F209 HydrophobicContact CB-CE1 3.89Å; R195-F209 HydrophobicContact CB-CE2 4.32Å; R195-F209 HydrophobicContact CB-CZ 3.52Å; R195-F209 HydrophobicContact CG-CE1 4.11Å; R195-F209 HydrophobicContact CG-CE2 4.31Å; R195-F209 HydrophobicContact CG-CZ 3.86Å; S205-F209 PolarHBondContact O-N 3.35Å; E206-F209 PolarHBondContact O-N 3.43Å; R207-F209 VanDerWaalsContact C-N 3.29Å; R207-F209 PolarHBondContact O-N 3.28Å; F209-R213 VanDerWaalsContact CE1-CZ 3.5Å; F209-R213 WeakPolarHBondContact O-CB 3.5Å; F209-R213 PolarHBondContact O-N 3.39Å
210I88.1Confident82.5Confident30 Ų3070.8 Ų70.815%0.15437%0.369CS..Hα-helixtrans-65-42.9179.8-70168.5000110.8L140 V152 E206 R207 R213 R214L140-I210 HydrophobicContact CD1-CG2 3.59Å; L140-I210 HydrophobicContact CD2-CG2 3.74Å; L140-I210 HydrophobicContact CG-CG2 4.32Å; V152-I210 HydrophobicContact CG1-CG2 4.27Å; V152-I210 HydrophobicContact CG2-CD1 4.15Å; V152-I210 HydrophobicContact CG2-CG1 4.42Å; E206-I210 HydrophobicContact CG-CD1 3.86Å; E206-I210 HydrophobicContact CG-CG1 4.46Å; E206-I210 VanDerWaalsContact O-CG1 3.27Å; E206-I210 WeakPolarHBondContact O-CG1 3.17Å; E206-I210 PolarHBondContact O-N 3.02Å; R207-I210 PolarHBondContact O-N 3Å; I210-R213 PolarHBondContact O-N 3.05Å; I210-R214 PolarHBondContact O-N 3.44Å
211E89.6Confident84.9Confident60 Ų6065 Ų6528%0.2833%0.334SS..Hα-helixtrans-68.1-44.4178.7176.752.4-156.500112.1R207 E208 R213 R214 R215R207-E211 WeakPolarHBondContact O-CB 3.29Å; R207-E211 PolarHBondContact O-N 3.18Å; E208-E211 PolarHBondContact O-N 3.37Å; E211-R213 VanDerWaalsContact C-N 3.26Å; E211-R213 PolarHBondContact O-N 3.41Å; E211-R214 WeakPolarHBondContact O-CB 3.36Å; E211-R214 PolarHBondContact O-N 3.39Å; E211-R214 VanDerWaalsContact O-N 3.09Å; E211-R214 IonicContact OE1-CZ 3.7Å; E211-R214 IonicContact OE1-NE 3.22Å; E211-R214 PolarHBondContact OE1-NE 3.38Å; E211-R214 IonicContact OE1-NH2 2.84Å; E211-R214 PolarHBondContact OE1-NH2 3.01Å; E211-R214 IonicContact OE2-CZ 2.75Å; E211-R214 IonicContact OE2-NE 2.68Å; E211-R214 PolarHBondContact OE2-NE 3.2Å; E211-R214 IonicContact OE2-NH2 3.83Å; E211-R215 WeakPolarHBondContact O-CG 3.49Å; E211-R215 PolarHBondContact O-N 3.48Å; E211-R215 WeakPolarHBondContact OE1-CG 3.5Å; E211-R215 IonicContact OE1-CZ 3.28Å; E211-R215 IonicContact OE1-NE 3.06Å; E211-R215 PolarHBondContact OE1-NE 2.96Å; E211-R215 IonicContact OE1-NH2 2.89Å
212G91.3Very high87.5Confident35 Ų3557 Ų5736%0.36129%0.292SS..Hα-helixtrans-58.8-39.7174.700000112E208 A216E208-G212 PolarHBondContact O-N 3.2Å; G212-A216 WeakPolarHBondContact O-CB 3.39Å; G212-A216 PolarHBondContact O-N 3.04Å
213R93.6Very high89.6Confident34 Ų3452.7 Ų52.713%0.12827%0.266CS..Hα-helixtrans-63.9-46.1172.2176.7-179.5-75176-6.3112.1Y154 Y169 P192 P193 F209 I210 E211 R215 A216 L217Y154-R213 WeakPolarHBondContact OH-CD 3.35Å; Y169-R213 HydrophobicContact CD2-CG 4.29Å; P192-R213 HydrophobicContact CG-CG 3.97Å; P193-R213 PolarHBondContact O-NH2 3.17Å; F209-R213 VanDerWaalsContact CE1-CZ 3.5Å; F209-R213 WeakPolarHBondContact O-CB 3.5Å; F209-R213 PolarHBondContact O-N 3.39Å; I210-R213 PolarHBondContact O-N 3.05Å; E211-R213 VanDerWaalsContact C-N 3.26Å; E211-R213 PolarHBondContact O-N 3.41Å; R213-R215 VanDerWaalsContact C-N 3.32Å; R213-R215 PolarHBondContact O-N 2.92Å; R213-A216 PolarHBondContact O-N 3.24Å; R213-L217 HydrophobicContact CG-CD1 4.01Å; R213-L217 HydrophobicContact CG-CG 4.2Å; R213-L217 WeakPolarHBondContact O-CB 3.39Å; R213-L217 VanDerWaalsContact O-CG 3.32Å; R213-L217 WeakPolarHBondContact O-CG 3.24Å; R213-L217 PolarHBondContact O-N 3.42Å
214R95.3Very high91.5Very high51 Ų5146.5 Ų46.519%0.19222%0.223CC..Hα-helixtrans-57.6-45.6178.5-174.5-151.763.876.3-0.1111V138 Y154 I210 E211 L217 S218V138-R214 HydrophobicContact CG1-CG 4.12Å; V138-R214 WeakPolarHBondContact O-CD 3.49Å; V138-R214 WeakPolarHBondContact O-CG 3.36Å; V138-R214 PolarHBondContact O-NH1 3.31Å; Y154-R214 HydrophobicContact CD1-CG 4.25Å; Y154-R214 HydrophobicContact CE1-CB 4.08Å; Y154-R214 HydrophobicContact CE1-CG 4.32Å; I210-R214 PolarHBondContact O-N 3.44Å; E211-R214 WeakPolarHBondContact O-CB 3.36Å; E211-R214 PolarHBondContact O-N 3.39Å; E211-R214 VanDerWaalsContact O-N 3.09Å; E211-R214 IonicContact OE1-CZ 3.7Å; E211-R214 IonicContact OE1-NE 3.22Å; E211-R214 PolarHBondContact OE1-NE 3.38Å; E211-R214 IonicContact OE1-NH2 2.84Å; E211-R214 PolarHBondContact OE1-NH2 3.01Å; E211-R214 IonicContact OE2-CZ 2.75Å; E211-R214 IonicContact OE2-NE 2.68Å; E211-R214 PolarHBondContact OE2-NE 3.2Å; E211-R214 IonicContact OE2-NH2 3.83Å; R214-L217 PolarHBondContact O-N 2.98Å; R214-S218 PolarHBondContact O-N 3.47Å
215R95.3Very high92.9Very high49 Ų4941.8 Ų41.819%0.18520%0.199CC..Hα-helixtrans-58.1-49.4175.2-70172.3175.5-130.8-2.8111.7E211 R213 L217 S218 R219 D375 E379E211-R215 WeakPolarHBondContact O-CG 3.49Å; E211-R215 PolarHBondContact O-N 3.48Å; E211-R215 WeakPolarHBondContact OE1-CG 3.5Å; E211-R215 IonicContact OE1-CZ 3.28Å; E211-R215 IonicContact OE1-NE 3.06Å; E211-R215 PolarHBondContact OE1-NE 2.96Å; E211-R215 IonicContact OE1-NH2 2.89Å; R213-R215 VanDerWaalsContact C-N 3.32Å; R213-R215 PolarHBondContact O-N 2.92Å; R215-L217 PolarHBondContact O-N 3.47Å; R215-S218 VanDerWaalsContact O-CB 3.3Å; R215-S218 WeakPolarHBondContact O-CB 3.32Å; R215-S218 PolarHBondContact O-N 3.14Å; R215-R219 WeakPolarHBondContact O-CG 3.35Å; R215-R219 PolarHBondContact O-N 2.9Å; R215-D375 IonicContact CZ-OD1 2.85Å; R215-D375 VanDerWaalsContact CZ-OD1 3.28Å; R215-D375 IonicContact NH1-OD1 3.39Å; R215-D375 PolarHBondContact NH1-OD1 3.3Å; R215-D375 IonicContact NH2-OD1 3.96Å; R215-D375 PolarHBondContact NH2-OD1 3.46Å; R215-E379 WeakPolarHBondContact CD-OE1 3.47Å; R215-E379 IonicContact CZ-OE1 3.95Å; R215-E379 IonicContact NH1-OE1 3.02Å; R215-E379 PolarHBondContact NH1-OE1 2.86Å
216A96.7Very high93.7Very high13 Ų1341 Ų4111%0.10719%0.189CC..Hα-helixtrans-63.5-40.8177.900000113.2P192 G212 R213 S218 R219 F220P192-A216 HydrophobicContact CB-CB 3.65Å; P192-A216 HydrophobicContact CG-CB 3.73Å; G212-A216 WeakPolarHBondContact O-CB 3.39Å; G212-A216 PolarHBondContact O-N 3.04Å; R213-A216 PolarHBondContact O-N 3.24Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.4Å; A216-R219 PolarHBondContact O-N 3.27Å; A216-F220 WeakPolarHBondContact O-CB 3.44Å; A216-F220 PolarHBondContact O-N 3.45Å
217L97.9Very high94.5Very high0 Ų035.7 Ų35.70%017%0.165CC..Hα-helixtrans-62.2-38.5173.9-70.2177.2000111.8V138 Y154 Y169 F172 L191 P192 R213 R214 R215 I221V138-L217 HydrophobicContact CG1-CB 4.43Å; Y154-L217 HydrophobicContact CD1-CD1 4.43Å; Y154-L217 HydrophobicContact CD2-CD1 3.88Å; Y154-L217 HydrophobicContact CE1-CD1 4.15Å; Y154-L217 HydrophobicContact CE2-CD1 3.56Å; Y154-L217 HydrophobicContact CG-CD1 4.31Å; Y169-L217 HydrophobicContact CD2-CD2 4.39Å; F172-L217 HydrophobicContact CB-CD2 4.04Å; F172-L217 HydrophobicContact CD1-CD2 3.85Å; F172-L217 HydrophobicContact CD2-CD1 4.2Å; F172-L217 HydrophobicContact CD2-CD2 4.13Å; F172-L217 HydrophobicContact CE1-CB 4.43Å; F172-L217 HydrophobicContact CE1-CD2 4.28Å; F172-L217 HydrophobicContact CE2-CD1 4.14Å; F172-L217 HydrophobicContact CG-CD2 3.76Å; F172-L217 HydrophobicContact CZ-CB 4.44Å; L191-L217 HydrophobicContact CD2-CD2 4Å; P192-L217 HydrophobicContact CG-CD2 4.03Å; P192-L217 HydrophobicContact CG-CG 4.16Å; R213-L217 HydrophobicContact CG-CD1 4.01Å; R213-L217 HydrophobicContact CG-CG 4.2Å; R213-L217 WeakPolarHBondContact O-CB 3.39Å; R213-L217 VanDerWaalsContact O-CG 3.32Å; R213-L217 WeakPolarHBondContact O-CG 3.24Å; R213-L217 PolarHBondContact O-N 3.42Å; R214-L217 PolarHBondContact O-N 2.98Å; R215-L217 PolarHBondContact O-N 3.47Å; L217-I221 WeakPolarHBondContact O-CG2 3.19Å; L217-I221 PolarHBondContact O-N 3.02Å
218S97.9Very high95Very high25 Ų2526.4 Ų26.418%0.17513%0.131CC..Hα-helixtrans-60.9-47174-1700000111.8R214 R215 A216 I221 N222R214-S218 PolarHBondContact O-N 3.47Å; R215-S218 VanDerWaalsContact O-CB 3.3Å; R215-S218 WeakPolarHBondContact O-CB 3.32Å; R215-S218 PolarHBondContact O-N 3.14Å; A216-S218 VanDerWaalsContact C-N 3.3Å; A216-S218 PolarHBondContact O-N 3.4Å; S218-I221 WeakPolarHBondContact O-CG2 3.36Å; S218-I221 PolarHBondContact O-N 3.08Å; S218-N222 WeakPolarHBondContact O-CB 3.15Å; S218-N222 PolarHBondContact O-N 3.12Å; S218-N222 PolarHBondContact O-ND2 3.02Å
219R98.1Very high95.4Very high33 Ų3324.9 Ų24.913%0.12513%0.126CC..Hα-helixtrans-64.5-46.2177.6-62.6-170.6-48.8-96.4-2.1111.6R215 A216 I221 N222 L223 E379 F383 D386R215-R219 WeakPolarHBondContact O-CG 3.35Å; R215-R219 PolarHBondContact O-N 2.9Å; A216-R219 PolarHBondContact O-N 3.27Å; R219-I221 PolarHBondContact O-N 3.49Å; R219-N222 PolarHBondContact O-N 2.9Å; R219-L223 WeakPolarHBondContact O-CG 3.49Å; R219-L223 PolarHBondContact O-N 3.25Å; R219-E379 IonicContact CZ-OE2 3.38Å; R219-E379 IonicContact NH1-OE2 3.78Å; R219-E379 PolarHBondContact NH1-OE2 3.32Å; R219-F383 HydrophobicContact CB-CD2 4.05Å; R219-F383 HydrophobicContact CG-CB 4.39Å; R219-F383 HydrophobicContact CG-CD2 4.14Å; R219-D386 IonicContact CZ-OD2 2.81Å; R219-D386 IonicContact NE-OD2 3.75Å; R219-D386 PolarHBondContact NE-OD2 3.36Å; R219-D386 IonicContact NH2-OD2 3.8Å; R219-D386 PolarHBondContact NH2-OD2 3.4Å; R219-D386 VanDerWaalsContact NH2-OD2 3.1Å
220F98.6Very high95.9Very high3 Ų322.6 Ų22.61%0.01312%0.116CC..Hα-helixtrans-51-55.3174.6166.8-91.3000111.7F172 F175 H176 L179 P189 L191 A216 N222 L223 V224F172-F220 AromaticContact CD1-CD1 4Å; F172-F220 HydrophobicContact CD1-CD1 4Å; F172-F220 HydrophobicContact CD1-CE1 4.01Å; F172-F220 HydrophobicContact CE1-CD1 4.37Å; F175-F220 AromaticContact CD1-CE1 3.91Å; F175-F220 HydrophobicContact CD1-CE1 3.91Å; F175-F220 HydrophobicContact CD1-CZ 4.13Å; F175-F220 HydrophobicContact CE1-CE1 4.05Å; F175-F220 HydrophobicContact CE1-CZ 4.3Å; H176-F220 HydrophobicContact CB-CE2 4.4Å; H176-F220 HydrophobicContact CB-CZ 4.23Å; H176-F220 AromaticContact CD2-CE2 3.87Å; L179-F220 HydrophobicContact CD1-CZ 4.18Å; P189-F220 HydrophobicContact CB-CD2 3.85Å; P189-F220 HydrophobicContact CB-CE2 4.4Å; P189-F220 VanDerWaalsContact O-CD2 3.28Å; P189-F220 WeakPolarHBondContact O-CD2 3.46Å; P189-F220 WeakPolarHBondContact O-CE2 3.48Å; L191-F220 HydrophobicContact CD2-CB 4.49Å; L191-F220 HydrophobicContact CD2-CD1 3.86Å; L191-F220 HydrophobicContact CD2-CD2 3.67Å; L191-F220 HydrophobicContact CD2-CE1 3.99Å; L191-F220 HydrophobicContact CD2-CE2 3.83Å; L191-F220 HydrophobicContact CD2-CG 3.72Å; L191-F220 HydrophobicContact CD2-CZ 3.98Å; L191-F220 HydrophobicContact CG-CD2 4.38Å; L191-F220 HydrophobicContact CG-CE2 4.32Å; A216-F220 WeakPolarHBondContact O-CB 3.44Å; A216-F220 PolarHBondContact O-N 3.45Å; F220-N222 PolarHBondContact O-N 3.07Å; F220-L223 PolarHBondContact O-N 3.07Å; F220-V224 HydrophobicContact CE1-CG2 4.24Å; F220-V224 HydrophobicContact CE2-CG2 4.07Å; F220-V224 HydrophobicContact CZ-CG2 3.91Å; F220-V224 WeakPolarHBondContact O-CG2 3.42Å; F220-V224 PolarHBondContact O-N 3.35Å
221I98.5Very high96.2Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-71.6-31.3-173.5-166.359.4000112.3V136 V138 F172 F175 L217 S218 R219 V224 A225 F239 L240V136-I221 HydrophobicContact CB-CG1 4.38Å; V136-I221 HydrophobicContact CB-CG2 3.9Å; V136-I221 HydrophobicContact CG1-CB 4.48Å; V136-I221 HydrophobicContact CG1-CG1 3.95Å; V136-I221 HydrophobicContact CG1-CG2 3.64Å; V136-I221 HydrophobicContact CG2-CG1 4.41Å; V138-I221 HydrophobicContact CG2-CG2 3.74Å; F172-I221 HydrophobicContact CE1-CB 4.36Å; F175-I221 HydrophobicContact CE1-CD1 3.82Å; L217-I221 WeakPolarHBondContact O-CG2 3.19Å; L217-I221 PolarHBondContact O-N 3.02Å; S218-I221 WeakPolarHBondContact O-CG2 3.36Å; S218-I221 PolarHBondContact O-N 3.08Å; R219-I221 PolarHBondContact O-N 3.49Å; I221-V224 PolarHBondContact O-N 2.98Å; I221-A225 WeakPolarHBondContact O-CB 3.23Å; I221-A225 PolarHBondContact O-N 2.8Å; I221-F239 HydrophobicContact CD1-CD1 3.87Å; I221-F239 HydrophobicContact CD1-CE1 3.85Å; I221-F239 HydrophobicContact CG1-CE1 4.5Å; I221-L240 HydrophobicContact CD1-CD2 4.13Å; I221-L240 HydrophobicContact CG1-CD2 4Å
222N98.4Very high96.3Very high11 Ų1123.8 Ų23.86%0.05912%0.121CC..Hα-helixtrans-69.5-39.3174.3-82.5-82.4000111.9V136 S218 R219 F220 V224 R226 F383V136-N222 PolarHBondContact N-OD1 3.37Å; V136-N222 PolarHBondContact O-ND2 3.29Å; S218-N222 WeakPolarHBondContact O-CB 3.15Å; S218-N222 PolarHBondContact O-N 3.12Å; S218-N222 PolarHBondContact O-ND2 3.02Å; R219-N222 PolarHBondContact O-N 2.9Å; F220-N222 PolarHBondContact O-N 3.07Å; N222-V224 VanDerWaalsContact C-N 3.33Å; N222-R226 VanDerWaalsContact O-CB 3.24Å; N222-R226 WeakPolarHBondContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CD 3.36Å; N222-R226 WeakPolarHBondContact O-CG 3.19Å; N222-R226 PolarHBondContact O-N 3.41Å; N222-R226 PolarHBondContact OD1-NH2 3.39Å; N222-F383 HydrophobicContact CB-CE2 4Å
223L98.4Very high96.5Very high7 Ų723.3 Ų23.34%0.03711%0.11CC..Hα-helixtrans-61-44.1172.7-75.6170.7000111P189 R219 F220 H227 F383 D386 L387P189-L223 HydrophobicContact CB-CB 4.37Å; P189-L223 HydrophobicContact CB-CD1 3.98Å; P189-L223 HydrophobicContact CG-CB 3.52Å; P189-L223 HydrophobicContact CG-CD1 3.9Å; P189-L223 HydrophobicContact CG-CG 4.35Å; R219-L223 WeakPolarHBondContact O-CG 3.49Å; R219-L223 PolarHBondContact O-N 3.25Å; F220-L223 PolarHBondContact O-N 3.07Å; L223-H227 PolarHBondContact O-N 3.29Å; L223-H227 VanDerWaalsContact O-N 3.14Å; L223-F383 HydrophobicContact CD2-CD1 4.28Å; L223-F383 HydrophobicContact CD2-CD2 4.49Å; L223-F383 HydrophobicContact CD2-CE1 3.55Å; L223-F383 HydrophobicContact CD2-CE2 3.81Å; L223-F383 HydrophobicContact CD2-CZ 3.28Å; L223-F383 HydrophobicContact CG-CD2 4.26Å; L223-F383 HydrophobicContact CG-CE1 4.3Å; L223-F383 HydrophobicContact CG-CE2 3.65Å; L223-F383 HydrophobicContact CG-CZ 3.68Å; L223-D386 HydrophobicContact CD1-CB 3.95Å; L223-L387 HydrophobicContact CD1-CB 4.42Å; L223-L387 HydrophobicContact CD2-CB 3.91Å; L223-L387 HydrophobicContact CD2-CD1 4.14Å; L223-L387 HydrophobicContact CD2-CG 4.41Å
224V98.5Very high96.6Very high0 Ų026.1 Ų26.10%013%0.125CC..Hα-helixtrans-64.7-50.7177.2172.10000111.6F175 L179 P189 F220 I221 N222 R226 H227 F230 V236F175-V224 HydrophobicContact CE1-CG1 4.12Å; F175-V224 HydrophobicContact CZ-CG1 4Å; L179-V224 HydrophobicContact CD1-CG1 4.03Å; L179-V224 HydrophobicContact CD1-CG2 4.03Å; P189-V224 HydrophobicContact CG-CG2 4.17Å; F220-V224 HydrophobicContact CE1-CG2 4.24Å; F220-V224 HydrophobicContact CE2-CG2 4.07Å; F220-V224 HydrophobicContact CZ-CG2 3.91Å; F220-V224 WeakPolarHBondContact O-CG2 3.42Å; F220-V224 PolarHBondContact O-N 3.35Å; I221-V224 PolarHBondContact O-N 2.98Å; N222-V224 VanDerWaalsContact C-N 3.33Å; V224-R226 PolarHBondContact O-N 3.14Å; V224-H227 WeakPolarHBondContact O-CB 3.22Å; V224-H227 PolarHBondContact O-N 3.36Å; V224-F230 HydrophobicContact CB-CD2 4.5Å; V224-F230 HydrophobicContact CG1-CB 4.17Å; V224-F230 HydrophobicContact CG1-CD2 4.15Å; V224-F230 WeakPolarHBondContact O-CB 3.4Å; V224-V236 HydrophobicContact CG1-CG1 4.26Å; V224-V236 HydrophobicContact CG1-CG2 3.82Å
225A98.1Very high96.6Very high2 Ų223.7 Ų23.72%0.01712%0.116CC..Hα-helixtrans-68.7-21.6-175.300000113.5D134 V136 I221 S231 L240D134-A225 HydrophobicContact CB-CB 3.97Å; V136-A225 HydrophobicContact CG2-CB 3.86Å; I221-A225 WeakPolarHBondContact O-CB 3.23Å; I221-A225 PolarHBondContact O-N 2.8Å; A225-S231 WeakPolarHBondContact O-CB 3.38Å; A225-L240 HydrophobicContact CB-CD1 4.41Å
226R97.5Very high96.7Very high31 Ų3121.4 Ų21.412%0.11711%0.107CC..Hα-helixtrans-94.4-10.7176-65.4174.4179.1161.9-0.1113.6L130 K133 D134 T135 N222 V224L130-R226 WeakPolarHBondContact CD2-O 3.29Å; L130-R226 WeakPolarHBondContact O-CB 3.42Å; L130-R226 VanDerWaalsContact O-CG 3.3Å; L130-R226 WeakPolarHBondContact O-CG 3.47Å; K133-R226 VanDerWaalsContact CD-O 3.24Å; K133-R226 WeakPolarHBondContact CD-O 3.25Å; D134-R226 WeakPolarHBondContact O-CG 3.11Å; D134-R226 PolarHBondContact O-NE 3.14Å; T135-R226 PolarHBondContact OG1-NH2 2.89Å; N222-R226 VanDerWaalsContact O-CB 3.24Å; N222-R226 WeakPolarHBondContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CD 3.36Å; N222-R226 WeakPolarHBondContact O-CG 3.19Å; N222-R226 PolarHBondContact O-N 3.41Å; N222-R226 PolarHBondContact OD1-NH2 3.39Å; V224-R226 PolarHBondContact O-N 3.14Å
227H97.4Very high96.7Very high8 Ų824.6 Ų24.64%0.03712%0.119CC..SBendtrans-65.9128.8177.6-173.3-89.2000110.3L223 V224 L229 F230 S231 E464 L467L223-H227 PolarHBondContact O-N 3.29Å; L223-H227 VanDerWaalsContact O-N 3.14Å; V224-H227 WeakPolarHBondContact O-CB 3.22Å; V224-H227 PolarHBondContact O-N 3.36Å; H227-L229 VanDerWaalsContact C-N 3.28Å; H227-L229 PolarHBondContact ND1-N 3.33Å; H227-L229 PolarHBondContact O-N 3.39Å; H227-L229 VanDerWaalsContact O-N 3.12Å; H227-F230 HydrophobicContact CB-CB 3.98Å; H227-F230 HydrophobicContact CB-CD2 3.37Å; H227-F230 HydrophobicContact CB-CE2 4.02Å; H227-F230 HydrophobicContact CB-CG 3.8Å; H227-F230 AromaticContact CG-CD2 3.47Å; H227-F230 VanDerWaalsContact CG-CD2 3.47Å; H227-F230 AromaticContact CG-CE2 3.71Å; H227-F230 AromaticContact CG-CG 3.8Å; H227-F230 AromaticContact ND1-CD1 3.62Å; H227-F230 AromaticContact ND1-CD2 3.64Å; H227-F230 AromaticContact ND1-CE1 3.83Å; H227-F230 AromaticContact ND1-CE2 3.87Å; H227-F230 AromaticContact ND1-CG 3.51Å; H227-F230 AromaticContact ND1-CZ 3.96Å; H227-F230 PolarHBondContact ND1-N 3.31Å; H227-F230 PolarHBondContact O-N 3.48Å; H227-S231 WeakPolarHBondContact O-CB 3.4Å; H227-S231 PolarHBondContact O-N 2.87Å; H227-S231 PolarHBondContact O-OG 2.96Å; H227-S231 VanDerWaalsContact O-OG 3.08Å; H227-E464 IonicContact CD2-OE2 3.88Å; H227-E464 IonicContact CE1-OE1 3.01Å; H227-E464 IonicContact NE2-OE1 3.03Å; H227-E464 PolarHBondContact NE2-OE1 3.41Å; H227-E464 IonicContact NE2-OE2 3.1Å; H227-E464 PolarHBondContact NE2-OE2 3.42Å; H227-E464 VanDerWaalsContact NE2-OE2 3.14Å; H227-L467 WeakPolarHBondContact CD2-CD2 3.37Å
228P94.3Very high96.7Very high16 Ų1625.2 Ų25.210%0.10412%0.123CC..THydrogen-bonded Turntrans-45.3-48.4-176.4-34.938.7000114.8Q125 L130 S231 L467Q125-P228 VanDerWaalsContact NE2-CB 3.31Å; L130-P228 HydrophobicContact CD2-CG 3.82Å; P228-S231 PolarHBondContact O-OG 3.41Å; P228-L467 HydrophobicContact CG-CD1 4.12Å
229L93.3Very high96.7Very high66 Ų6624 Ų2435%0.34611%0.114SC..THydrogen-bonded Turntrans-83.1-37.2-176.2-66.1170.6000113.1R186 H227R186-L229 VanDerWaalsContact NE-CD1 3.25Å; R186-L229 VanDerWaalsContact NH2-CD1 3.3Å; H227-L229 VanDerWaalsContact C-N 3.28Å; H227-L229 PolarHBondContact ND1-N 3.33Å; H227-L229 PolarHBondContact O-N 3.39Å; H227-L229 VanDerWaalsContact O-N 3.12Å
230F96.3Very high96.7Very high1 Ų122.5 Ų22.50%0.00411%0.109CC..THydrogen-bonded Turntrans-74.9-35-176-52.1-25.4000110.4F183 R186 V188 V224 H227 E232 D233 V236F183-F230 HydrophobicContact CB-CE1 3.64Å; F183-F230 HydrophobicContact CB-CZ 4.21Å; F183-F230 HydrophobicContact CD1-CD1 4.18Å; F183-F230 AromaticContact CD1-CE1 3.84Å; F183-F230 HydrophobicContact CD1-CE1 3.84Å; F183-F230 AromaticContact CD2-CD1 3.76Å; F183-F230 HydrophobicContact CD2-CD1 3.76Å; F183-F230 AromaticContact CD2-CE1 3.63Å; F183-F230 HydrophobicContact CD2-CE1 3.63Å; F183-F230 HydrophobicContact CE1-CD1 4.25Å; F183-F230 HydrophobicContact CE1-CE1 4.37Å; F183-F230 AromaticContact CE2-CD1 3.84Å; F183-F230 HydrophobicContact CE2-CD1 3.84Å; F183-F230 HydrophobicContact CE2-CE1 4.18Å; F183-F230 AromaticContact CG-CD1 3.94Å; F183-F230 HydrophobicContact CG-CD1 3.94Å; F183-F230 AromaticContact CG-CE1 3.43Å; F183-F230 HydrophobicContact CG-CE1 3.43Å; F183-F230 VanDerWaalsContact CG-CE1 3.43Å; F183-F230 HydrophobicContact CG-CZ 4.42Å; F183-F230 HydrophobicContact CZ-CD1 4.08Å; R186-F230 HydrophobicContact CB-CE1 3.79Å; R186-F230 HydrophobicContact CB-CZ 3.59Å; R186-F230 HydrophobicContact CG-CE1 4.1Å; R186-F230 HydrophobicContact CG-CZ 4.41Å; V188-F230 HydrophobicContact CG2-CE2 4.35Å; V188-F230 HydrophobicContact CG2-CZ 3.88Å; V224-F230 HydrophobicContact CB-CD2 4.5Å; V224-F230 HydrophobicContact CG1-CB 4.17Å; V224-F230 HydrophobicContact CG1-CD2 4.15Å; V224-F230 WeakPolarHBondContact O-CB 3.4Å; H227-F230 HydrophobicContact CB-CB 3.98Å; H227-F230 HydrophobicContact CB-CD2 3.37Å; H227-F230 HydrophobicContact CB-CE2 4.02Å; H227-F230 HydrophobicContact CB-CG 3.8Å; H227-F230 AromaticContact CG-CD2 3.47Å; H227-F230 VanDerWaalsContact CG-CD2 3.47Å; H227-F230 AromaticContact CG-CE2 3.71Å; H227-F230 AromaticContact CG-CG 3.8Å; H227-F230 AromaticContact ND1-CD1 3.62Å; H227-F230 AromaticContact ND1-CD2 3.64Å; H227-F230 AromaticContact ND1-CE1 3.83Å; H227-F230 AromaticContact ND1-CE2 3.87Å; H227-F230 AromaticContact ND1-CG 3.51Å; H227-F230 AromaticContact ND1-CZ 3.96Å; H227-F230 PolarHBondContact ND1-N 3.31Å; H227-F230 PolarHBondContact O-N 3.48Å; F230-E232 PolarHBondContact O-N 3.47Å; F230-E232 VanDerWaalsContact O-N 3.12Å; F230-D233 WeakPolarHBondContact O-CB 3.41Å; F230-D233 PolarHBondContact O-N 3.13Å; F230-V236 HydrophobicContact CB-CG2 3.84Å; F230-V236 WeakPolarHBondContact O-CB 3.4Å; F230-V236 WeakPolarHBondContact O-CG2 3.4Å
231S94.9Very high96.7Very high2 Ų223.9 Ų23.91%0.01412%0.117CC..THydrogen-bonded Turntrans-57.1-28.4-179.367.30000113.9K133 R160 A225 H227 P228K133-S231 PolarHBondContact NZ-OG 2.69Å; R160-S231 PolarHBondContact NH1-O 2.78Å; R160-S231 VanDerWaalsContact NH1-O 3.13Å; A225-S231 WeakPolarHBondContact O-CB 3.38Å; H227-S231 WeakPolarHBondContact O-CB 3.4Å; H227-S231 PolarHBondContact O-N 2.87Å; H227-S231 PolarHBondContact O-OG 2.96Å; H227-S231 VanDerWaalsContact O-OG 3.08Å; P228-S231 PolarHBondContact O-OG 3.41Å
232E92.5Very high96.6Very high112 Ų11226.6 Ų26.652%0.52313%0.128SC..THydrogen-bonded Turntrans-98.6-2.4178.9-54.5-49.8132.100113K133 R160 F230K133-E232 IonicContact NZ-OE1 2.75Å; R160-E232 IonicContact CZ-OE1 3.16Å; R160-E232 IonicContact CZ-OE2 3.84Å; R160-E232 IonicContact NH1-OE1 3.41Å; R160-E232 PolarHBondContact NH1-OE1 2.84Å; R160-E232 IonicContact NH1-OE2 2.89Å; R160-E232 VanDerWaalsContact NH2-CD 3.31Å; R160-E232 IonicContact NH2-OE1 2.79Å; R160-E232 PolarHBondContact NH2-OE1 3.07Å; R160-E232 IonicContact NH2-OE2 2.79Å; R160-E232 PolarHBondContact NH2-OE2 3.07Å; F230-E232 PolarHBondContact O-N 3.47Å; F230-E232 VanDerWaalsContact O-N 3.12Å
233D95.3Very high96.4Very high25 Ų2530.4 Ų30.413%0.13416%0.156CC..  trans-83.3139.1-176.4-163.2-102000112.7K182 F183 F230 L235 V236 K237K182-D233 WeakPolarHBondContact CE-OD2 2.98Å; K182-D233 IonicContact NZ-OD1 2.76Å; K182-D233 PolarHBondContact NZ-OD1 3.19Å; K182-D233 IonicContact NZ-OD2 3.39Å; K182-D233 PolarHBondContact NZ-OD2 3.09Å; F183-D233 HydrophobicContact CE2-CB 4.42Å; F183-D233 HydrophobicContact CZ-CB 4.04Å; F230-D233 WeakPolarHBondContact O-CB 3.41Å; F230-D233 PolarHBondContact O-N 3.13Å; D233-L235 PolarHBondContact O-N 3.36Å; D233-L235 WeakPolarHBondContact OD1-CB 3.44Å; D233-L235 VanDerWaalsContact OD1-CG 3.3Å; D233-L235 WeakPolarHBondContact OD1-CG 3.48Å; D233-L235 PolarHBondContact OD1-N 3.19Å; D233-V236 PolarHBondContact O-N 2.88Å; D233-V236 VanDerWaalsContact O-N 3.13Å; D233-K237 PolarHBondContact O-N 3.02Å; D233-K237 VanDerWaalsContact O-N 3.13Å
234E94.5Very high96.1Very high93 Ų9331.2 Ų31.244%0.43517%0.166SC..Hα-helixtrans-62-24.6178.6-74.2-64.7149.200113.2K237 T238E234-K237 IonicContact OE1-NZ 2.85Å; E234-K237 PolarHBondContact OE1-NZ 2.74Å; E234-K237 IonicContact OE2-NZ 3.54Å; E234-T238 WeakPolarHBondContact O-CB 3.27Å; E234-T238 PolarHBondContact O-N 3.49Å; E234-T238 PolarHBondContact O-OG1 3.18Å
235L96.1Very high95.6Very high0 Ų037.3 Ų37.30%021%0.208CC..Hα-helixtrans-63.6-47.6173.2-69.3179.7000111.6F175 V178 K182 D233 T238 F239 L251 T254 C255F175-L235 HydrophobicContact CE2-CB 4.43Å; V178-L235 HydrophobicContact CG2-CD1 4.23Å; V178-L235 HydrophobicContact CG2-CD2 4.48Å; K182-L235 HydrophobicContact CB-CD1 4.24Å; K182-L235 HydrophobicContact CD-CD1 3.53Å; K182-L235 HydrophobicContact CD-CG 4.33Å; D233-L235 PolarHBondContact O-N 3.36Å; D233-L235 WeakPolarHBondContact OD1-CB 3.44Å; D233-L235 VanDerWaalsContact OD1-CG 3.3Å; D233-L235 WeakPolarHBondContact OD1-CG 3.48Å; D233-L235 PolarHBondContact OD1-N 3.19Å; L235-T238 PolarHBondContact O-N 2.85Å; L235-F239 WeakPolarHBondContact O-CB 3.2Å; L235-F239 PolarHBondContact O-N 3.43Å; L235-L251 HydrophobicContact CD2-CD2 4.14Å; L235-T254 HydrophobicContact CD2-CG2 3.78Å; L235-C255 HydrophobicContact CD2-CB 4.41Å
236V97.5Very high95.4Very high1 Ų140.9 Ų40.91%0.00623%0.227CC..Hα-helixtrans-67.5-45.7-179-1780000110.1F175 L179 V224 F230 D233 T238 F239 L240F175-V236 HydrophobicContact CE2-CG2 4.4Å; F175-V236 HydrophobicContact CZ-CB 4.38Å; F175-V236 HydrophobicContact CZ-CG2 3.99Å; L179-V236 HydrophobicContact CD2-CG2 4.42Å; V224-V236 HydrophobicContact CG1-CG1 4.26Å; V224-V236 HydrophobicContact CG1-CG2 3.82Å; F230-V236 HydrophobicContact CB-CG2 3.84Å; F230-V236 WeakPolarHBondContact O-CB 3.4Å; F230-V236 WeakPolarHBondContact O-CG2 3.4Å; D233-V236 PolarHBondContact O-N 2.88Å; D233-V236 VanDerWaalsContact O-N 3.13Å; V236-T238 VanDerWaalsContact C-N 3.34Å; V236-T238 PolarHBondContact O-N 2.85Å; V236-F239 PolarHBondContact O-N 2.63Å; V236-L240 HydrophobicContact CG1-CD1 3.84Å; V236-L240 HydrophobicContact CG1-CG 4.44Å; V236-L240 WeakPolarHBondContact O-CG 3.37Å; V236-L240 PolarHBondContact O-N 2.81Å
237K97.1Very high95.4Very high80 Ų8039.5 Ų39.535%0.34822%0.222SC..Hα-helixtrans-57.7-45.9175-179.3176.9163.9-161.90111.7Y161 D233 E234 F239 L240 T241Y161-K237 HydrophobicContact CE1-CD 4.35Å; Y161-K237 HydrophobicContact CE1-CG 3.98Å; D233-K237 PolarHBondContact O-N 3.02Å; D233-K237 VanDerWaalsContact O-N 3.13Å; E234-K237 IonicContact OE1-NZ 2.85Å; E234-K237 PolarHBondContact OE1-NZ 2.74Å; E234-K237 IonicContact OE2-NZ 3.54Å; K237-F239 PolarHBondContact O-N 3.08Å; K237-L240 PolarHBondContact O-N 3.03Å; K237-T241 HydrophobicContact CG-CG2 4.42Å; K237-T241 WeakPolarHBondContact O-CB 3.24Å; K237-T241 WeakPolarHBondContact O-CG2 3.36Å; K237-T241 PolarHBondContact O-N 2.94Å; K237-T241 PolarHBondContact O-OG1 3.28Å
238T97.3Very high95.4Very high14 Ų1441.1 Ų41.19%0.08623%0.229CC..Hα-helixtrans-60.7-45.8176.2-640000111E234 L235 V236 L240 T241 Y242 K250 L251E234-T238 WeakPolarHBondContact O-CB 3.27Å; E234-T238 PolarHBondContact O-N 3.49Å; E234-T238 PolarHBondContact O-OG1 3.18Å; L235-T238 PolarHBondContact O-N 2.85Å; V236-T238 VanDerWaalsContact C-N 3.34Å; V236-T238 PolarHBondContact O-N 2.85Å; T238-L240 VanDerWaalsContact C-N 3.27Å; T238-L240 PolarHBondContact O-N 2.9Å; T238-T241 PolarHBondContact O-N 3.29Å; T238-Y242 WeakPolarHBondContact O-CB 3.46Å; T238-Y242 PolarHBondContact O-N 3.28Å; T238-K250 HydrophobicContact CG2-CD 3.91Å; T238-K250 HydrophobicContact CG2-CG 4.08Å; T238-L251 HydrophobicContact CG2-CD2 4.23Å
239F98.3Very high95.5Very high0 Ų044.1 Ų44.10%025%0.248CC..Hα-helixtrans-61.6-33.7178.4-175.9-97.4000112.9R167 D171 F172 F175 I221 L235 V236 K237 L251R167-F239 HydrophobicContact CB-CZ 4.41Å; R167-F239 HydrophobicContact CG-CE1 4.39Å; R167-F239 HydrophobicContact CG-CE2 4.16Å; R167-F239 HydrophobicContact CG-CZ 3.84Å; R167-F239 VanDerWaalsContact CZ-O 3.29Å; R167-F239 PolarHBondContact NE-O 3.12Å; R167-F239 PolarHBondContact NH2-O 3.36Å; D171-F239 HydrophobicContact CB-CE2 4.34Å; F172-F239 HydrophobicContact CD1-CE1 4.12Å; F172-F239 AromaticContact CD1-CZ 3.65Å; F172-F239 HydrophobicContact CD1-CZ 3.65Å; F172-F239 HydrophobicContact CD2-CZ 4.09Å; F172-F239 AromaticContact CE1-CE1 3.77Å; F172-F239 HydrophobicContact CE1-CE1 3.77Å; F172-F239 AromaticContact CE1-CZ 3.65Å; F172-F239 HydrophobicContact CE1-CZ 3.65Å; F172-F239 HydrophobicContact CE2-CZ 4.09Å; F172-F239 AromaticContact CG-CZ 3.89Å; F172-F239 HydrophobicContact CG-CZ 3.89Å; F172-F239 HydrophobicContact CZ-CE1 4.13Å; F172-F239 AromaticContact CZ-CZ 3.87Å; F172-F239 HydrophobicContact CZ-CZ 3.87Å; F175-F239 HydrophobicContact CB-CD2 3.7Å; F175-F239 HydrophobicContact CB-CE2 3.77Å; F175-F239 HydrophobicContact CB-CG 4.4Å; F175-F239 HydrophobicContact CD1-CB 4.5Å; F175-F239 AromaticContact CD1-CD1 3.93Å; F175-F239 HydrophobicContact CD1-CD1 3.93Å; F175-F239 AromaticContact CD1-CD2 3.95Å; F175-F239 HydrophobicContact CD1-CD2 3.95Å; F175-F239 HydrophobicContact CD1-CE1 4.1Å; F175-F239 HydrophobicContact CD1-CE2 4.11Å; F175-F239 AromaticContact CD1-CG 3.85Å; F175-F239 HydrophobicContact CD1-CG 3.85Å; F175-F239 HydrophobicContact CD1-CZ 4.19Å; F175-F239 HydrophobicContact CD2-CB 3.84Å; F175-F239 AromaticContact CD2-CD2 3.98Å; F175-F239 HydrophobicContact CD2-CD2 3.98Å; F175-F239 AromaticContact CD2-CG 3.94Å; F175-F239 HydrophobicContact CD2-CG 3.94Å; F175-F239 HydrophobicContact CE1-CB 4.37Å; F175-F239 AromaticContact CE1-CD1 3.88Å; F175-F239 HydrophobicContact CE1-CD1 3.88Å; F175-F239 HydrophobicContact CE1-CE1 4.32Å; F175-F239 HydrophobicContact CE1-CG 4.01Å; F175-F239 HydrophobicContact CE2-CB 3.7Å; F175-F239 HydrophobicContact CE2-CG 4.1Å; F175-F239 HydrophobicContact CG-CB 4.24Å; F175-F239 HydrophobicContact CG-CD1 4.36Å; F175-F239 AromaticContact CG-CD2 3.61Å; F175-F239 HydrophobicContact CG-CD2 3.61Å; F175-F239 HydrophobicContact CG-CE2 4Å; F175-F239 AromaticContact CG-CG 3.8Å; F175-F239 HydrophobicContact CG-CG 3.8Å; F175-F239 HydrophobicContact CZ-CB 3.96Å; F175-F239 HydrophobicContact CZ-CD1 4.26Å; F175-F239 HydrophobicContact CZ-CG 4.12Å; I221-F239 HydrophobicContact CD1-CD1 3.87Å; I221-F239 HydrophobicContact CD1-CE1 3.85Å; I221-F239 HydrophobicContact CG1-CE1 4.5Å; L235-F239 WeakPolarHBondContact O-CB 3.2Å; L235-F239 PolarHBondContact O-N 3.43Å; V236-F239 PolarHBondContact O-N 2.63Å; K237-F239 PolarHBondContact O-N 3.08Å; F239-L251 HydrophobicContact CB-CD2 4.42Å; F239-L251 HydrophobicContact CD2-CD1 4.09Å
240L98.2Very high95.7Very high1 Ų144.6 Ų44.61%0.00525%0.247CC..Hα-helixtrans-88.5-19.4-178.5-66.7174.3000114.5V136 V156 Y161 V165 I221 A225 V236 K237 T238V136-L240 HydrophobicContact CG1-CD2 4.09Å; V136-L240 HydrophobicContact CG2-CD1 4.41Å; V136-L240 HydrophobicContact CG2-CD2 4.25Å; V156-L240 HydrophobicContact CG1-CD2 3.88Å; Y161-L240 HydrophobicContact CD2-CB 3.99Å; Y161-L240 HydrophobicContact CD2-CD1 4.09Å; Y161-L240 HydrophobicContact CE2-CB 4.29Å; Y161-L240 HydrophobicContact CE2-CD1 3.89Å; V165-L240 WeakPolarHBondContact CG1-O 3.45Å; I221-L240 HydrophobicContact CD1-CD2 4.13Å; I221-L240 HydrophobicContact CG1-CD2 4Å; A225-L240 HydrophobicContact CB-CD1 4.41Å; V236-L240 HydrophobicContact CG1-CD1 3.84Å; V236-L240 HydrophobicContact CG1-CG 4.44Å; V236-L240 WeakPolarHBondContact O-CG 3.37Å; V236-L240 PolarHBondContact O-N 2.81Å; K237-L240 PolarHBondContact O-N 3.03Å; T238-L240 VanDerWaalsContact C-N 3.27Å; T238-L240 PolarHBondContact O-N 2.9Å
241T97.6Very high95.7Very high32 Ų3244.6 Ų44.620%0.19625%0.247CC..Hα-helixtrans-118.2-24-171.562.40000114.4Y161 M163 K237 T238 S243Y161-T241 HydrophobicContact CD1-CG2 3.98Å; Y161-T241 HydrophobicContact CD2-CG2 4Å; Y161-T241 HydrophobicContact CG-CG2 3.64Å; M163-T241 WeakPolarHBondContact CE-O 3.48Å; M163-T241 HydrophobicContact SD-CG2 3.74Å; K237-T241 HydrophobicContact CG-CG2 4.42Å; K237-T241 WeakPolarHBondContact O-CB 3.24Å; K237-T241 WeakPolarHBondContact O-CG2 3.36Å; K237-T241 PolarHBondContact O-N 2.94Å; K237-T241 PolarHBondContact O-OG1 3.28Å; T238-T241 PolarHBondContact O-N 3.29Å; T241-S243 PolarHBondContact O-N 3.5Å
242Y97.1Very high95.8Very high57 Ų5748.7 Ų48.722%0.22426%0.262CS..  trans-77.8118.8-173.9-175.3-114000112.6R167 T238 G244 D246 V247 K250R167-Y242 PolarHBondContact NH1-O 2.94Å; R167-Y242 VanDerWaalsContact NH1-O 3.08Å; R167-Y242 PolarHBondContact NH2-O 2.88Å; T238-Y242 WeakPolarHBondContact O-CB 3.46Å; T238-Y242 PolarHBondContact O-N 3.28Å; Y242-G244 VanDerWaalsContact CE1-CA 3.44Å; Y242-G244 WeakPolarHBondContact CE1-O 3.13Å; Y242-D246 WeakPolarHBondContact CE1-OD1 3.4Å; Y242-D246 VanDerWaalsContact CZ-OD1 3.26Å; Y242-D246 PolarHBondContact OH-OD1 2.81Å; Y242-V247 HydrophobicContact CD1-CB 3.92Å; Y242-V247 HydrophobicContact CD1-CG2 4.1Å; Y242-V247 HydrophobicContact CE1-CB 4.39Å; Y242-K250 HydrophobicContact CD1-CD 4.02Å; Y242-K250 HydrophobicContact CD2-CD 4Å; Y242-K250 HydrophobicContact CE1-CD 3.97Å; Y242-K250 HydrophobicContact CE2-CD 3.97Å; Y242-K250 VanDerWaalsContact CE2-NZ 3.33Å; Y242-K250 HydrophobicContact CG-CD 4.01Å
243S93.8Very high95.9Very high91 Ų9146.7 Ų46.764%0.63626%0.255SS*.  trans-92.6-1.4-177.2-590000114.6T241T241-S243 PolarHBondContact O-N 3.5Å
244G91.8Very high95.8Very high24 Ų2447 Ų4725%0.24726%0.258CS..SBendtrans-76153.7-179.200000113.6Y242 D246Y242-G244 VanDerWaalsContact CE1-CA 3.44Å; Y242-G244 WeakPolarHBondContact CE1-O 3.13Å; G244-D246 VanDerWaalsContact C-N 3.26Å; G244-D246 PolarHBondContact O-N 3.4Å
245S89.4Confident95.7Very high128 Ų12842.6 Ų42.690%0.89524%0.238SC*.THydrogen-bonded Turntrans-72-15.4-177.855.60000114.4
246D94Very high95.5Very high76 Ų7649.7 Ų49.741%0.40627%0.268SS..THydrogen-bonded Turntrans-96.524.2-17865.4-35.8000113.1Y242 G244 Q248 T249 K250Y242-D246 WeakPolarHBondContact CE1-OD1 3.4Å; Y242-D246 VanDerWaalsContact CZ-OD1 3.26Å; Y242-D246 PolarHBondContact OH-OD1 2.81Å; G244-D246 VanDerWaalsContact C-N 3.26Å; G244-D246 PolarHBondContact O-N 3.4Å; D246-Q248 PolarHBondContact O-N 2.95Å; D246-Q248 VanDerWaalsContact O-N 3.13Å; D246-T249 PolarHBondContact O-N 3.49Å; D246-K250 PolarHBondContact O-N 3.18Å; D246-K250 VanDerWaalsContact O-N 3.09Å
247V96.4Very high95.2Very high2 Ų258.2 Ų58.21%0.01231%0.305CS..Hα-helixtrans-51.2-39.5-179.367.30000112.7D171 Y242 T249 K250 L251D171-V247 HydrophobicContact CB-CG1 4.22Å; Y242-V247 HydrophobicContact CD1-CB 3.92Å; Y242-V247 HydrophobicContact CD1-CG2 4.1Å; Y242-V247 HydrophobicContact CE1-CB 4.39Å; V247-T249 PolarHBondContact O-N 3.32Å; V247-K250 PolarHBondContact O-N 2.91Å; V247-L251 HydrophobicContact CG2-CD1 4.1Å; V247-L251 HydrophobicContact CG2-CG 4.31Å; V247-L251 WeakPolarHBondContact O-CB 3.42Å; V247-L251 VanDerWaalsContact O-CG 3.24Å; V247-L251 WeakPolarHBondContact O-CG 3.43Å; V247-L251 PolarHBondContact O-N 3.46Å
248Q97.1Very high94.8Very high42 Ų4257.2 Ų57.220%0.19631%0.306CS..Hα-helixtrans-61.4-45.1179.3-62.3-172.410.300112.1S170 D171 V174 D246 L251 R252S170-Q248 PolarHBondContact O-NE2 2.91Å; D171-Q248 PolarHBondContact OD1-NE2 2.84Å; V174-Q248 HydrophobicContact CB-CB 4.35Å; V174-Q248 HydrophobicContact CB-CG 4.1Å; V174-Q248 HydrophobicContact CG1-CB 4.05Å; V174-Q248 HydrophobicContact CG1-CG 4.34Å; V174-Q248 HydrophobicContact CG2-CB 4.16Å; V174-Q248 HydrophobicContact CG2-CG 3.86Å; D246-Q248 PolarHBondContact O-N 2.95Å; D246-Q248 VanDerWaalsContact O-N 3.13Å; Q248-L251 PolarHBondContact O-N 2.89Å; Q248-R252 WeakPolarHBondContact O-CG 3.36Å; Q248-R252 PolarHBondContact O-N 3.37Å; Q248-R252 VanDerWaalsContact O-N 3.13Å
249T97.1Very high94.5Very high80 Ų8057.9 Ų57.949%0.49132%0.316SS..Hα-helixtrans-64.1-47.3177.8-54.60000110.2D246 V247 L251 R252 D253D246-T249 PolarHBondContact O-N 3.49Å; V247-T249 PolarHBondContact O-N 3.32Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.16Å; T249-R252 PolarHBondContact O-N 3.11Å; T249-D253 WeakPolarHBondContact O-CB 3.07Å; T249-D253 PolarHBondContact O-N 2.82Å
250K96.6Very high94.3Very high76 Ų7659.6 Ų59.633%0.3333%0.325SS..Hα-helixtrans-58.9-40.8179.5-169.9170.3-178169.80112.8T238 Y242 D246 V247 T254T238-K250 HydrophobicContact CG2-CD 3.91Å; T238-K250 HydrophobicContact CG2-CG 4.08Å; Y242-K250 HydrophobicContact CD1-CD 4.02Å; Y242-K250 HydrophobicContact CD2-CD 4Å; Y242-K250 HydrophobicContact CE1-CD 3.97Å; Y242-K250 HydrophobicContact CE2-CD 3.97Å; Y242-K250 VanDerWaalsContact CE2-NZ 3.33Å; Y242-K250 HydrophobicContact CG-CD 4.01Å; D246-K250 PolarHBondContact O-N 3.18Å; D246-K250 VanDerWaalsContact O-N 3.09Å; V247-K250 PolarHBondContact O-N 2.91Å; K250-T254 WeakPolarHBondContact O-CB 3.47Å; K250-T254 PolarHBondContact O-N 3.48Å; K250-T254 PolarHBondContact O-OG1 3.28Å
251L97Very high94.1Very high0 Ų060 Ų600%033%0.326CS..Hα-helixtrans-64-48175.7-72.5171.4000111.9F175 V178 L235 T238 F239 V247 Q248 T249 D253 T254 C255F175-L251 HydrophobicContact CB-CD1 4.06Å; F175-L251 HydrophobicContact CD2-CD1 4.19Å; F175-L251 HydrophobicContact CD2-CD2 4.19Å; V178-L251 HydrophobicContact CG2-CB 4.24Å; L235-L251 HydrophobicContact CD2-CD2 4.14Å; T238-L251 HydrophobicContact CG2-CD2 4.23Å; F239-L251 HydrophobicContact CB-CD2 4.42Å; F239-L251 HydrophobicContact CD2-CD1 4.09Å; V247-L251 HydrophobicContact CG2-CD1 4.1Å; V247-L251 HydrophobicContact CG2-CG 4.31Å; V247-L251 WeakPolarHBondContact O-CB 3.42Å; V247-L251 VanDerWaalsContact O-CG 3.24Å; V247-L251 WeakPolarHBondContact O-CG 3.43Å; V247-L251 PolarHBondContact O-N 3.46Å; Q248-L251 PolarHBondContact O-N 2.89Å; T249-L251 VanDerWaalsContact C-N 3.31Å; T249-L251 PolarHBondContact O-N 3.16Å; L251-D253 VanDerWaalsContact C-N 3.34Å; L251-D253 PolarHBondContact O-N 3.14Å; L251-T254 PolarHBondContact O-N 3.32Å; L251-C255 WeakPolarHBondContact O-CB 3.29Å; L251-C255 PolarHBondContact O-N 3.48Å
252R96.7Very high93.9Very high89 Ų8959.2 Ų59.234%0.33632%0.321SS..Hα-helixtrans-62-42.3178.5-68.8-177.5-164.7-71.97.5111.5V174 E177 V178 Q248 T249 C255 K256V174-R252 HydrophobicContact CG1-CG 4.07Å; E177-R252 IonicContact OE2-CZ 2.6Å; E177-R252 IonicContact OE2-NH1 3.27Å; E177-R252 PolarHBondContact OE2-NH1 3.14Å; E177-R252 IonicContact OE2-NH2 2.91Å; E177-R252 PolarHBondContact OE2-NH2 3.03Å; V178-R252 HydrophobicContact CG1-CG 4.09Å; Q248-R252 WeakPolarHBondContact O-CG 3.36Å; Q248-R252 PolarHBondContact O-N 3.37Å; Q248-R252 VanDerWaalsContact O-N 3.13Å; T249-R252 PolarHBondContact O-N 3.11Å; R252-C255 PolarHBondContact O-N 3.38Å; R252-K256 WeakPolarHBondContact O-CB 3.39Å; R252-K256 VanDerWaalsContact O-CG 3.28Å; R252-K256 WeakPolarHBondContact O-CG 3.26Å; R252-K256 PolarHBondContact O-N 2.96Å
253D95.4Very high93.6Very high69 Ų6963 Ų6337%0.36934%0.342SS..Hα-helixtrans-67-40.6179.4-70.6-13000112.1T249 L251 K256 K257T249-D253 WeakPolarHBondContact O-CB 3.07Å; T249-D253 PolarHBondContact O-N 2.82Å; L251-D253 VanDerWaalsContact C-N 3.34Å; L251-D253 PolarHBondContact O-N 3.14Å; D253-K256 PolarHBondContact O-N 3.03Å; D253-K257 WeakPolarHBondContact O-CB 3.16Å; D253-K257 VanDerWaalsContact O-CG 3.25Å; D253-K257 WeakPolarHBondContact O-CG 3.35Å; D253-K257 PolarHBondContact O-N 3.06Å
254T92.2Very high93.4Very high32 Ų3262 Ų6220%0.19633%0.332CS..Hα-helixtrans-63.3-43.4176.3-56.70000111.2L235 K250 L251 K257 T258L235-T254 HydrophobicContact CD2-CG2 3.78Å; K250-T254 WeakPolarHBondContact O-CB 3.47Å; K250-T254 PolarHBondContact O-N 3.48Å; K250-T254 PolarHBondContact O-OG1 3.28Å; L251-T254 PolarHBondContact O-N 3.32Å; T254-K257 PolarHBondContact O-N 3.04Å; T254-T258 WeakPolarHBondContact O-CB 3.44Å; T254-T258 PolarHBondContact O-N 2.87Å; T254-T258 VanDerWaalsContact O-N 3.16Å; T254-T258 PolarHBondContact O-OG1 3.29Å
255C93.1Very high93.3Very high1 Ų162.8 Ų62.81%0.00733%0.331CS..Hα-helixtrans-63.7-46176.6-171.10000111.6V178 L235 L251 R252 K257 T258 G259V178-C255 HydrophobicContact CB-CB 4.08Å; V178-C255 HydrophobicContact CG1-CB 4.23Å; L235-C255 HydrophobicContact CD2-CB 4.41Å; L251-C255 WeakPolarHBondContact O-CB 3.29Å; L251-C255 PolarHBondContact O-N 3.48Å; R252-C255 PolarHBondContact O-N 3.38Å; C255-K257 VanDerWaalsContact C-N 3.34Å; C255-K257 PolarHBondContact O-N 3.41Å; C255-T258 PolarHBondContact O-N 3.21Å; C255-G259 PolarHBondContact O-N 2.96Å
256K92.7Very high93.2Very high149 Ų14967.6 Ų67.665%0.64833%0.329SS*.Hα-helixtrans-61.2-39.7178.6-75.6173.7-176.8177.10112.9R252 D253R252-K256 WeakPolarHBondContact O-CB 3.39Å; R252-K256 VanDerWaalsContact O-CG 3.28Å; R252-K256 WeakPolarHBondContact O-CG 3.26Å; R252-K256 PolarHBondContact O-N 2.96Å; D253-K256 PolarHBondContact O-N 3.03Å
257K91.2Very high92.9Very high180 Ų18066 Ų6678%0.78332%0.32SS*.Hα-helixtrans-70.1-36.7180-73.4172.8-174.4179.90112.9D253 T254 C255D253-K257 WeakPolarHBondContact O-CB 3.16Å; D253-K257 VanDerWaalsContact O-CG 3.25Å; D253-K257 WeakPolarHBondContact O-CG 3.35Å; D253-K257 PolarHBondContact O-N 3.06Å; T254-K257 PolarHBondContact O-N 3.04Å; C255-K257 VanDerWaalsContact C-N 3.34Å; C255-K257 PolarHBondContact O-N 3.41Å
258T88.3Confident92.7Very high59 Ų5966 Ų6636%0.36232%0.32SS..Hα-helixtrans-83.9-33.5-173.4-510000112.3T254 C255 T264T254-T258 WeakPolarHBondContact O-CB 3.44Å; T254-T258 PolarHBondContact O-N 2.87Å; T254-T258 VanDerWaalsContact O-N 3.16Å; T254-T258 PolarHBondContact O-OG1 3.29Å; C255-T258 PolarHBondContact O-N 3.21Å; T258-T264 HydrophobicContact CG2-CG2 3.92Å; T258-T264 WeakPolarHBondContact O-CG2 3.3Å
259G90.2Very high92.4Very high28 Ų2867.9 Ų67.929%0.28934%0.335SS..  trans81-175.1-170.800000112.6C255C255-G259 PolarHBondContact O-N 2.96Å
260D93.9Very high92Very high35 Ų3568 Ų6819%0.18733%0.33CS..  trans-80170.8178.973.520.2000112.6F262 M263 T264 R453D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.03Å; D260-F262 WeakPolarHBondContact OD1-CA 3.35Å; D260-F262 WeakPolarHBondContact OD1-CB 3.33Å; D260-F262 PolarHBondContact OD1-N 3.16Å; D260-M263 PolarHBondContact O-N 2.92Å; D260-M263 VanDerWaalsContact OD1-CG 3.29Å; D260-M263 WeakPolarHBondContact OD1-CG 3.48Å; D260-M263 PolarHBondContact OD1-N 3.35Å; D260-T264 PolarHBondContact O-N 3.28Å; D260-T264 PolarHBondContact O-OG1 3.21Å; D260-R453 IonicContact OD1-NH2 3.21Å; D260-R453 IonicContact OD2-CZ 3.72Å; D260-R453 VanDerWaalsContact OD2-CZ 3.27Å; D260-R453 IonicContact OD2-NH1 2.86Å; D260-R453 PolarHBondContact OD2-NH1 2.88Å; D260-R453 IonicContact OD2-NH2 2.78Å; D260-R453 PolarHBondContact OD2-NH2 3.17Å
261E94.1Very high91.7Very high9 Ų964.5 Ų64.54%0.04231%0.314CS..Hα-helixtrans-61.2-34.2179.5-169-174.9-179.800112.4K182 F183 R186 M263 T264 N265 F456K182-E261 WeakPolarHBondContact O-CB 2.98Å; K182-E261 PolarHBondContact O-N 2.89Å; F183-E261 HydrophobicContact CD1-CB 4.21Å; F183-E261 HydrophobicContact CD1-CG 4.31Å; R186-E261 VanDerWaalsContact CG-OE2 3.25Å; R186-E261 WeakPolarHBondContact CG-OE2 3.46Å; R186-E261 IonicContact CZ-OE1 2.73Å; R186-E261 VanDerWaalsContact CZ-OE1 3.23Å; R186-E261 IonicContact NE-OE1 3.39Å; R186-E261 PolarHBondContact NE-OE1 3.22Å; R186-E261 IonicContact NE-OE2 3.4Å; R186-E261 PolarHBondContact NE-OE2 2.76Å; R186-E261 IonicContact NH2-OE1 3.82Å; R186-E261 PolarHBondContact NH2-OE1 2.97Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.35Å; E261-T264 WeakPolarHBondContact CA-OG1 3.43Å; E261-T264 PolarHBondContact O-N 3.17Å; E261-T264 PolarHBondContact O-OG1 3.43Å; E261-N265 HydrophobicContact CG-CB 4.35Å; E261-N265 WeakPolarHBondContact O-CB 3.47Å; E261-N265 PolarHBondContact O-N 3.06Å; E261-F456 HydrophobicContact CB-CE1 4.37Å; E261-F456 HydrophobicContact CG-CE1 4.1Å; E261-F456 HydrophobicContact CG-CZ 3.94Å
262F94.5Very high91.4Very high17 Ų1769.5 Ų69.58%0.07534%0.336CS..Hα-helixtrans-64.8-39.2179.2179.3-90.9000111.7Y185 D260 T264 A268 T269 L452 R453 F456Y185-F262 HydrophobicContact CE2-CB 4.14Å; D260-F262 VanDerWaalsContact C-N 3.26Å; D260-F262 PolarHBondContact O-N 3.03Å; D260-F262 WeakPolarHBondContact OD1-CA 3.35Å; D260-F262 WeakPolarHBondContact OD1-CB 3.33Å; D260-F262 PolarHBondContact OD1-N 3.16Å; F262-T264 VanDerWaalsContact C-N 3.3Å; F262-T264 PolarHBondContact O-N 3.34Å; F262-A268 HydrophobicContact CD2-CB 3.68Å; F262-A268 HydrophobicContact CE2-CB 3.96Å; F262-A268 HydrophobicContact CG-CB 4.18Å; F262-A268 VanDerWaalsContact O-CB 3.29Å; F262-A268 WeakPolarHBondContact O-CB 3.42Å; F262-T269 HydrophobicContact CZ-CG2 4.35Å; F262-L452 HydrophobicContact CE2-CB 4.09Å; F262-L452 HydrophobicContact CZ-CB 3.85Å; F262-R453 HydrophobicContact CD1-CG 3.97Å; F262-R453 HydrophobicContact CD2-CB 4.37Å; F262-R453 HydrophobicContact CD2-CG 3.59Å; F262-R453 HydrophobicContact CE1-CG 3.94Å; F262-R453 HydrophobicContact CE2-CB 4.27Å; F262-R453 HydrophobicContact CE2-CG 3.59Å; F262-R453 HydrophobicContact CG-CG 3.8Å; F262-R453 HydrophobicContact CZ-CG 3.76Å; F262-F456 HydrophobicContact CB-CD1 4.06Å; F262-F456 HydrophobicContact CB-CE1 4.19Å; F262-F456 HydrophobicContact CD2-CB 3.84Å; F262-F456 AromaticContact CD2-CD1 3.66Å; F262-F456 HydrophobicContact CD2-CD1 3.66Å; F262-F456 HydrophobicContact CD2-CE1 4.49Å; F262-F456 AromaticContact CD2-CG 3.94Å; F262-F456 HydrophobicContact CD2-CG 3.94Å; F262-F456 HydrophobicContact CE2-CB 4.07Å; F262-F456 HydrophobicContact CG-CD1 4.36Å
263M91Very high91Very high136 Ų13672.3 Ų72.367%0.6735%0.353SS*.Hα-helixtrans-73.2-23178.8-62.5-56.4-65.500113.1D260 E261D260-M263 PolarHBondContact O-N 2.92Å; D260-M263 VanDerWaalsContact OD1-CG 3.29Å; D260-M263 WeakPolarHBondContact OD1-CG 3.48Å; D260-M263 PolarHBondContact OD1-N 3.35Å; E261-M263 VanDerWaalsContact C-N 3.33Å; E261-M263 PolarHBondContact O-N 3.35Å
264T89.3Confident90.7Very high69 Ų6973.1 Ų73.142%0.42335%0.352SS..Hα-helixtrans-104.7-25-172.351.50000113.6T258 D260 E261 F262T258-T264 HydrophobicContact CG2-CG2 3.92Å; T258-T264 WeakPolarHBondContact O-CG2 3.3Å; D260-T264 PolarHBondContact O-N 3.28Å; D260-T264 PolarHBondContact O-OG1 3.21Å; E261-T264 WeakPolarHBondContact CA-OG1 3.43Å; E261-T264 PolarHBondContact O-N 3.17Å; E261-T264 PolarHBondContact O-OG1 3.43Å; F262-T264 VanDerWaalsContact C-N 3.3Å; F262-T264 PolarHBondContact O-N 3.34Å
265N88.4Confident90.5Very high42 Ų4272.6 Ų72.623%0.22535%0.347CS..  trans-83.2122-179.7-170.1-30.6000111.3E261 I267 A268 F456E261-N265 HydrophobicContact CG-CB 4.35Å; E261-N265 WeakPolarHBondContact O-CB 3.47Å; E261-N265 PolarHBondContact O-N 3.06Å; N265-I267 PolarHBondContact O-N 3.06Å; N265-I267 PolarHBondContact OD1-N 3.11Å; N265-A268 HydrophobicContact CB-CB 4.3Å; N265-A268 VanDerWaalsContact O-CB 3.26Å; N265-A268 WeakPolarHBondContact O-CB 3.5Å; N265-A268 PolarHBondContact O-N 2.84Å; N265-A268 VanDerWaalsContact O-N 3.11Å; N265-F456 HydrophobicContact CB-CE2 4.2Å; N265-F456 HydrophobicContact CB-CZ 3.85Å
266R87.6Confident90.4Very high229 Ų22974.6 Ų74.686%0.86436%0.361SS*.THydrogen-bonded Turntrans-62.8-25.8-177.6-62.9-179.1-179.6177-0.2113.9A268R266-A268 VanDerWaalsContact C-N 3.35Å
267I87.9Confident90.2Very high43 Ų4373 Ų7322%0.22138%0.376CS..THydrogen-bonded Turntrans-84.9-14-178.3-63.6146.4000111.1V120 N265 T269 Q270 A271 Y274 F459V120-I267 HydrophobicContact CG1-CD1 3.28Å; V120-I267 HydrophobicContact CG1-CG1 3.91Å; V120-I267 HydrophobicContact CG1-CG2 4.04Å; N265-I267 PolarHBondContact O-N 3.06Å; N265-I267 PolarHBondContact OD1-N 3.11Å; I267-T269 VanDerWaalsContact C-N 3.34Å; I267-T269 PolarHBondContact O-N 3.09Å; I267-Q270 CarbonylContact O-C 3.53Å; I267-Q270 WeakPolarHBondContact O-CA 3.46Å; I267-Q270 PolarHBondContact O-N 2.99Å; I267-A271 PolarHBondContact O-N 3.22Å; I267-Y274 HydrophobicContact CG2-CD2 3.91Å; I267-Y274 HydrophobicContact CG2-CE2 3.8Å; I267-F459 HydrophobicContact CG2-CE2 4.21Å; I267-F459 HydrophobicContact CG2-CZ 4.17Å
268A91.6Very high90.2Very high1 Ų168.4 Ų68.41%0.00836%0.359CS..G310 helixtrans-58.9-40.6-167.400000114.3F262 N265 R266 Q270 F456F262-A268 HydrophobicContact CD2-CB 3.68Å; F262-A268 HydrophobicContact CE2-CB 3.96Å; F262-A268 HydrophobicContact CG-CB 4.18Å; F262-A268 VanDerWaalsContact O-CB 3.29Å; F262-A268 WeakPolarHBondContact O-CB 3.42Å; N265-A268 HydrophobicContact CB-CB 4.3Å; N265-A268 VanDerWaalsContact O-CB 3.26Å; N265-A268 WeakPolarHBondContact O-CB 3.5Å; N265-A268 PolarHBondContact O-N 2.84Å; N265-A268 VanDerWaalsContact O-N 3.11Å; R266-A268 VanDerWaalsContact C-N 3.35Å; A268-Q270 VanDerWaalsContact C-N 3.31Å; A268-F456 VanDerWaalsContact CA-CD2 3.42Å; A268-F456 HydrophobicContact CB-CB 4.44Å; A268-F456 HydrophobicContact CB-CD1 4.13Å; A268-F456 HydrophobicContact CB-CD2 3.69Å; A268-F456 HydrophobicContact CB-CE1 4.25Å; A268-F456 HydrophobicContact CB-CE2 3.83Å; A268-F456 HydrophobicContact CB-CG 3.82Å; A268-F456 HydrophobicContact CB-CZ 4.11Å
269T90.9Very high90.3Very high82 Ų8266.2 Ų66.250%0.50335%0.346SS..G310 helixtrans-79-13.9177.955.50000113.5F262 I267 L452F262-T269 HydrophobicContact CZ-CG2 4.35Å; I267-T269 VanDerWaalsContact C-N 3.34Å; I267-T269 PolarHBondContact O-N 3.09Å; T269-L452 HydrophobicContact CG2-CD1 4.36Å; T269-L452 WeakPolarHBondContact O-CD2 3.46Å
270Q89.2Confident90.4Very high83 Ų8368.2 Ų68.239%0.38835%0.348SS..G310 helixtrans-108.32.2-179.4-67.3176.9-21.100112.7I267 A268 K272 E273 Y274I267-Q270 CarbonylContact O-C 3.53Å; I267-Q270 WeakPolarHBondContact O-CA 3.46Å; I267-Q270 PolarHBondContact O-N 2.99Å; A268-Q270 VanDerWaalsContact C-N 3.31Å; Q270-K272 PolarHBondContact O-N 2.91Å; Q270-E273 WeakPolarHBondContact O-CB 3.27Å; Q270-E273 PolarHBondContact O-N 2.9Å; Q270-Y274 HydrophobicContact CB-CE2 4.04Å; Q270-Y274 WeakPolarHBondContact O-CD2 3.44Å
271A90.6Very high90.4Very high1 Ų169.3 Ų69.31%0.00836%0.361CS..Hα-helixtrans-52.1-34.6-172.600000113.8I267 E273 Y274 L275 F456 F459I267-A271 PolarHBondContact O-N 3.22Å; A271-E273 PolarHBondContact O-N 2.63Å; A271-Y274 PolarHBondContact O-N 3.44Å; A271-L275 WeakPolarHBondContact O-CG 3.48Å; A271-L275 PolarHBondContact O-N 3.09Å; A271-F456 HydrophobicContact CB-CB 4.17Å; A271-F456 HydrophobicContact CB-CD2 4.3Å; A271-F459 HydrophobicContact CB-CB 3.99Å; A271-F459 HydrophobicContact CB-CG 4.38Å
272K90.9Very high90.3Very high106 Ų10672 Ų7246%0.46137%0.374SS..Hα-helixtrans-57.6-33.6177.2-172.5179.6-170.6159.40113.4Q270 Y274 E451 Y455Q270-K272 PolarHBondContact O-N 2.91Å; K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.73Å; K272-E451 IonicContact NZ-OE1 2.74Å; K272-E451 PolarHBondContact NZ-OE1 2.81Å; K272-Y455 HydrophobicContact CB-CD1 4.16Å; K272-Y455 HydrophobicContact CB-CD2 3.81Å; K272-Y455 HydrophobicContact CB-CE2 4.17Å; K272-Y455 HydrophobicContact CB-CG 3.8Å; K272-Y455 HydrophobicContact CD-CD2 3.88Å; K272-Y455 HydrophobicContact CD-CE1 4.36Å; K272-Y455 HydrophobicContact CD-CE2 3.39Å; K272-Y455 VanDerWaalsContact CE-CZ 3.49Å; K272-Y455 WeakPolarHBondContact CE-OH 3.42Å; K272-Y455 HydrophobicContact CG-CD1 4.09Å; K272-Y455 HydrophobicContact CG-CD2 3.94Å; K272-Y455 HydrophobicContact CG-CE1 3.94Å; K272-Y455 HydrophobicContact CG-CE2 3.76Å; K272-Y455 HydrophobicContact CG-CG 4.1Å; K272-Y455 PolarHBondContact NZ-OH 3.22Å
273E89Confident90.4Very high148 Ų14871.7 Ų71.769%0.69237%0.373SS*.Hα-helixtrans-72.2-27.6-175.9-61.7175.1-163.800112.4Q270 A271Q270-E273 WeakPolarHBondContact O-CB 3.27Å; Q270-E273 PolarHBondContact O-N 2.9Å; A271-E273 PolarHBondContact O-N 2.63Å
274Y87.9Confident90.6Very high86 Ų8667.4 Ų67.434%0.33736%0.356SS..Hα-helixtrans-86.8-30.1179.2-58.8-78000111.7V120 L121 I267 Q270 A271 K272V120-Y274 HydrophobicContact CB-CD1 4.12Å; V120-Y274 HydrophobicContact CB-CE1 4.22Å; V120-Y274 HydrophobicContact CG2-CD1 4.31Å; V120-Y274 HydrophobicContact CG2-CE1 3.94Å; L121-Y274 WeakPolarHBondContact CD1-O 3.33Å; I267-Y274 HydrophobicContact CG2-CD2 3.91Å; I267-Y274 HydrophobicContact CG2-CE2 3.8Å; Q270-Y274 HydrophobicContact CB-CE2 4.04Å; Q270-Y274 WeakPolarHBondContact O-CD2 3.44Å; A271-Y274 PolarHBondContact O-N 3.44Å; K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.73Å
275L88.5Confident90.9Very high20 Ų2068.8 Ų68.811%0.10537%0.365CS..SBendtrans-70.8137.8-173-74.9173.9000113.4L121 A271 V279 Y455 L458 F459L121-L275 HydrophobicContact CD2-CD2 3.87Å; A271-L275 WeakPolarHBondContact O-CG 3.48Å; A271-L275 PolarHBondContact O-N 3.09Å; L275-V279 HydrophobicContact CB-CG1 4.38Å; L275-V279 HydrophobicContact CD1-CG1 4.46Å; L275-V279 HydrophobicContact CD2-CB 4.3Å; L275-V279 HydrophobicContact CD2-CG2 3.69Å; L275-Y455 HydrophobicContact CD1-CD1 3.91Å; L275-Y455 WeakPolarHBondContact CD1-O 3.37Å; L275-L458 HydrophobicContact CD1-CB 3.93Å; L275-F459 HydrophobicContact CD1-CB 4.45Å; L275-F459 HydrophobicContact CD2-CB 4.25Å; L275-F459 HydrophobicContact CG-CB 4.43Å
276P89.8Confident91.3Very high44 Ų4468.1 Ų68.129%0.28636%0.363SS..  trans-70.5153.4172.431.7-35.6000111.1D278 V279P276-D278 WeakPolarHBondContact CB-OD1 3.46Å; P276-D278 PolarHBondContact O-N 3.16Å; P276-D278 VanDerWaalsContact O-N 3.15Å; P276-V279 HydrophobicContact CG-CB 4.16Å; P276-V279 WeakPolarHBondContact O-CB 3.44Å; P276-V279 WeakPolarHBondContact O-CG1 3.5Å; P276-V279 PolarHBondContact O-N 2.71Å; P276-V279 VanDerWaalsContact O-N 3.08Å
277A89.3Confident91.8Very high116 Ų11660.4 Ų60.496%0.95933%0.334SS*.THydrogen-bonded Turntrans-61.2-26.5-175.600000113.7
278D90.9Very high92.3Very high82 Ų8262 Ų6244%0.43934%0.341SS..THydrogen-bonded Turntrans-97.312.1-179.968.4-36.7000113.5P276 Q280 A281 Q282P276-D278 WeakPolarHBondContact CB-OD1 3.46Å; P276-D278 PolarHBondContact O-N 3.16Å; P276-D278 VanDerWaalsContact O-N 3.15Å; D278-Q280 PolarHBondContact O-N 3.49Å; D278-A281 WeakPolarHBondContact O-CA 3.4Å; D278-A281 WeakPolarHBondContact O-CB 3.49Å; D278-A281 PolarHBondContact O-N 3.49Å; D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 2.96Å; D278-Q282 WeakPolarHBondContact OD2-CG 3.44Å; D278-Q282 PolarHBondContact OD2-NE2 3.18Å
279V90.4Very high92.6Very high14 Ų1465.7 Ų65.79%0.08536%0.36CS..Hα-helixtrans-49.6-39.1-177.162.90000113.4L275 P276 A281 Q282 F283 L458L275-V279 HydrophobicContact CB-CG1 4.38Å; L275-V279 HydrophobicContact CD1-CG1 4.46Å; L275-V279 HydrophobicContact CD2-CB 4.3Å; L275-V279 HydrophobicContact CD2-CG2 3.69Å; P276-V279 HydrophobicContact CG-CB 4.16Å; P276-V279 WeakPolarHBondContact O-CB 3.44Å; P276-V279 WeakPolarHBondContact O-CG1 3.5Å; P276-V279 PolarHBondContact O-N 2.71Å; P276-V279 VanDerWaalsContact O-N 3.08Å; V279-A281 VanDerWaalsContact C-N 3.34Å; V279-A281 PolarHBondContact O-N 3.14Å; V279-Q282 PolarHBondContact O-N 3.08Å; V279-F283 WeakPolarHBondContact O-CB 3.26Å; V279-F283 PolarHBondContact O-N 3.32Å; V279-L458 HydrophobicContact CG1-CD1 4.17Å; V279-L458 HydrophobicContact CG2-CB 4.24Å
280Q91.9Very high92.9Very high69 Ų6961.8 Ų61.832%0.32234%0.336SS..Hα-helixtrans-66.9-37.2-179.6-167.668.440.200112.1D278 S284D278-Q280 PolarHBondContact O-N 3.49Å; Q280-S284 PolarHBondContact O-N 3.17Å; Q280-S284 VanDerWaalsContact O-N 3.11Å; Q280-S284 PolarHBondContact O-OG 2.81Å
281A93.8Very high93.3Very high58 Ų5861.5 Ų61.548%0.47933%0.333SS..Hα-helixtrans-70.1-43.9175.200000110.2D278 V279 F283 S284 T285D278-A281 WeakPolarHBondContact O-CA 3.4Å; D278-A281 WeakPolarHBondContact O-CB 3.49Å; D278-A281 PolarHBondContact O-N 3.49Å; V279-A281 VanDerWaalsContact C-N 3.34Å; V279-A281 PolarHBondContact O-N 3.14Å; A281-F283 PolarHBondContact O-N 3Å; A281-S284 WeakPolarHBondContact O-CB 3.46Å; A281-S284 PolarHBondContact O-N 3.43Å; A281-S284 VanDerWaalsContact O-N 3.15Å; A281-T285 PolarHBondContact O-N 3.35Å; A281-T285 PolarHBondContact O-OG1 2.69Å
282Q93.8Very high93.7Very high66 Ų6665.1 Ų65.131%0.30835%0.353SS..Hα-helixtrans-58.7-45.1174.6-64.9-175.113.400111.9D278 V279 S284 T285 S286D278-Q282 PolarHBondContact O-N 3.24Å; D278-Q282 PolarHBondContact OD1-NE2 2.96Å; D278-Q282 WeakPolarHBondContact OD2-CG 3.44Å; D278-Q282 PolarHBondContact OD2-NE2 3.18Å; V279-Q282 PolarHBondContact O-N 3.08Å; Q282-S284 VanDerWaalsContact C-N 3.32Å; Q282-S284 PolarHBondContact O-N 3.14Å; Q282-T285 PolarHBondContact O-N 3.42Å; Q282-S286 WeakPolarHBondContact O-CB 3.47Å; Q282-S286 PolarHBondContact O-N 3.04Å; Q282-S286 PolarHBondContact O-OG 3.43Å
283F94.8Very high94Very high10 Ų1061.5 Ų61.54%0.04434%0.338CS..Hα-helixtrans-55.7-47.2173.7163.3-108.1000111.6V279 A281 T285 S286 R287 C395 H398 E399 L461V279-F283 WeakPolarHBondContact O-CB 3.26Å; V279-F283 PolarHBondContact O-N 3.32Å; A281-F283 PolarHBondContact O-N 3Å; F283-T285 VanDerWaalsContact C-N 3.34Å; F283-T285 PolarHBondContact O-N 3.34Å; F283-S286 PolarHBondContact O-N 3.49Å; F283-R287 VanDerWaalsContact O-CB 3.3Å; F283-R287 WeakPolarHBondContact O-CB 3.32Å; F283-R287 PolarHBondContact O-N 3.11Å; F283-C395 HydrophobicContact CE2-CB 4.21Å; F283-C395 HydrophobicContact CZ-CB 4.12Å; F283-H398 AromaticContact CZ-CD2 4Å; F283-E399 HydrophobicContact CE1-CG 4.22Å; F283-E399 HydrophobicContact CZ-CG 4.22Å; F283-L461 HydrophobicContact CD2-CD1 3.85Å; F283-L461 HydrophobicContact CD2-CD2 4.23Å; F283-L461 HydrophobicContact CD2-CG 4.46Å; F283-L461 HydrophobicContact CE2-CD1 3.65Å; F283-L461 HydrophobicContact CE2-CD2 3.84Å; F283-L461 HydrophobicContact CE2-CG 4.33Å; F283-L461 HydrophobicContact CZ-CD1 4.3Å
284S95.8Very high94.4Very high46 Ų4655.3 Ų55.332%0.32231%0.309SS..Hα-helixtrans-61.7-42.9-179.3-58.80000111.7Q280 A281 Q282 E288Q280-S284 PolarHBondContact O-N 3.17Å; Q280-S284 VanDerWaalsContact O-N 3.11Å; Q280-S284 PolarHBondContact O-OG 2.81Å; A281-S284 WeakPolarHBondContact O-CB 3.46Å; A281-S284 PolarHBondContact O-N 3.43Å; A281-S284 VanDerWaalsContact O-N 3.15Å; Q282-S284 VanDerWaalsContact C-N 3.32Å; Q282-S284 PolarHBondContact O-N 3.14Å; S284-E288 PolarHBondContact O-N 3.04Å
285T97Very high94.9Very high99 Ų9954 Ų5461%0.60731%0.308SS*.Hα-helixtrans-64.4-50.3175.3-60.10000111.8A281 Q282 F283 R287 E288 L289A281-T285 PolarHBondContact O-N 3.35Å; A281-T285 PolarHBondContact O-OG1 2.69Å; Q282-T285 PolarHBondContact O-N 3.42Å; F283-T285 VanDerWaalsContact C-N 3.34Å; F283-T285 PolarHBondContact O-N 3.34Å; T285-R287 VanDerWaalsContact C-N 3.31Å; T285-R287 PolarHBondContact O-N 3.38Å; T285-E288 PolarHBondContact O-N 3.11Å; T285-L289 WeakPolarHBondContact O-CB 3.42Å; T285-L289 PolarHBondContact O-N 2.83Å
286S96.6Very high95.4Very high27 Ų2755.6 Ų55.619%0.18932%0.321CS..Hα-helixtrans-61.2-39.5180-68.80000112.1Q282 F283 L289 I290Q282-S286 WeakPolarHBondContact O-CB 3.47Å; Q282-S286 PolarHBondContact O-N 3.04Å; Q282-S286 PolarHBondContact O-OG 3.43Å; F283-S286 PolarHBondContact O-N 3.49Å; S286-L289 PolarHBondContact O-N 3.33Å; S286-I290 WeakPolarHBondContact O-CB 3.42Å; S286-I290 WeakPolarHBondContact O-CG1 3.41Å; S286-I290 PolarHBondContact O-N 3.04Å
287R97.6Very high95.8Very high68 Ų6854.7 Ų54.726%0.25731%0.312SS..Hα-helixtrans-60.9-47.8176.3-177.9-17067.3-163.8-8.2112.1F283 T285 L289 I290 K291 C395 E399F283-R287 VanDerWaalsContact O-CB 3.3Å; F283-R287 WeakPolarHBondContact O-CB 3.32Å; F283-R287 PolarHBondContact O-N 3.11Å; T285-R287 VanDerWaalsContact C-N 3.31Å; T285-R287 PolarHBondContact O-N 3.38Å; R287-L289 VanDerWaalsContact C-N 3.35Å; R287-I290 PolarHBondContact O-N 3.27Å; R287-K291 VanDerWaalsContact O-CB 3.29Å; R287-K291 WeakPolarHBondContact O-CB 3.49Å; R287-K291 PolarHBondContact O-N 3.03Å; R287-C395 HydrophobicContact CG-CB 4.23Å; R287-E399 IonicContact CZ-OE1 2.95Å; R287-E399 IonicContact CZ-OE2 3.78Å; R287-E399 IonicContact NH1-OE1 3.7Å; R287-E399 PolarHBondContact NH1-OE1 3.4Å; R287-E399 IonicContact NH1-OE2 3.81Å; R287-E399 PolarHBondContact NH1-OE2 2.76Å
288E97.7Very high96.2Very high76 Ų7651.6 Ų51.636%0.35528%0.278SS..Hα-helixtrans-67.2-38.9179.9-168.459.5-14800111.2S284 T285 K291 N292S284-E288 PolarHBondContact O-N 3.04Å; T285-E288 PolarHBondContact O-N 3.11Å; E288-K291 PolarHBondContact O-N 3.18Å; E288-K291 IonicContact OE1-NZ 3.97Å; E288-K291 PolarHBondContact OE1-NZ 3.37Å; E288-K291 IonicContact OE2-NZ 2.74Å; E288-K291 PolarHBondContact OE2-NZ 2.99Å; E288-N292 VanDerWaalsContact O-CG 3.26Å; E288-N292 PolarHBondContact O-N 2.76Å; E288-N292 PolarHBondContact O-ND2 2.81Å; E288-N292 VanDerWaalsContact O-ND2 3.17Å
289L97.8Very high96.5Very high79 Ų7954.6 Ų54.641%0.41428%0.283SS..Hα-helixtrans-59.6-51.7174.1176.556.8000111.8T285 S286 R287 K291 N292 I293 F469T285-L289 WeakPolarHBondContact O-CB 3.42Å; T285-L289 PolarHBondContact O-N 2.83Å; S286-L289 PolarHBondContact O-N 3.33Å; R287-L289 VanDerWaalsContact C-N 3.35Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.46Å; L289-N292 WeakPolarHBondContact O-CB 3.3Å; L289-N292 PolarHBondContact O-N 2.79Å; L289-N292 VanDerWaalsContact O-N 3.08Å; L289-I293 HydrophobicContact CD1-CD1 4.16Å; L289-I293 HydrophobicContact CD1-CG1 4.37Å; L289-I293 HydrophobicContact CG-CD1 4.09Å; L289-I293 WeakPolarHBondContact O-CG1 3.17Å; L289-I293 PolarHBondContact O-N 2.82Å; L289-F469 HydrophobicContact CD2-CE1 4.2Å; L289-F469 HydrophobicContact CD2-CZ 3.75Å; L289-F469 HydrophobicContact CG-CZ 4.46Å
290I98Very high96.9Very high0 Ų057.4 Ų57.40%030%0.297CS..Hα-helixtrans-64-36.3-179.6-70.5167.9000111.2S286 R287 N292 I293 H294 L388 Y391 T465 I468 F469S286-I290 WeakPolarHBondContact O-CB 3.42Å; S286-I290 WeakPolarHBondContact O-CG1 3.41Å; S286-I290 PolarHBondContact O-N 3.04Å; R287-I290 PolarHBondContact O-N 3.27Å; I290-N292 PolarHBondContact O-N 2.89Å; I290-I293 PolarHBondContact O-N 3.14Å; I290-H294 WeakPolarHBondContact O-CB 3.24Å; I290-H294 PolarHBondContact O-N 3.19Å; I290-L388 HydrophobicContact CG2-CD2 3.83Å; I290-Y391 HydrophobicContact CB-CD1 4.08Å; I290-Y391 HydrophobicContact CB-CE1 4.02Å; I290-Y391 HydrophobicContact CD1-CD1 3.81Å; I290-Y391 HydrophobicContact CD1-CD2 4.32Å; I290-Y391 HydrophobicContact CD1-CE1 3.41Å; I290-Y391 VanDerWaalsContact CD1-CE1 3.41Å; I290-Y391 HydrophobicContact CD1-CE2 3.98Å; I290-Y391 HydrophobicContact CD1-CG 4.26Å; I290-Y391 HydrophobicContact CG1-CE1 4.29Å; I290-Y391 HydrophobicContact CG2-CD1 3.51Å; I290-Y391 HydrophobicContact CG2-CE1 3.99Å; I290-Y391 HydrophobicContact CG2-CG 4.22Å; I290-T465 HydrophobicContact CD1-CG2 4.23Å; I290-I468 HydrophobicContact CD1-CB 4.2Å; I290-I468 HydrophobicContact CD1-CG1 4.31Å; I290-I468 HydrophobicContact CD1-CG2 4.02Å; I290-I468 HydrophobicContact CG1-CG2 4.13Å; I290-I468 HydrophobicContact CG2-CG2 4.45Å; I290-F469 HydrophobicContact CD1-CE2 4.41Å
291K97.9Very high97.2Very high77 Ų7756.4 Ų56.434%0.33529%0.29SS..Hα-helixtrans-61.3-41.6171.7174.9-174.8159.3-143.90112.1R287 E288 L289 H294 N295R287-K291 VanDerWaalsContact O-CB 3.29Å; R287-K291 WeakPolarHBondContact O-CB 3.49Å; R287-K291 PolarHBondContact O-N 3.03Å; E288-K291 PolarHBondContact O-N 3.18Å; E288-K291 IonicContact OE1-NZ 3.97Å; E288-K291 PolarHBondContact OE1-NZ 3.37Å; E288-K291 IonicContact OE2-NZ 2.74Å; E288-K291 PolarHBondContact OE2-NZ 2.99Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.46Å; K291-H294 PolarHBondContact O-N 3.43Å; K291-N295 PolarHBondContact O-N 3.32Å; K291-N295 PolarHBondContact O-ND2 3.37Å
292N98Very high97.4Very high77 Ų7756.3 Ų56.341%0.41228%0.282SS..Hα-helixtrans-67.3-39176.4-70.9-30.4000112.4E288 L289 I290 N295 S296E288-N292 VanDerWaalsContact O-CG 3.26Å; E288-N292 PolarHBondContact O-N 2.76Å; E288-N292 PolarHBondContact O-ND2 2.81Å; E288-N292 VanDerWaalsContact O-ND2 3.17Å; L289-N292 WeakPolarHBondContact O-CB 3.3Å; L289-N292 PolarHBondContact O-N 2.79Å; L289-N292 VanDerWaalsContact O-N 3.08Å; I290-N292 PolarHBondContact O-N 2.89Å; N292-N295 PolarHBondContact O-N 2.96Å; N292-S296 WeakPolarHBondContact O-CB 3.45Å; N292-S296 PolarHBondContact O-N 3.35Å; N292-S296 VanDerWaalsContact O-N 3.08Å; N292-S296 PolarHBondContact O-OG 3.33Å
293I97.9Very high97.6Very high29 Ų2961.1 Ų61.115%0.14930%0.297CS..Hα-helixtrans-60-53.1172.3-67169000109.4L289 I290 N295 S296 F297 F384 L388L289-I293 HydrophobicContact CD1-CD1 4.16Å; L289-I293 HydrophobicContact CD1-CG1 4.37Å; L289-I293 HydrophobicContact CG-CD1 4.09Å; L289-I293 WeakPolarHBondContact O-CG1 3.17Å; L289-I293 PolarHBondContact O-N 2.82Å; I290-I293 PolarHBondContact O-N 3.14Å; I293-N295 PolarHBondContact O-N 3.07Å; I293-S296 PolarHBondContact O-N 3.49Å; I293-F297 HydrophobicContact CG2-CD2 3.66Å; I293-F297 HydrophobicContact CG2-CE2 3.85Å; I293-F297 WeakPolarHBondContact O-CD2 3.24Å; I293-F297 PolarHBondContact O-N 3.43Å; I293-F384 HydrophobicContact CG2-CE1 4.21Å; I293-F384 HydrophobicContact CG2-CZ 4.45Å; I293-L388 HydrophobicContact CG2-CD1 3.96Å; I293-L388 HydrophobicContact CG2-CD2 4.23Å
294H98.3Very high97.7Very high18 Ų1861.1 Ų61.18%0.08330%0.299CS..Hα-helixtrans-50.7-52.6176.5172.5-82.2000112.1I290 K291 S296 F297 Q298 L388 Q389I290-H294 WeakPolarHBondContact O-CB 3.24Å; I290-H294 PolarHBondContact O-N 3.19Å; K291-H294 PolarHBondContact O-N 3.43Å; H294-S296 PolarHBondContact O-N 3.03Å; H294-F297 PolarHBondContact O-N 2.99Å; H294-Q298 WeakPolarHBondContact O-CB 3.46Å; H294-Q298 PolarHBondContact O-N 3.39Å; H294-L388 HydrophobicContact CB-CB 4.13Å; H294-L388 HydrophobicContact CB-CD1 4.25Å; H294-Q389 PolarHBondContact NE2-OE1 3.4Å
295N98.2Very high97.7Very high60 Ų6061.3 Ų61.332%0.32130%0.295SS..Hα-helixtrans-61.7-33.5-178.8-67.3-19.4000112.5K291 N292 I293 R299K291-N295 PolarHBondContact O-N 3.32Å; K291-N295 PolarHBondContact O-ND2 3.37Å; N292-N295 PolarHBondContact O-N 2.96Å; I293-N295 PolarHBondContact O-N 3.07Å; N295-R299 WeakPolarHBondContact O-CG 3.35Å; N295-R299 PolarHBondContact O-N 3.33Å; N295-R299 PolarHBondContact O-NH1 3.44Å; N295-R299 VanDerWaalsContact O-NH1 3.12Å
296S97.7Very high97.8Very high53 Ų5361.7 Ų61.737%0.37129%0.288SS..Hα-helixtrans-73.7-44.3178.3-56.50000111.8N292 I293 H294 Q298 R299 L300N292-S296 WeakPolarHBondContact O-CB 3.45Å; N292-S296 PolarHBondContact O-N 3.35Å; N292-S296 VanDerWaalsContact O-N 3.08Å; N292-S296 PolarHBondContact O-OG 3.33Å; I293-S296 PolarHBondContact O-N 3.49Å; H294-S296 PolarHBondContact O-N 3.03Å; S296-Q298 VanDerWaalsContact C-N 3.31Å; S296-Q298 PolarHBondContact O-N 2.81Å; S296-R299 PolarHBondContact O-N 2.93Å; S296-R299 PolarHBondContact OG-NH2 2.71Å; S296-R299 VanDerWaalsContact OG-NH2 3.1Å; S296-L300 PolarHBondContact O-N 2.85Å
297F98.1Very high97.7Very high24 Ų2462.7 Ų62.711%0.10529%0.29CS..Hα-helixtrans-66.3-33.1174.9-87.4-90.4000112.6I293 H294 L300 R301 L381 F384 L385 T475I293-F297 HydrophobicContact CG2-CD2 3.66Å; I293-F297 HydrophobicContact CG2-CE2 3.85Å; I293-F297 WeakPolarHBondContact O-CD2 3.24Å; I293-F297 PolarHBondContact O-N 3.43Å; H294-F297 PolarHBondContact O-N 2.99Å; F297-L300 HydrophobicContact CD1-CD2 4.43Å; F297-L300 HydrophobicContact CE1-CD2 4.47Å; F297-L300 PolarHBondContact O-N 3.14Å; F297-R301 WeakPolarHBondContact O-CB 3.43Å; F297-R301 PolarHBondContact O-N 3.12Å; F297-L381 HydrophobicContact CD1-CD2 3.72Å; F297-L381 HydrophobicContact CE1-CD2 4.19Å; F297-F384 AromaticContact CD1-CD1 3.69Å; F297-F384 HydrophobicContact CD1-CD1 3.69Å; F297-F384 HydrophobicContact CD1-CE1 4.12Å; F297-F384 HydrophobicContact CD2-CD1 4.23Å; F297-F384 AromaticContact CD2-CE1 3.87Å; F297-F384 HydrophobicContact CD2-CE1 3.87Å; F297-F384 AromaticContact CE1-CD1 3.74Å; F297-F384 HydrophobicContact CE1-CD1 3.74Å; F297-F384 AromaticContact CE1-CE1 3.96Å; F297-F384 HydrophobicContact CE1-CE1 3.96Å; F297-F384 HydrophobicContact CE2-CD1 4.28Å; F297-F384 AromaticContact CE2-CE1 3.71Å; F297-F384 HydrophobicContact CE2-CE1 3.71Å; F297-F384 AromaticContact CG-CD1 3.95Å; F297-F384 HydrophobicContact CG-CD1 3.95Å; F297-F384 HydrophobicContact CG-CE1 4.07Å; F297-F384 HydrophobicContact CZ-CD1 4.04Å; F297-F384 AromaticContact CZ-CE1 3.75Å; F297-F384 HydrophobicContact CZ-CE1 3.75Å; F297-L385 HydrophobicContact CB-CD2 3.85Å; F297-L385 HydrophobicContact CB-CG 4.33Å; F297-T475 HydrophobicContact CE1-CG2 4.35Å; F297-T475 HydrophobicContact CZ-CG2 3.9Å; F297-T475 WeakPolarHBondContact CZ-OG1 3.45Å
298Q98.2Very high97.7Very high51 Ų5159.7 Ų59.724%0.23828%0.28CS..Hα-helixtrans-62.2-48.7175.2176.959.636.200110H294 S296 L300 R301 D302 L385H294-Q298 WeakPolarHBondContact O-CB 3.46Å; H294-Q298 PolarHBondContact O-N 3.39Å; S296-Q298 VanDerWaalsContact C-N 3.31Å; S296-Q298 PolarHBondContact O-N 2.81Å; Q298-L300 VanDerWaalsContact C-N 3.3Å; Q298-L300 PolarHBondContact O-N 3.45Å; Q298-R301 PolarHBondContact O-N 3.06Å; Q298-D302 PolarHBondContact NE2-OD1 3.08Å; Q298-D302 PolarHBondContact NE2-OD2 3.18Å; Q298-D302 PolarHBondContact O-N 3.23Å; Q298-L385 HydrophobicContact CB-CD2 4.06Å
299R98.3Very high97.6Very high146 Ų14660.7 Ų60.755%0.55129%0.285SS*.Hα-helixtrans-61-39.1174.4-69.1-172.9-58.7-88.32.1112.3N295 S296 D302 R303N295-R299 WeakPolarHBondContact O-CG 3.35Å; N295-R299 PolarHBondContact O-N 3.33Å; N295-R299 PolarHBondContact O-NH1 3.44Å; N295-R299 VanDerWaalsContact O-NH1 3.12Å; S296-R299 PolarHBondContact O-N 2.93Å; S296-R299 PolarHBondContact OG-NH2 2.71Å; S296-R299 VanDerWaalsContact OG-NH2 3.1Å; R299-D302 PolarHBondContact O-N 2.91Å; R299-R303 WeakPolarHBondContact O-CG 3.44Å; R299-R303 PolarHBondContact O-N 3.15Å
300L97.3Very high97.5Very high73 Ų7364.1 Ų64.138%0.38229%0.292SS..Hα-helixtrans-63.5-45.1177.2-178.660.5000111.3S296 F297 Q298 R303 A304 L381S296-L300 PolarHBondContact O-N 2.85Å; F297-L300 HydrophobicContact CD1-CD2 4.43Å; F297-L300 HydrophobicContact CE1-CD2 4.47Å; F297-L300 PolarHBondContact O-N 3.14Å; Q298-L300 VanDerWaalsContact C-N 3.3Å; Q298-L300 PolarHBondContact O-N 3.45Å; L300-R303 PolarHBondContact O-N 2.94Å; L300-A304 PolarHBondContact O-N 3.36Å; L300-L381 HydrophobicContact CD2-CD2 3.91Å; L300-L381 HydrophobicContact CG-CD1 4.39Å; L300-L381 HydrophobicContact CG-CD2 4.17Å
301R98.1Very high97.4Very high47 Ų4765 Ų6518%0.17730%0.298CS..Hα-helixtrans-58.9-48.2174.8-172.8-83.4-62.5-147.3-18.7111.6F297 Q298 R303 A304 E305 V378 L381 L385F297-R301 WeakPolarHBondContact O-CB 3.43Å; F297-R301 PolarHBondContact O-N 3.12Å; Q298-R301 PolarHBondContact O-N 3.06Å; R301-R303 PolarHBondContact O-N 3.36Å; R301-A304 PolarHBondContact O-N 3.44Å; R301-A304 VanDerWaalsContact O-N 3.09Å; R301-E305 IonicContact CZ-OE2 3.06Å; R301-E305 IonicContact NH1-OE1 3.13Å; R301-E305 IonicContact NH1-OE2 3.99Å; R301-E305 PolarHBondContact NH1-OE2 2.55Å; R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 PolarHBondContact O-N 2.85Å; R301-V378 HydrophobicContact CG-CG1 4.34Å; R301-L381 HydrophobicContact CB-CB 3.96Å; R301-L381 HydrophobicContact CB-CD1 4.23Å; R301-L381 HydrophobicContact CG-CB 3.89Å; R301-L385 HydrophobicContact CB-CD1 3.69Å; R301-L385 HydrophobicContact CG-CD1 3.96Å
302D97.9Very high97.3Very high56 Ų5664.7 Ų64.730%0.29930%0.298SS..Hα-helixtrans-60.5-30179.8-61-22.6000112.2Q298 R299 K306Q298-D302 PolarHBondContact NE2-OD1 3.08Å; Q298-D302 PolarHBondContact NE2-OD2 3.18Å; Q298-D302 PolarHBondContact O-N 3.23Å; R299-D302 PolarHBondContact O-N 2.91Å; D302-K306 WeakPolarHBondContact O-CG 3.35Å; D302-K306 PolarHBondContact O-N 3.3Å
303R97.8Very high97.2Very high168 Ų16866.4 Ų66.463%0.63430%0.304SS*.Hα-helixtrans-77.1-44.2173.5-63.3-57.3177.4-171.2-1.4112.1R299 L300 R301 E305 K306 M307R299-R303 WeakPolarHBondContact O-CG 3.44Å; R299-R303 PolarHBondContact O-N 3.15Å; L300-R303 PolarHBondContact O-N 2.94Å; R301-R303 PolarHBondContact O-N 3.36Å; R303-E305 VanDerWaalsContact C-N 3.33Å; R303-E305 PolarHBondContact O-N 3.28Å; R303-K306 PolarHBondContact O-N 3.16Å; R303-M307 WeakPolarHBondContact O-CG 3.46Å; R303-M307 PolarHBondContact O-N 3.47Å
304A97.6Very high97.2Very high9 Ų968.3 Ų68.37%0.07432%0.315CS..Hα-helixtrans-62.1-40.2178.100000112L300 R301 M307 A308 V377 V378 L381L300-A304 PolarHBondContact O-N 3.36Å; R301-A304 PolarHBondContact O-N 3.44Å; R301-A304 VanDerWaalsContact O-N 3.09Å; A304-M307 WeakPolarHBondContact O-CB 3.49Å; A304-M307 PolarHBondContact O-N 3.19Å; A304-A308 PolarHBondContact O-N 3.48Å; A304-V377 HydrophobicContact CB-CG1 4.2Å; A304-V378 HydrophobicContact CB-CG2 4.1Å; A304-L381 HydrophobicContact CB-CD1 3.77Å
305E96.8Very high97.1Very high51 Ų5168.1 Ų68.124%0.23832%0.315CS..Hα-helixtrans-60.4-47.1175.5-173.7162.3-139.800111.1R301 R303 M307 A308 E309 V378R301-E305 IonicContact CZ-OE2 3.06Å; R301-E305 IonicContact NH1-OE1 3.13Å; R301-E305 IonicContact NH1-OE2 3.99Å; R301-E305 PolarHBondContact NH1-OE2 2.55Å; R301-E305 WeakPolarHBondContact O-CB 3.39Å; R301-E305 PolarHBondContact O-N 2.85Å; R303-E305 VanDerWaalsContact C-N 3.33Å; R303-E305 PolarHBondContact O-N 3.28Å; E305-M307 PolarHBondContact O-N 2.89Å; E305-A308 PolarHBondContact O-N 3.02Å; E305-A308 VanDerWaalsContact O-N 3.12Å; E305-E309 WeakPolarHBondContact O-CG 2.97Å; E305-E309 PolarHBondContact O-N 3.09Å; E305-V378 HydrophobicContact CB-CG1 4.28Å; E305-V378 HydrophobicContact CB-CG2 4.34Å
306K97.6Very high97.1Very high107 Ų10769.3 Ų69.347%0.46533%0.325SS..Hα-helixtrans-63.3-24.4173.1-72.1177.9179.9-174.90114.2D302 R303 R310D302-K306 WeakPolarHBondContact O-CG 3.35Å; D302-K306 PolarHBondContact O-N 3.3Å; R303-K306 PolarHBondContact O-N 3.16Å; K306-R310 WeakPolarHBondContact O-CB 3.41Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.34Å; K306-R310 PolarHBondContact O-N 3.4Å; K306-R310 PolarHBondContact O-NE 3.21Å
307M95.9Very high97.1Very high48 Ų4871.9 Ų71.924%0.23633%0.334CS..Hα-helixtrans-73.3-47.3172.8-67.3-177.668.300110.2R303 A304 E305 E309 R310 S311 F482R303-M307 WeakPolarHBondContact O-CG 3.46Å; R303-M307 PolarHBondContact O-N 3.47Å; A304-M307 WeakPolarHBondContact O-CB 3.49Å; A304-M307 PolarHBondContact O-N 3.19Å; E305-M307 PolarHBondContact O-N 2.89Å; M307-E309 VanDerWaalsContact C-N 3.34Å; M307-E309 PolarHBondContact O-N 3.42Å; M307-R310 PolarHBondContact O-N 3.16Å; M307-S311 PolarHBondContact O-N 2.92Å; M307-S311 PolarHBondContact O-OG 3.38Å; M307-S311 VanDerWaalsContact O-OG 3.08Å; M307-F482 HydrophobicContact CE-CE2 3.58Å; M307-F482 HydrophobicContact CE-CZ 3.47Å; M307-F482 VanDerWaalsContact CE-CZ 3.47Å; M307-F482 HydrophobicContact SD-CE2 3.74Å; M307-F482 HydrophobicContact SD-CZ 3.78Å
308A96.6Very high97.1Very high4 Ų471.4 Ų71.43%0.03333%0.333CS..Hα-helixtrans-60-42.7176.400000112.4A304 E305 S311 M312 E373 Q374 V378A304-A308 PolarHBondContact O-N 3.48Å; E305-A308 PolarHBondContact O-N 3.02Å; E305-A308 VanDerWaalsContact O-N 3.12Å; A308-S311 WeakPolarHBondContact O-CB 3.45Å; A308-S311 PolarHBondContact O-N 2.94Å; A308-M312 PolarHBondContact O-N 3.36Å; A308-M312 VanDerWaalsContact O-N 3.11Å; A308-E373 VanDerWaalsContact CA-OE2 3.27Å; A308-E373 WeakPolarHBondContact CA-OE2 3.43Å; A308-E373 HydrophobicContact CB-CB 3.79Å; A308-E373 PolarHBondContact N-OE2 2.97Å; A308-Q374 HydrophobicContact CB-CB 4.3Å; A308-V378 HydrophobicContact CB-CG2 4.48Å
309E95.9Very high97Very high98 Ų9871.1 Ų71.146%0.45833%0.334SS..Hα-helixtrans-58.8-50.4174.6-73.1171.9166.700111.2E305 M307 S311 M312 E313E305-E309 WeakPolarHBondContact O-CG 2.97Å; E305-E309 PolarHBondContact O-N 3.09Å; M307-E309 VanDerWaalsContact C-N 3.34Å; M307-E309 PolarHBondContact O-N 3.42Å; E309-S311 VanDerWaalsContact C-N 3.29Å; E309-S311 PolarHBondContact O-N 3.45Å; E309-M312 CarbonylContact O-C 3.58Å; E309-M312 WeakPolarHBondContact O-CA 3.3Å; E309-M312 WeakPolarHBondContact O-CB 3.43Å; E309-M312 PolarHBondContact O-N 2.97Å; E309-E313 WeakPolarHBondContact O-CG 3.38Å; E309-E313 PolarHBondContact O-N 3.44Å
310R96Very high96.9Very high151 Ų15168.1 Ų68.157%0.5733%0.327SS*.Hα-helixtrans-61.4-36177.9-76.5-174.9-60159.35.4113K306 M307 M312 E313 N314K306-R310 WeakPolarHBondContact O-CB 3.41Å; K306-R310 VanDerWaalsContact O-CG 3.27Å; K306-R310 WeakPolarHBondContact O-CG 3.34Å; K306-R310 PolarHBondContact O-N 3.4Å; K306-R310 PolarHBondContact O-NE 3.21Å; M307-R310 PolarHBondContact O-N 3.16Å; R310-M312 VanDerWaalsContact C-N 3.27Å; R310-M312 PolarHBondContact O-N 3.17Å; R310-E313 PolarHBondContact O-N 3.24Å; R310-N314 WeakPolarHBondContact O-CB 3.28Å; R310-N314 PolarHBondContact O-N 3.37Å
311S95.3Very high96.9Very high17 Ų1770 Ų7012%0.11933%0.332CS..Hα-helixtrans-62.1-38.2174.5-61.60000111.2M307 A308 E309 S315 G370 E373M307-S311 PolarHBondContact O-N 2.92Å; M307-S311 PolarHBondContact O-OG 3.38Å; M307-S311 VanDerWaalsContact O-OG 3.08Å; A308-S311 WeakPolarHBondContact O-CB 3.45Å; A308-S311 PolarHBondContact O-N 2.94Å; E309-S311 VanDerWaalsContact C-N 3.29Å; E309-S311 PolarHBondContact O-N 3.45Å; S311-S315 PolarHBondContact O-N 2.76Å; S311-G370 VanDerWaalsContact CB-CA 3.49Å; S311-E373 PolarHBondContact OG-OE2 3.08Å
312M95.9Very high96.7Very high71 Ų7168 Ų6835%0.3533%0.326SS..Hα-helixtrans-74.6-36.8176.3-16163.758.800113A308 E309 R310 S315 T316 A367 R371A308-M312 PolarHBondContact O-N 3.36Å; A308-M312 VanDerWaalsContact O-N 3.11Å; E309-M312 CarbonylContact O-C 3.58Å; E309-M312 WeakPolarHBondContact O-CA 3.3Å; E309-M312 WeakPolarHBondContact O-CB 3.43Å; E309-M312 PolarHBondContact O-N 2.97Å; R310-M312 VanDerWaalsContact C-N 3.27Å; R310-M312 PolarHBondContact O-N 3.17Å; M312-S315 WeakPolarHBondContact O-CB 3.22Å; M312-S315 PolarHBondContact O-N 2.93Å; M312-T316 PolarHBondContact O-N 2.93Å; M312-T316 VanDerWaalsContact O-N 3.12Å; M312-T316 PolarHBondContact O-OG1 2.95Å; M312-T316 VanDerWaalsContact O-OG1 3.11Å; M312-A367 HydrophobicContact SD-CB 4.14Å; M312-R371 HydrophobicContact CE-CG 3.99Å
313E96.8Very high96.6Very high113 Ų11372.7 Ų72.753%0.52834%0.339SS..Hα-helixtrans-62.4-46.7172.5-71.5174.1170.400110.7E309 R310 S315 T316 D317E309-E313 WeakPolarHBondContact O-CG 3.38Å; E309-E313 PolarHBondContact O-N 3.44Å; R310-E313 PolarHBondContact O-N 3.24Å; E313-S315 VanDerWaalsContact C-N 3.26Å; E313-S315 PolarHBondContact O-N 2.89Å; E313-T316 CarbonylContact O-C 3.59Å; E313-T316 WeakPolarHBondContact O-CA 3.47Å; E313-T316 VanDerWaalsContact O-CB 3.27Å; E313-T316 WeakPolarHBondContact O-CB 3.28Å; E313-T316 PolarHBondContact O-N 2.78Å; E313-D317 PolarHBondContact O-N 3.45Å
314N96.8Very high96.5Very high70 Ų7070 Ų7037%0.37433%0.334SS..Hα-helixtrans-56.3-40.9174.9179.746.1000112.1R310 T316 D317 L318R310-N314 WeakPolarHBondContact O-CB 3.28Å; R310-N314 PolarHBondContact O-N 3.37Å; N314-T316 VanDerWaalsContact C-N 3.3Å; N314-T316 PolarHBondContact O-N 2.9Å; N314-D317 PolarHBondContact O-N 3.48Å; N314-L318 WeakPolarHBondContact O-CB 3.37Å; N314-L318 WeakPolarHBondContact O-CD1 3.36Å; N314-L318 VanDerWaalsContact O-CG 3.22Å; N314-L318 WeakPolarHBondContact O-CG 3.5Å; N314-L318 PolarHBondContact O-N 3.38Å
315S97.6Very high96.2Very high13 Ų1370.6 Ų70.69%0.09134%0.336CS..Hα-helixtrans-57.3-43.8171.7156.10000112.3S311 M312 E313 L318 V319 S363 A367S311-S315 PolarHBondContact O-N 2.76Å; M312-S315 WeakPolarHBondContact O-CB 3.22Å; M312-S315 PolarHBondContact O-N 2.93Å; E313-S315 VanDerWaalsContact C-N 3.26Å; E313-S315 PolarHBondContact O-N 2.89Å; S315-L318 PolarHBondContact O-N 3.19Å; S315-V319 PolarHBondContact O-N 3.16Å; S315-V319 VanDerWaalsContact O-N 3.11Å; S315-S363 WeakPolarHBondContact CB-O 3.42Å; S315-S363 WeakPolarHBondContact O-CB 3.49Å; S315-S363 PolarHBondContact O-OG 3.11Å; S315-S363 PolarHBondContact OG-O 3.43Å; S315-S363 PolarHBondContact OG-OG 3.41Å; S315-S363 VanDerWaalsContact OG-OG 3.05Å; S315-A367 WeakPolarHBondContact OG-CB 3.41Å
316T97.3Very high96.1Very high86 Ų8670 Ų7053%0.52834%0.338SS..Hα-helixtrans-65.2-43.9179.6-56.10000111.2M312 E313 N314 V319 Q320M312-T316 PolarHBondContact O-N 2.93Å; M312-T316 VanDerWaalsContact O-N 3.12Å; M312-T316 PolarHBondContact O-OG1 2.95Å; M312-T316 VanDerWaalsContact O-OG1 3.11Å; E313-T316 CarbonylContact O-C 3.59Å; E313-T316 WeakPolarHBondContact O-CA 3.47Å; E313-T316 VanDerWaalsContact O-CB 3.27Å; E313-T316 WeakPolarHBondContact O-CB 3.28Å; E313-T316 PolarHBondContact O-N 2.78Å; N314-T316 VanDerWaalsContact C-N 3.3Å; N314-T316 PolarHBondContact O-N 2.9Å; T316-V319 PolarHBondContact O-N 3.12Å; T316-Q320 PolarHBondContact O-N 3.25Å
317D97.9Very high95.8Very high107 Ų10767.7 Ų67.757%0.57234%0.338SS*.Hα-helixtrans-63.3-42.3177.6-69-19.5000111.7E313 N314 V319 Q320 F321E313-D317 PolarHBondContact O-N 3.45Å; N314-D317 PolarHBondContact O-N 3.48Å; D317-V319 PolarHBondContact O-N 3.25Å; D317-Q320 PolarHBondContact O-N 3.3Å; D317-F321 WeakPolarHBondContact O-CB 3.44Å; D317-F321 PolarHBondContact O-N 2.71Å
318L96.9Very high95.5Very high14 Ų1469.2 Ų69.27%0.07335%0.347CS..Hα-helixtrans-62.5-41.4176.6-73164.6000112.2N314 S315 G322 F359 L362 A366 M493N314-L318 WeakPolarHBondContact O-CB 3.37Å; N314-L318 WeakPolarHBondContact O-CD1 3.36Å; N314-L318 VanDerWaalsContact O-CG 3.22Å; N314-L318 WeakPolarHBondContact O-CG 3.5Å; N314-L318 PolarHBondContact O-N 3.38Å; S315-L318 PolarHBondContact O-N 3.19Å; L318-G322 PolarHBondContact O-N 3.37Å; L318-F359 HydrophobicContact CD2-CD1 3.75Å; L318-F359 HydrophobicContact CD2-CE1 3.9Å; L318-L362 HydrophobicContact CD1-CB 4.02Å; L318-L362 HydrophobicContact CD2-CB 4.23Å; L318-L362 HydrophobicContact CD2-CD1 4.44Å; L318-A366 HydrophobicContact CD1-CB 4.01Å; L318-M493 HydrophobicContact CD1-CE 3.98Å
319V96.9Very high95Very high44 Ų4469.5 Ų69.527%0.26735%0.35SS..Hα-helixtrans-61.5-46.7172.5161.90000110.8S315 T316 D317 F321 G322 R323 S363S315-V319 PolarHBondContact O-N 3.16Å; S315-V319 VanDerWaalsContact O-N 3.11Å; T316-V319 PolarHBondContact O-N 3.12Å; D317-V319 PolarHBondContact O-N 3.25Å; V319-F321 VanDerWaalsContact C-N 3.35Å; V319-G322 PolarHBondContact O-N 2.98Å; V319-R323 HydrophobicContact CG1-CG 4.44Å; V319-R323 WeakPolarHBondContact O-CG 3.42Å; V319-R323 PolarHBondContact O-N 3.41Å; V319-S363 VanDerWaalsContact CG2-CB 3.49Å; V319-S363 WeakPolarHBondContact CG2-OG 3.35Å
320Q96.8Very high94.6Very high84 Ų8468 Ų6839%0.39335%0.35SS..Hα-helixtrans-65.5-42.1-177.7-170.459.329.900111T316 D317 G322 R323 E324T316-Q320 PolarHBondContact O-N 3.25Å; D317-Q320 PolarHBondContact O-N 3.3Å; Q320-G322 PolarHBondContact O-N 3.19Å; Q320-R323 WeakPolarHBondContact O-CB 3.5Å; Q320-R323 PolarHBondContact O-N 3.44Å; Q320-E324 PolarHBondContact NE2-OE1 3Å; Q320-E324 WeakPolarHBondContact O-CG 3.28Å; Q320-E324 PolarHBondContact O-N 2.97Å
321F95.9Very high94Very high112 Ų11264.1 Ų64.149%0.49134%0.341SS..Hα-helixtrans-59.1-48174.7-168.9-88.1000111.7D317 V319 R323 E324 L325 F359D317-F321 WeakPolarHBondContact O-CB 3.44Å; D317-F321 PolarHBondContact O-N 2.71Å; V319-F321 VanDerWaalsContact C-N 3.35Å; F321-R323 VanDerWaalsContact C-N 3.29Å; F321-R323 PolarHBondContact O-N 3.02Å; F321-E324 PolarHBondContact O-N 3.43Å; F321-L325 HydrophobicContact CD1-CD1 3.92Å; F321-L325 HydrophobicContact CD1-CG 4.08Å; F321-L325 HydrophobicContact CE1-CD1 3.69Å; F321-L325 HydrophobicContact CE1-CD2 4.12Å; F321-L325 HydrophobicContact CE1-CG 3.91Å; F321-L325 PolarHBondContact O-N 3.49Å; F321-L325 VanDerWaalsContact O-N 3.07Å; F321-F359 HydrophobicContact CB-CD1 4.24Å; F321-F359 HydrophobicContact CB-CE1 4.37Å; F321-F359 AromaticContact CD1-CD1 3.55Å; F321-F359 HydrophobicContact CD1-CD1 3.55Å; F321-F359 HydrophobicContact CD1-CD2 4.34Å; F321-F359 AromaticContact CD1-CE1 3.18Å; F321-F359 HydrophobicContact CD1-CE1 3.18Å; F321-F359 HydrophobicContact CD1-CE2 4.04Å; F321-F359 HydrophobicContact CD1-CG 4.12Å; F321-F359 AromaticContact CD1-CZ 3.45Å; F321-F359 HydrophobicContact CD1-CZ 3.45Å; F321-F359 VanDerWaalsContact CD1-CZ 3.45Å; F321-F359 HydrophobicContact CE1-CD1 4.34Å; F321-F359 AromaticContact CE1-CE1 3.61Å; F321-F359 HydrophobicContact CE1-CE1 3.61Å; F321-F359 AromaticContact CE1-CE2 3.93Å; F321-F359 HydrophobicContact CE1-CE2 3.93Å; F321-F359 AromaticContact CE1-CZ 3.36Å; F321-F359 HydrophobicContact CE1-CZ 3.36Å; F321-F359 HydrophobicContact CG-CD1 4.26Å; F321-F359 AromaticContact CG-CE1 3.97Å; F321-F359 HydrophobicContact CG-CE1 3.97Å; F321-F359 HydrophobicContact CZ-CZ 4.45Å
322G94.9Very high93.1Very high5 Ų567.5 Ų67.55%0.05237%0.37CS..Hα-helixtrans-59-38.8175.300000112.8L318 V319 Q320 L325 S326 S356L318-G322 PolarHBondContact O-N 3.37Å; V319-G322 PolarHBondContact O-N 2.98Å; Q320-G322 PolarHBondContact O-N 3.19Å; G322-L325 PolarHBondContact O-N 3.02Å; G322-S326 WeakPolarHBondContact O-CB 3.22Å; G322-S326 PolarHBondContact O-N 3.17Å; G322-S356 WeakPolarHBondContact O-CB 3.35Å
323R95.4Very high92.4Very high154 Ų15467.3 Ų67.358%0.58138%0.376SS*.Hα-helixtrans-61.9-43.8175.5-75.4172.6-180174.50.9112.4V319 Q320 F321 S326 A327V319-R323 HydrophobicContact CG1-CG 4.44Å; V319-R323 WeakPolarHBondContact O-CG 3.42Å; V319-R323 PolarHBondContact O-N 3.41Å; Q320-R323 WeakPolarHBondContact O-CB 3.5Å; Q320-R323 PolarHBondContact O-N 3.44Å; F321-R323 VanDerWaalsContact C-N 3.29Å; F321-R323 PolarHBondContact O-N 3.02Å; R323-S326 WeakPolarHBondContact O-CB 3.35Å; R323-S326 PolarHBondContact O-N 3.36Å; R323-A327 WeakPolarHBondContact O-CB 3.39Å; R323-A327 PolarHBondContact O-N 3.1Å
324E95.5Very high91.2Very high112 Ų11267.6 Ų67.652%0.52339%0.387SS..Hα-helixtrans-64.2-40.5177-61.6-52.8150.400111.7Q320 F321 S326 A327 L328Q320-E324 PolarHBondContact NE2-OE1 3Å; Q320-E324 WeakPolarHBondContact O-CG 3.28Å; Q320-E324 PolarHBondContact O-N 2.97Å; F321-E324 PolarHBondContact O-N 3.43Å; E324-S326 VanDerWaalsContact C-N 3.33Å; E324-S326 PolarHBondContact O-N 3.07Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-L328 WeakPolarHBondContact O-CB 3.39Å; E324-L328 PolarHBondContact O-N 3.46Å
325L91.8Very high90.1Very high22 Ų2267.8 Ų67.812%0.11539%0.388CS..Hα-helixtrans-60.4-43.1173.1-66.7-177.2000112F321 G322 L328 G329 L352 L355 F359F321-L325 HydrophobicContact CD1-CD1 3.92Å; F321-L325 HydrophobicContact CD1-CG 4.08Å; F321-L325 HydrophobicContact CE1-CD1 3.69Å; F321-L325 HydrophobicContact CE1-CD2 4.12Å; F321-L325 HydrophobicContact CE1-CG 3.91Å; F321-L325 PolarHBondContact O-N 3.49Å; F321-L325 VanDerWaalsContact O-N 3.07Å; G322-L325 PolarHBondContact O-N 3.02Å; L325-L328 PolarHBondContact O-N 3.4Å; L325-G329 PolarHBondContact O-N 3.12Å; L325-L352 HydrophobicContact CD2-CD2 3.95Å; L325-L355 HydrophobicContact CD1-CB 4.33Å; L325-L355 HydrophobicContact CD1-CD2 3.76Å; L325-L355 HydrophobicContact CD1-CG 3.73Å; L325-F359 HydrophobicContact CD1-CD2 3.91Å; L325-F359 HydrophobicContact CD1-CE2 3.92Å
326S93.4Very high89Confident39 Ų3971.5 Ų71.527%0.27341%0.412SS..Hα-helixtrans-65.6-39.3177.8-170.10000112G322 R323 E324 G329 S330G322-S326 WeakPolarHBondContact O-CB 3.22Å; G322-S326 PolarHBondContact O-N 3.17Å; R323-S326 WeakPolarHBondContact O-CB 3.35Å; R323-S326 PolarHBondContact O-N 3.36Å; E324-S326 VanDerWaalsContact C-N 3.33Å; E324-S326 PolarHBondContact O-N 3.07Å; S326-G329 PolarHBondContact O-N 3.13Å; S326-S330 VanDerWaalsContact O-CB 3.24Å; S326-S330 WeakPolarHBondContact O-CB 3.41Å; S326-S330 PolarHBondContact O-N 2.83Å; S326-S330 PolarHBondContact O-OG 3.47Å
327A93.1Very high87.6Confident58 Ų5873.9 Ų73.948%0.47943%0.432SS..Hα-helixtrans-63.8-47.617700000110.5R323 E324 G329 S330 D331R323-A327 WeakPolarHBondContact O-CB 3.39Å; R323-A327 PolarHBondContact O-N 3.1Å; E324-A327 PolarHBondContact O-N 2.94Å; A327-G329 PolarHBondContact O-N 3.31Å; A327-S330 PolarHBondContact O-N 3.24Å; A327-D331 PolarHBondContact O-N 3.06Å
328L88.9Confident86Confident80 Ų8077 Ų7742%0.41945%0.448SS..Hα-helixtrans-62.1-42.2175.8-174.660.8000112.2E324 L325 S330 D331 W345 L352E324-L328 WeakPolarHBondContact O-CB 3.39Å; E324-L328 PolarHBondContact O-N 3.46Å; L325-L328 PolarHBondContact O-N 3.4Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 2.94Å; L328-D331 PolarHBondContact O-N 3.08Å; L328-W345 HydrophobicContact CD1-CH2 3.84Å; L328-W345 HydrophobicContact CD1-CZ2 4.23Å; L328-W345 HydrophobicContact CD2-CH2 4.47Å; L328-W345 HydrophobicContact CG-CH2 4.04Å; L328-L352 HydrophobicContact CB-CD1 4.48Å; L328-L352 HydrophobicContact CD2-CD1 3.73Å; L328-L352 HydrophobicContact CG-CD1 3.89Å
329G86.8Confident84.4Confident10 Ų1078.2 Ų78.210%0.10346%0.46CS..Hα-helixtrans-69-23.2177.500000114.2L325 S326 A327 R349L325-G329 PolarHBondContact O-N 3.12Å; S326-G329 PolarHBondContact O-N 3.13Å; A327-G329 PolarHBondContact O-N 3.31Å; G329-R349 VanDerWaalsContact CA-O 3.25Å; G329-R349 WeakPolarHBondContact CA-O 3.36Å; G329-R349 WeakPolarHBondContact O-CB 3.27Å
330S87.3Confident82.7Confident65 Ų6579.5 Ų79.546%0.45547%0.471SS..THydrogen-bonded Turntrans-96.7-1.1-179.4-54.90000113.5S326 A327 L328 A332S326-S330 VanDerWaalsContact O-CB 3.24Å; S326-S330 WeakPolarHBondContact O-CB 3.41Å; S326-S330 PolarHBondContact O-N 2.83Å; S326-S330 PolarHBondContact O-OG 3.47Å; A327-S330 PolarHBondContact O-N 3.24Å; L328-S330 VanDerWaalsContact C-N 3.27Å; L328-S330 PolarHBondContact O-N 2.94Å; S330-A332 PolarHBondContact O-N 3.33Å; S330-A332 VanDerWaalsContact O-N 3.15Å
331D82.9Confident80.8Confident70 Ų7081.8 Ų81.837%0.37450%0.496SS..  trans-64.3114.9176.8-174.63.3000110.5A327 L328 S333 R349A327-D331 PolarHBondContact O-N 3.06Å; L328-D331 PolarHBondContact O-N 3.08Å; D331-S333 VanDerWaalsContact C-N 3.35Å; D331-S333 WeakPolarHBondContact OD1-CB 3.32Å; D331-S333 PolarHBondContact OD1-N 3.04Å; D331-S333 PolarHBondContact OD1-OG 3.48Å; D331-R349 VanDerWaalsContact O-CD 3.28Å; D331-R349 WeakPolarHBondContact O-CD 3.33Å; D331-R349 PolarHBondContact O-NH1 2.99Å
332A76.1Confident79.1Confident88 Ų8884.8 Ų84.873%0.72751%0.512SS*.  trans-91.14.1-178.600000113.1S330S330-A332 PolarHBondContact O-N 3.33Å; S330-A332 VanDerWaalsContact O-N 3.15Å
333S81.4Confident77.7Confident67 Ų6787.1 Ų87.147%0.46953%0.527SS..PPolyproline II helixtrans-54.5131.9-179.6-61.80000111.1D331D331-S333 VanDerWaalsContact C-N 3.35Å; D331-S333 WeakPolarHBondContact OD1-CB 3.32Å; D331-S333 PolarHBondContact OD1-N 3.04Å; D331-S333 PolarHBondContact OD1-OG 3.48Å
334P72.1Confident76.6Confident119 Ų11984 Ų8477%0.77353%0.529SS*.PPolyproline II helixtrans-67140-179.627.1-32.8000110
335L72.9Confident75.7Confident74 Ų7482.1 Ų82.139%0.38752%0.517SS..PPolyproline II helixtrans-62.9132.9173-85.1136.5000109.6A339 S343 W345L335-A339 HydrophobicContact CB-CB 4.47Å; L335-A339 HydrophobicContact CD2-CB 3.84Å; L335-S343 WeakPolarHBondContact CD1-OG 3.37Å; L335-W345 HydrophobicContact CD1-CB 4.31Å; L335-W345 HydrophobicContact CD2-CB 4.28Å; L335-W345 HydrophobicContact CD2-CG 4.38Å
336P75.2Confident75Confident92 Ų9282.9 Ų82.960%0.59753%0.53SS*.PPolyproline II helixtrans-57.2148173.8-2433.2000111.5L338 A339P336-L338 PolarHBondContact O-N 3.11Å; P336-L338 VanDerWaalsContact O-N 3.07Å; P336-A339 VanDerWaalsContact O-CB 3.26Å; P336-A339 WeakPolarHBondContact O-CB 3.4Å; P336-A339 PolarHBondContact O-N 3.21Å
337S66.8Low74.3Confident136 Ų13685.5 Ų85.595%0.95155%0.545SS*.THydrogen-bonded Turntrans-62.2-16.517855.60000114.4A339S337-A339 VanDerWaalsContact C-N 3.31Å
338L64.6Low73.7Confident171 Ų17184.8 Ų84.890%0.89553%0.533SS*.THydrogen-bonded Turntrans-76.9-17.2172.9-161.372.6000112.6P336P336-L338 PolarHBondContact O-N 3.11Å; P336-L338 VanDerWaalsContact O-N 3.07Å
339A64Low73.5Confident40 Ų4083.5 Ų83.533%0.33152%0.522SS..SBendtrans-78.1129.7174.800000109.8L335 P336 S337L335-A339 HydrophobicContact CB-CB 4.47Å; L335-A339 HydrophobicContact CD2-CB 3.84Å; P336-A339 VanDerWaalsContact O-CB 3.26Å; P336-A339 WeakPolarHBondContact O-CB 3.4Å; P336-A339 PolarHBondContact O-N 3.21Å; S337-A339 VanDerWaalsContact C-N 3.31Å
340S61.6Low73.2Confident71 Ų7189 Ų8950%0.49755%0.545SS..  trans-49.7142.3-179167.40000112.9Q342 S343S340-Q342 PolarHBondContact O-N 3.36Å; S340-Q342 PolarHBondContact OG-N 3.01Å; S340-S343 PolarHBondContact O-N 2.59Å; S340-S343 VanDerWaalsContact O-N 3.11Å
341S56.3Low73Confident132 Ų13287.2 Ų87.292%0.92353%0.533SS*.THydrogen-bonded Turntrans-60.8-3.4170.3340000114.3
342Q59Low73.2Confident176 Ų17684.8 Ų84.882%0.82252%0.52SS*.THydrogen-bonded Turntrans-104.424.3172.7-62.6-179.4-18.100113.6S340 S344S340-Q342 PolarHBondContact O-N 3.36Å; S340-Q342 PolarHBondContact OG-N 3.01Å; Q342-S344 PolarHBondContact O-N 3.11Å
343S65.8Low73.7Confident54 Ų5484.7 Ų84.738%0.37850%0.503SS..  trans-65.4119.2-176.675.80000112.5L335 S340 W345L335-S343 WeakPolarHBondContact CD1-OG 3.37Å; S340-S343 PolarHBondContact O-N 2.59Å; S340-S343 VanDerWaalsContact O-N 3.11Å; S343-W345 PolarHBondContact O-N 3.16Å
344S72.9Confident73.9Confident89 Ų8984 Ų8462%0.62250%0.498SS*.THydrogen-bonded Turntrans-72.72.3171.256.20000113.7Q342 G346 T347 L348Q342-S344 PolarHBondContact O-N 3.11Å; S344-G346 VanDerWaalsContact C-N 3.34Å; S344-G346 PolarHBondContact O-N 3.18Å; S344-T347 PolarHBondContact O-N 3.36Å; S344-L348 PolarHBondContact O-N 3.06Å
345W77Confident74.7Confident71 Ų7179.2 Ų79.227%0.26947%0.466SS..Hα-helixtrans-60.5-36-173.4-178.6-120.5000114L328 L335 S343 L348 R349L328-W345 HydrophobicContact CD1-CH2 3.84Å; L328-W345 HydrophobicContact CD1-CZ2 4.23Å; L328-W345 HydrophobicContact CD2-CH2 4.47Å; L328-W345 HydrophobicContact CG-CH2 4.04Å; L335-W345 HydrophobicContact CD1-CB 4.31Å; L335-W345 HydrophobicContact CD2-CB 4.28Å; L335-W345 HydrophobicContact CD2-CG 4.38Å; S343-W345 PolarHBondContact O-N 3.16Å; W345-L348 HydrophobicContact CE3-CB 4.29Å; W345-L348 HydrophobicContact CE3-CD2 3.74Å; W345-L348 HydrophobicContact CE3-CG 4.17Å; W345-L348 HydrophobicContact CZ3-CD2 3.67Å; W345-L348 HydrophobicContact CZ3-CG 4.07Å; W345-L348 PolarHBondContact O-N 2.84Å; W345-R349 HydrophobicContact CD2-CG 4.17Å; W345-R349 HydrophobicContact CH2-CG 4.31Å; W345-R349 HydrophobicContact CZ2-CG 3.71Å; W345-R349 WeakPolarHBondContact O-CB 3.32Å; W345-R349 WeakPolarHBondContact O-CG 3.36Å; W345-R349 PolarHBondContact O-N 3.37Å
346G77.7Confident75.6Confident38 Ų3876.3 Ų76.339%0.39245%0.452SS..Hα-helixtrans-61.6-47.3175.200000112.5S344 R349 Q350S344-G346 VanDerWaalsContact C-N 3.34Å; S344-G346 PolarHBondContact O-N 3.18Å; G346-R349 PolarHBondContact O-N 3.4Å; G346-Q350 PolarHBondContact O-N 3.1Å
347T77.8Confident76.3Confident95 Ų9577.8 Ų77.858%0.58345%0.451SS*.Hα-helixtrans-65.7-39.3176.7-49.50000111.7S344 Q350 S351S344-T347 PolarHBondContact O-N 3.36Å; T347-Q350 PolarHBondContact O-N 3.21Å; T347-S351 WeakPolarHBondContact O-CB 3.3Å; T347-S351 PolarHBondContact O-N 3.19Å; T347-S351 PolarHBondContact O-OG 2.88Å
348L80.3Confident77.4Confident42 Ų4272.7 Ų72.722%0.2241%0.412CS..Hα-helixtrans-62.4-45.5176.1-179.353.2000111.2S344 W345 Q350 S351 L352 L507S344-L348 PolarHBondContact O-N 3.06Å; W345-L348 HydrophobicContact CE3-CB 4.29Å; W345-L348 HydrophobicContact CE3-CD2 3.74Å; W345-L348 HydrophobicContact CE3-CG 4.17Å; W345-L348 HydrophobicContact CZ3-CD2 3.67Å; W345-L348 HydrophobicContact CZ3-CG 4.07Å; W345-L348 PolarHBondContact O-N 2.84Å; L348-Q350 PolarHBondContact O-N 3.14Å; L348-S351 PolarHBondContact O-N 3.32Å; L348-L352 HydrophobicContact CD1-CD1 4.24Å; L348-L352 HydrophobicContact CD1-CD2 4.47Å; L348-L352 HydrophobicContact CD1-CG 4.07Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.39Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.86Å; L348-L507 HydrophobicContact CD1-CD2 3.36Å
349R84.3Confident78.8Confident53 Ų5365.4 Ų65.420%0.237%0.373CS..Hα-helixtrans-56.9-49.3176.1-83.7-174.3-69.9172.3-0.6112.9G329 D331 W345 G346 S351 L352 K353G329-R349 VanDerWaalsContact CA-O 3.25Å; G329-R349 WeakPolarHBondContact CA-O 3.36Å; G329-R349 WeakPolarHBondContact O-CB 3.27Å; D331-R349 VanDerWaalsContact O-CD 3.28Å; D331-R349 WeakPolarHBondContact O-CD 3.33Å; D331-R349 PolarHBondContact O-NH1 2.99Å; W345-R349 HydrophobicContact CD2-CG 4.17Å; W345-R349 HydrophobicContact CH2-CG 4.31Å; W345-R349 HydrophobicContact CZ2-CG 3.71Å; W345-R349 WeakPolarHBondContact O-CB 3.32Å; W345-R349 WeakPolarHBondContact O-CG 3.36Å; W345-R349 PolarHBondContact O-N 3.37Å; G346-R349 PolarHBondContact O-N 3.4Å; R349-S351 VanDerWaalsContact C-N 3.27Å; R349-S351 PolarHBondContact O-N 3.05Å; R349-L352 PolarHBondContact O-N 3.21Å; R349-K353 PolarHBondContact O-N 3.17Å
350Q82.2Confident80.3Confident125 Ų12566.1 Ų66.158%0.58438%0.379SS*.Hα-helixtrans-62-37.9178.2-176.457.943.400111.9G346 T347 L348 K353 S354G346-Q350 PolarHBondContact O-N 3.1Å; T347-Q350 PolarHBondContact O-N 3.21Å; L348-Q350 PolarHBondContact O-N 3.14Å; Q350-K353 PolarHBondContact O-N 3.02Å; Q350-S354 PolarHBondContact O-N 2.73Å
351S83.1Confident81.9Confident28 Ų2865.7 Ų65.720%0.19637%0.374CS..Hα-helixtrans-74.4-35.2-179.8-56.90000112.3T347 L348 R349 K353 S354 L355T347-S351 WeakPolarHBondContact O-CB 3.3Å; T347-S351 PolarHBondContact O-N 3.19Å; T347-S351 PolarHBondContact O-OG 2.88Å; L348-S351 PolarHBondContact O-N 3.32Å; R349-S351 VanDerWaalsContact C-N 3.27Å; R349-S351 PolarHBondContact O-N 3.05Å; S351-K353 VanDerWaalsContact C-N 3.3Å; S351-K353 PolarHBondContact O-N 2.99Å; S351-S354 PolarHBondContact O-N 2.94Å; S351-L355 VanDerWaalsContact O-CB 3.31Å; S351-L355 WeakPolarHBondContact O-CB 3.12Å; S351-L355 PolarHBondContact O-N 3.43Å
352L87.1Confident83.8Confident19 Ų1959.4 Ų59.410%0.09933%0.33CS..Hα-helixtrans-62.5-38.4171-71.8169000111.6L325 L328 L348 R349 L355 S356L325-L352 HydrophobicContact CD2-CD2 3.95Å; L328-L352 HydrophobicContact CB-CD1 4.48Å; L328-L352 HydrophobicContact CD2-CD1 3.73Å; L328-L352 HydrophobicContact CG-CD1 3.89Å; L348-L352 HydrophobicContact CD1-CD1 4.24Å; L348-L352 HydrophobicContact CD1-CD2 4.47Å; L348-L352 HydrophobicContact CD1-CG 4.07Å; L348-L352 HydrophobicContact CG-CD1 4.08Å; L348-L352 HydrophobicContact CG-CG 4.39Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 2.86Å; R349-L352 PolarHBondContact O-N 3.21Å; L352-L355 PolarHBondContact O-N 2.74Å; L352-S356 PolarHBondContact O-N 2.75Å
353K85.8Confident85.6Confident86 Ų8651.4 Ų51.437%0.37429%0.293SS..Hα-helixtrans-67.9-37.1173.4-173.3176.7178.91780112.6R349 Q350 S351 L355 S356R349-K353 PolarHBondContact O-N 3.17Å; Q350-K353 PolarHBondContact O-N 3.02Å; S351-K353 VanDerWaalsContact C-N 3.3Å; S351-K353 PolarHBondContact O-N 2.99Å; K353-L355 VanDerWaalsContact C-N 3.34Å; K353-S356 PolarHBondContact O-OG 2.89Å
354S85.3Confident87.1Confident53 Ų5352 Ų5237%0.37129%0.292SS..Hα-helixtrans-68.2-36.8172.6-178.40000111.7Q350 S351 S356 E357Q350-S354 PolarHBondContact O-N 2.73Å; S351-S354 PolarHBondContact O-N 2.94Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.01Å; S354-E357 PolarHBondContact O-N 3.05Å
355L88.2Confident88.2Confident18 Ų1850.3 Ų50.39%0.09427%0.273CS..Hα-helixtrans-65.9-34.9178.3-176.960.2000112.2L325 S351 L352 K353 E357 E358 F359 L500 L504 L507L325-L355 HydrophobicContact CD1-CB 4.33Å; L325-L355 HydrophobicContact CD1-CD2 3.76Å; L325-L355 HydrophobicContact CD1-CG 3.73Å; S351-L355 VanDerWaalsContact O-CB 3.31Å; S351-L355 WeakPolarHBondContact O-CB 3.12Å; S351-L355 PolarHBondContact O-N 3.43Å; L352-L355 PolarHBondContact O-N 2.74Å; K353-L355 VanDerWaalsContact C-N 3.34Å; L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.25Å; L355-E358 WeakPolarHBondContact O-CB 3.41Å; L355-E358 PolarHBondContact O-N 3.24Å; L355-F359 HydrophobicContact CD1-CD2 4.35Å; L355-F359 HydrophobicContact CD1-CE2 4.07Å; L355-F359 HydrophobicContact CG-CD2 4.23Å; L355-F359 HydrophobicContact CG-CE2 4.05Å; L355-F359 WeakPolarHBondContact O-CD2 3.47Å; L355-F359 PolarHBondContact O-N 2.96Å; L355-L500 HydrophobicContact CD1-CD1 3.18Å; L355-L500 HydrophobicContact CD1-CD2 3.79Å; L355-L500 HydrophobicContact CD1-CG 3.76Å; L355-L504 HydrophobicContact CD1-CD2 4.19Å; L355-L504 HydrophobicContact CD2-CD2 4.04Å; L355-L507 HydrophobicContact CD2-CD1 4.17Å
356S91.8Very high89.1Confident13 Ų1347 Ų479%0.09126%0.261CS..Hα-helixtrans-62.6-32.5179.564.50000113.5G322 L352 K353 S354 E358 F359 A360G322-S356 WeakPolarHBondContact O-CB 3.35Å; L352-S356 PolarHBondContact O-N 2.75Å; K353-S356 PolarHBondContact O-OG 2.89Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.01Å; S356-E358 VanDerWaalsContact C-N 3.32Å; S356-E358 PolarHBondContact O-N 3.23Å; S356-F359 PolarHBondContact O-N 3.42Å; S356-A360 PolarHBondContact O-N 3.28Å
357E90.1Very high90Very high123 Ų12345.6 Ų45.658%0.57525%0.246SC*.Hα-helixtrans-64.2-38176.9-65.4176176.600111.3S354 L355 F359 A360 V361S354-E357 PolarHBondContact O-N 3.05Å; L355-E357 VanDerWaalsContact C-N 3.27Å; L355-E357 PolarHBondContact O-N 3.25Å; E357-F359 PolarHBondContact O-N 3.1Å; E357-A360 WeakPolarHBondContact O-CB 3.35Å; E357-A360 PolarHBondContact O-N 3.46Å; E357-A360 VanDerWaalsContact O-N 3.16Å; E357-V361 PolarHBondContact O-N 3.32Å
358E91.3Very high90.9Very high30 Ų3043.5 Ų43.514%0.1423%0.229CC..Hα-helixtrans-67.2-35.9176.9-56.8-65.9163.900112L355 S356 A360 V361 L362 L500 K503L355-E358 WeakPolarHBondContact O-CB 3.41Å; L355-E358 PolarHBondContact O-N 3.24Å; S356-E358 VanDerWaalsContact C-N 3.32Å; S356-E358 PolarHBondContact O-N 3.23Å; E358-A360 VanDerWaalsContact C-N 3.26Å; E358-A360 PolarHBondContact O-N 2.96Å; E358-V361 WeakPolarHBondContact O-CB 3.45Å; E358-V361 PolarHBondContact O-N 3.08Å; E358-V361 VanDerWaalsContact O-N 3.09Å; E358-L362 PolarHBondContact O-N 3.49Å; E358-L500 HydrophobicContact CB-CD1 3.55Å; E358-L500 HydrophobicContact CG-CD1 3.58Å; E358-K503 IonicContact OE1-NZ 3.98Å; E358-K503 PolarHBondContact OE1-NZ 3.21Å; E358-K503 IonicContact OE2-NZ 3.14Å
359F94Very high91.7Very high17 Ų1742.2 Ų42.28%0.07522%0.222CC..Hα-helixtrans-65.5-28.4173.5-87.6-96.6000112.9L318 F321 L325 L355 S356 E357 L362 S363 W497 L500L318-F359 HydrophobicContact CD2-CD1 3.75Å; L318-F359 HydrophobicContact CD2-CE1 3.9Å; F321-F359 HydrophobicContact CB-CD1 4.24Å; F321-F359 HydrophobicContact CB-CE1 4.37Å; F321-F359 AromaticContact CD1-CD1 3.55Å; F321-F359 HydrophobicContact CD1-CD1 3.55Å; F321-F359 HydrophobicContact CD1-CD2 4.34Å; F321-F359 AromaticContact CD1-CE1 3.18Å; F321-F359 HydrophobicContact CD1-CE1 3.18Å; F321-F359 HydrophobicContact CD1-CE2 4.04Å; F321-F359 HydrophobicContact CD1-CG 4.12Å; F321-F359 AromaticContact CD1-CZ 3.45Å; F321-F359 HydrophobicContact CD1-CZ 3.45Å; F321-F359 VanDerWaalsContact CD1-CZ 3.45Å; F321-F359 HydrophobicContact CE1-CD1 4.34Å; F321-F359 AromaticContact CE1-CE1 3.61Å; F321-F359 HydrophobicContact CE1-CE1 3.61Å; F321-F359 AromaticContact CE1-CE2 3.93Å; F321-F359 HydrophobicContact CE1-CE2 3.93Å; F321-F359 AromaticContact CE1-CZ 3.36Å; F321-F359 HydrophobicContact CE1-CZ 3.36Å; F321-F359 HydrophobicContact CG-CD1 4.26Å; F321-F359 AromaticContact CG-CE1 3.97Å; F321-F359 HydrophobicContact CG-CE1 3.97Å; F321-F359 HydrophobicContact CZ-CZ 4.45Å; L325-F359 HydrophobicContact CD1-CD2 3.91Å; L325-F359 HydrophobicContact CD1-CE2 3.92Å; L355-F359 HydrophobicContact CD1-CD2 4.35Å; L355-F359 HydrophobicContact CD1-CE2 4.07Å; L355-F359 HydrophobicContact CG-CD2 4.23Å; L355-F359 HydrophobicContact CG-CE2 4.05Å; L355-F359 WeakPolarHBondContact O-CD2 3.47Å; L355-F359 PolarHBondContact O-N 2.96Å; S356-F359 PolarHBondContact O-N 3.42Å; E357-F359 PolarHBondContact O-N 3.1Å; F359-L362 HydrophobicContact CD1-CD1 4.31Å; F359-L362 HydrophobicContact CE1-CD1 4.47Å; F359-L362 HydrophobicContact CG-CD1 4.38Å; F359-S363 WeakPolarHBondContact O-CB 3.47Å; F359-S363 PolarHBondContact O-N 2.87Å; F359-W497 HydrophobicContact CE1-CH2 4.02Å; F359-W497 AromaticContact CZ-CH2 3.88Å; F359-W497 HydrophobicContact CZ-CH2 3.88Å; F359-W497 HydrophobicContact CZ-CZ3 4.17Å; F359-L500 HydrophobicContact CE2-CD2 4.41Å
360A94.3Very high92.3Very high55 Ų5539.8 Ų39.846%0.45521%0.213SC..Hα-helixtrans-68.4-36.417100000111.7S356 E357 E358 S363 D364S356-A360 PolarHBondContact O-N 3.28Å; E357-A360 WeakPolarHBondContact O-CB 3.35Å; E357-A360 PolarHBondContact O-N 3.46Å; E357-A360 VanDerWaalsContact O-N 3.16Å; E358-A360 VanDerWaalsContact C-N 3.26Å; E358-A360 PolarHBondContact O-N 2.96Å; A360-S363 WeakPolarHBondContact O-CB 3.13Å; A360-S363 PolarHBondContact O-N 3.36Å; A360-D364 PolarHBondContact O-N 3.15Å
361V95.3Very high92.9Very high63 Ų6339 Ų3938%0.38221%0.205SC..Hα-helixtrans-66.7-46.9174-1770000110.8E357 E358 S363 D364 K365 V496E357-V361 PolarHBondContact O-N 3.32Å; E358-V361 WeakPolarHBondContact O-CB 3.45Å; E358-V361 PolarHBondContact O-N 3.08Å; E358-V361 VanDerWaalsContact O-N 3.09Å; V361-S363 VanDerWaalsContact C-N 3.27Å; V361-S363 PolarHBondContact O-N 3.34Å; V361-D364 PolarHBondContact O-N 3.11Å; V361-D364 VanDerWaalsContact O-N 3.16Å; V361-K365 WeakPolarHBondContact O-CG 3.41Å; V361-K365 PolarHBondContact O-N 3.25Å; V361-V496 HydrophobicContact CG1-CG1 4.39Å; V361-V496 HydrophobicContact CG1-CG2 3.97Å
362L95.9Very high93.5Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-55.9-43.4174.7-73.4167.6000111.6L318 E358 F359 K365 A366 M493 V496 W497L318-L362 HydrophobicContact CD1-CB 4.02Å; L318-L362 HydrophobicContact CD2-CB 4.23Å; L318-L362 HydrophobicContact CD2-CD1 4.44Å; E358-L362 PolarHBondContact O-N 3.49Å; F359-L362 HydrophobicContact CD1-CD1 4.31Å; F359-L362 HydrophobicContact CE1-CD1 4.47Å; F359-L362 HydrophobicContact CG-CD1 4.38Å; L362-K365 PolarHBondContact O-N 3.33Å; L362-A366 PolarHBondContact O-N 3.05Å; L362-M493 HydrophobicContact CB-CE 4.24Å; L362-M493 HydrophobicContact CD2-CE 3.62Å; L362-M493 HydrophobicContact CD2-SD 3.96Å; L362-V496 HydrophobicContact CD1-CG1 4.44Å; L362-V496 HydrophobicContact CD2-CB 3.64Å; L362-V496 HydrophobicContact CD2-CG1 3.52Å; L362-V496 HydrophobicContact CG-CB 4.27Å; L362-V496 HydrophobicContact CG-CG1 3.58Å; L362-W497 HydrophobicContact CD1-CD2 4.18Å; L362-W497 HydrophobicContact CD1-CE3 4.08Å; L362-W497 HydrophobicContact CD1-CH2 3.42Å; L362-W497 VanDerWaalsContact CD1-CH2 3.42Å; L362-W497 HydrophobicContact CD1-CZ2 3.52Å; L362-W497 HydrophobicContact CD1-CZ3 3.72Å; L362-W497 HydrophobicContact CD2-CD2 4.08Å; L362-W497 HydrophobicContact CD2-CG 4.34Å; L362-W497 HydrophobicContact CD2-CZ2 4.1Å; L362-W497 HydrophobicContact CG-CZ2 4.43Å
363S97.1Very high93.9Very high8 Ų838.9 Ų38.96%0.05620%0.199CC..Hα-helixtrans-60.2-47.4175.9175.30000112.2S315 V319 F359 A360 V361 K365 A366 A367S315-S363 WeakPolarHBondContact CB-O 3.42Å; S315-S363 WeakPolarHBondContact O-CB 3.49Å; S315-S363 PolarHBondContact O-OG 3.11Å; S315-S363 PolarHBondContact OG-O 3.43Å; S315-S363 PolarHBondContact OG-OG 3.41Å; S315-S363 VanDerWaalsContact OG-OG 3.05Å; V319-S363 VanDerWaalsContact CG2-CB 3.49Å; V319-S363 WeakPolarHBondContact CG2-OG 3.35Å; F359-S363 WeakPolarHBondContact O-CB 3.47Å; F359-S363 PolarHBondContact O-N 2.87Å; A360-S363 WeakPolarHBondContact O-CB 3.13Å; A360-S363 PolarHBondContact O-N 3.36Å; V361-S363 VanDerWaalsContact C-N 3.27Å; V361-S363 PolarHBondContact O-N 3.34Å; S363-K365 VanDerWaalsContact C-N 3.31Å; S363-K365 PolarHBondContact O-N 3.47Å; S363-A366 PolarHBondContact O-N 2.98Å; S363-A367 WeakPolarHBondContact O-CB 3.4Å; S363-A367 PolarHBondContact O-N 2.99Å
364D96.9Very high94.4Very high66 Ų6637 Ų3735%0.35319%0.192SC..Hα-helixtrans-60.4-40.4177.2179.252.4000111.8A360 V361 A367 Q368 R371A360-D364 PolarHBondContact O-N 3.15Å; V361-D364 PolarHBondContact O-N 3.11Å; V361-D364 VanDerWaalsContact O-N 3.16Å; D364-A367 PolarHBondContact O-N 2.82Å; D364-Q368 WeakPolarHBondContact O-CB 3.5Å; D364-Q368 WeakPolarHBondContact O-CG 3.47Å; D364-Q368 PolarHBondContact O-N 3.47Å; D364-Q368 PolarHBondContact OD1-NE2 3.45Å; D364-Q368 PolarHBondContact OD2-NE2 2.86Å; D364-R371 IonicContact OD1-NH2 3.36Å
365K96.4Very high94.8Very high54 Ų5437.8 Ų37.824%0.23519%0.192CC..Hα-helixtrans-62.8-44.8174.8-63.1-45.8-176.4-175.20112.6V361 L362 S363 A367 Q368 Q369 E492 M493 V496V361-K365 WeakPolarHBondContact O-CG 3.41Å; V361-K365 PolarHBondContact O-N 3.25Å; L362-K365 PolarHBondContact O-N 3.33Å; S363-K365 VanDerWaalsContact C-N 3.31Å; S363-K365 PolarHBondContact O-N 3.47Å; K365-A367 VanDerWaalsContact C-N 3.33Å; K365-A367 PolarHBondContact O-N 2.91Å; K365-Q368 PolarHBondContact O-N 3.32Å; K365-Q369 PolarHBondContact O-N 3.33Å; K365-E492 HydrophobicContact CD-CB 4.2Å; K365-E492 HydrophobicContact CG-CB 4.33Å; K365-M493 HydrophobicContact CB-CG 4.46Å; K365-M493 HydrophobicContact CB-SD 3.71Å; K365-V496 HydrophobicContact CG-CG2 4.33Å
366A96.7Very high95.1Very high2 Ų240.4 Ų40.42%0.01721%0.206CC..Hα-helixtrans-61.4-41.7174.600000111.8L318 L362 S363 Q369 G370 M493L318-A366 HydrophobicContact CD1-CB 4.01Å; L362-A366 PolarHBondContact O-N 3.05Å; S363-A366 PolarHBondContact O-N 2.98Å; A366-Q369 PolarHBondContact O-N 3Å; A366-G370 PolarHBondContact O-N 2.92Å; A366-M493 HydrophobicContact CB-SD 4.44Å
367A97.1Very high95.3Very high7 Ų740 Ų406%0.05820%0.203CC..Hα-helixtrans-66-40.1177.300000112M312 S315 S363 D364 K365 G370 R371M312-A367 HydrophobicContact SD-CB 4.14Å; S315-A367 WeakPolarHBondContact OG-CB 3.41Å; S363-A367 WeakPolarHBondContact O-CB 3.4Å; S363-A367 PolarHBondContact O-N 2.99Å; D364-A367 PolarHBondContact O-N 2.82Å; K365-A367 VanDerWaalsContact C-N 3.33Å; K365-A367 PolarHBondContact O-N 2.91Å; A367-G370 PolarHBondContact O-N 3.42Å; A367-R371 WeakPolarHBondContact O-CG 3.43Å; A367-R371 PolarHBondContact O-N 3.05Å
368Q96.3Very high95.7Very high51 Ų5134.1 Ų34.124%0.23818%0.175CC..Hα-helixtrans-61.5-44.2174.6-75.4174.811.900111.2D364 K365 R371 R372D364-Q368 WeakPolarHBondContact O-CB 3.5Å; D364-Q368 WeakPolarHBondContact O-CG 3.47Å; D364-Q368 PolarHBondContact O-N 3.47Å; D364-Q368 PolarHBondContact OD1-NE2 3.45Å; D364-Q368 PolarHBondContact OD2-NE2 2.86Å; K365-Q368 PolarHBondContact O-N 3.32Å; Q368-R371 PolarHBondContact O-N 3.44Å; Q368-R372 WeakPolarHBondContact O-CG 3.37Å; Q368-R372 PolarHBondContact O-N 3.24Å
369Q96.2Very high95.9Very high16 Ų1634.2 Ų34.28%0.07518%0.176CC..Hα-helixtrans-59.2-48.8173.8-179.8176.9-15.700111.5K365 A366 R371 R372 E373 G489K365-Q369 PolarHBondContact O-N 3.33Å; A366-Q369 PolarHBondContact O-N 3Å; Q369-R371 VanDerWaalsContact C-N 3.33Å; Q369-R371 PolarHBondContact O-N 2.84Å; Q369-R372 PolarHBondContact O-N 3Å; Q369-E373 HydrophobicContact CG-CG 4.43Å; Q369-E373 VanDerWaalsContact CG-OE1 3.29Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.44Å; Q369-E373 PolarHBondContact NE2-OE1 2.81Å; Q369-E373 WeakPolarHBondContact O-CG 3.45Å; Q369-E373 PolarHBondContact O-N 3.47Å; Q369-G489 VanDerWaalsContact OE1-CA 3.3Å
370G96.7Very high96Very high1 Ų136.9 Ų36.91%0.0119%0.187CC..Hα-helixtrans-59.5-40.7177.900000113.1S311 A366 A367 E373 Q374S311-G370 VanDerWaalsContact CB-CA 3.49Å; A366-G370 PolarHBondContact O-N 2.92Å; A367-G370 PolarHBondContact O-N 3.42Å; G370-E373 PolarHBondContact O-N 2.8Å; G370-Q374 WeakPolarHBondContact O-CB 3.43Å; G370-Q374 PolarHBondContact O-N 3.48Å
371R95.6Very high96.2Very high108 Ų10834.3 Ų34.341%0.40817%0.166SC..Hα-helixtrans-63.4-45.6174.4-72.4-171.7-66.4-90.47.8112.4M312 D364 A367 Q368 Q369 E373 Q374 D375M312-R371 HydrophobicContact CE-CG 3.99Å; D364-R371 IonicContact OD1-NH2 3.36Å; A367-R371 WeakPolarHBondContact O-CG 3.43Å; A367-R371 PolarHBondContact O-N 3.05Å; Q368-R371 PolarHBondContact O-N 3.44Å; Q369-R371 VanDerWaalsContact C-N 3.33Å; Q369-R371 PolarHBondContact O-N 2.84Å; R371-E373 PolarHBondContact O-N 3.35Å; R371-Q374 PolarHBondContact O-N 2.73Å; R371-D375 WeakPolarHBondContact O-CB 3.15Å; R371-D375 PolarHBondContact O-N 2.56Å
372R95.3Very high96.3Very high43 Ų4332.3 Ų32.316%0.16215%0.153CC..Hα-helixtrans-60.1-44.6175.9-72.4-176.5-62.8-123.90.7111.5Q368 Q369 Q374 D375 D376 Q488 E492Q368-R372 WeakPolarHBondContact O-CG 3.37Å; Q368-R372 PolarHBondContact O-N 3.24Å; Q369-R372 PolarHBondContact O-N 3Å; R372-Q374 PolarHBondContact O-N 3.43Å; R372-D375 PolarHBondContact O-N 2.97Å; R372-D376 VanDerWaalsContact O-CB 3.27Å; R372-D376 WeakPolarHBondContact O-CB 3.5Å; R372-D376 PolarHBondContact O-N 3.43Å; R372-Q488 VanDerWaalsContact NH1-NE2 3.13Å; R372-E492 IonicContact CZ-OE1 2.73Å; R372-E492 IonicContact CZ-OE2 3.92Å; R372-E492 IonicContact NH1-OE1 3.16Å; R372-E492 PolarHBondContact NH1-OE1 3.19Å; R372-E492 VanDerWaalsContact NH1-OE1 3.13Å; R372-E492 IonicContact NH1-OE2 3.09Å; R372-E492 PolarHBondContact NH1-OE2 3.23Å; R372-E492 IonicContact NH2-OE1 2.61Å; R372-E492 IonicContact NH2-OE2 3.6Å; R372-E492 PolarHBondContact NH2-OE2 3.21Å
373E96.4Very high96.4Very high3 Ų333.2 Ų33.21%0.01416%0.157CC..Iπ-helixtrans-61.1-45.4176.6-69.8168.5179.600111.5A308 S311 Q369 G370 R371 V377 V378 S485 Q486A308-E373 VanDerWaalsContact CA-OE2 3.27Å; A308-E373 WeakPolarHBondContact CA-OE2 3.43Å; A308-E373 HydrophobicContact CB-CB 3.79Å; A308-E373 PolarHBondContact N-OE2 2.97Å; S311-E373 PolarHBondContact OG-OE2 3.08Å; Q369-E373 HydrophobicContact CG-CG 4.43Å; Q369-E373 VanDerWaalsContact CG-OE1 3.29Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.44Å; Q369-E373 PolarHBondContact NE2-OE1 2.81Å; Q369-E373 WeakPolarHBondContact O-CG 3.45Å; Q369-E373 PolarHBondContact O-N 3.47Å; G370-E373 PolarHBondContact O-N 2.8Å; R371-E373 PolarHBondContact O-N 3.35Å; E373-V377 WeakPolarHBondContact O-CA 3.3Å; E373-V377 WeakPolarHBondContact O-CB 3.3Å; E373-V377 PolarHBondContact O-N 3.12Å; E373-V377 VanDerWaalsContact O-N 3.13Å; E373-V378 PolarHBondContact O-N 3.05Å; E373-S485 WeakPolarHBondContact CG-OG 3.46Å; E373-Q486 PolarHBondContact OE1-NE2 3.27Å
374Q95.9Very high96.5Very high46 Ų4632.8 Ų32.822%0.21515%0.154CC..Iπ-helixtrans-62.1-51.7177.3-172.165.819.800111.6A308 G370 R371 R372 V378 E379A308-Q374 HydrophobicContact CB-CB 4.3Å; G370-Q374 WeakPolarHBondContact O-CB 3.43Å; G370-Q374 PolarHBondContact O-N 3.48Å; R371-Q374 PolarHBondContact O-N 2.73Å; R372-Q374 PolarHBondContact O-N 3.43Å; Q374-V378 WeakPolarHBondContact O-CB 3.47Å; Q374-V378 PolarHBondContact O-N 3.26Å; Q374-E379 WeakPolarHBondContact O-CG 3.4Å; Q374-E379 PolarHBondContact O-N 3.17Å
375D93.6Very high96.5Very high70 Ų7030 Ų3037%0.37414%0.139SC..Iπ-helixtrans-81.7-33.4-168.7-65.2-21000113.1R215 R371 R372 E379R215-D375 IonicContact CZ-OD1 2.85Å; R215-D375 VanDerWaalsContact CZ-OD1 3.28Å; R215-D375 IonicContact NH1-OD1 3.39Å; R215-D375 PolarHBondContact NH1-OD1 3.3Å; R215-D375 IonicContact NH2-OD1 3.96Å; R215-D375 PolarHBondContact NH2-OD1 3.46Å; R371-D375 WeakPolarHBondContact O-CB 3.15Å; R371-D375 PolarHBondContact O-N 2.56Å; R372-D375 PolarHBondContact O-N 2.97Å; D375-E379 WeakPolarHBondContact O-CB 3.39Å
376D93.4Very high96.6Very high73 Ų7329.7 Ų29.739%0.3914%0.14SC..Iπ-helixtrans-100.2-20.7-176-65.8-45.9000114.1R372 K380 A481R372-D376 VanDerWaalsContact O-CB 3.27Å; R372-D376 WeakPolarHBondContact O-CB 3.5Å; R372-D376 PolarHBondContact O-N 3.43Å; D376-K380 WeakPolarHBondContact O-CD 3.49Å; D376-K380 VanDerWaalsContact O-CE 3.27Å; D376-K380 WeakPolarHBondContact O-CE 3.35Å; D376-K380 WeakPolarHBondContact O-CG 3.48Å; D376-A481 HydrophobicContact CB-CB 4.19Å
377V97.4Very high96.7Very high4 Ų430 Ų302%0.02414%0.141CC..Iπ-helixtrans-110.7-59.8-179-170.10000110.6A304 E373 K380 L381 I478 A481 F482A304-V377 HydrophobicContact CB-CG1 4.2Å; E373-V377 WeakPolarHBondContact O-CA 3.3Å; E373-V377 WeakPolarHBondContact O-CB 3.3Å; E373-V377 PolarHBondContact O-N 3.12Å; E373-V377 VanDerWaalsContact O-N 3.13Å; V377-K380 PolarHBondContact O-N 3.38Å; V377-L381 HydrophobicContact CG1-CD1 4Å; V377-L381 WeakPolarHBondContact O-CG 3.38Å; V377-L381 PolarHBondContact O-N 3.37Å; V377-I478 HydrophobicContact CG1-CG2 4.12Å; V377-A481 HydrophobicContact CG2-CB 4.31Å; V377-F482 HydrophobicContact CG1-CB 4.06Å; V377-F482 HydrophobicContact CG1-CD2 4.28Å; V377-F482 HydrophobicContact CG2-CB 3.9Å; V377-F482 HydrophobicContact CG2-CD2 4.37Å
378V97.7Very high96.7Very high0 Ų029.6 Ų29.60%014%0.138CC..Iπ-helixtrans-65.2-43.8-174.7-178.60000111R301 A304 E305 A308 E373 Q374 K380 L381 N382R301-V378 HydrophobicContact CG-CG1 4.34Å; A304-V378 HydrophobicContact CB-CG2 4.1Å; E305-V378 HydrophobicContact CB-CG1 4.28Å; E305-V378 HydrophobicContact CB-CG2 4.34Å; A308-V378 HydrophobicContact CB-CG2 4.48Å; E373-V378 PolarHBondContact O-N 3.05Å; Q374-V378 WeakPolarHBondContact O-CB 3.47Å; Q374-V378 PolarHBondContact O-N 3.26Å; V378-K380 PolarHBondContact O-N 3.44Å; V378-L381 PolarHBondContact O-N 3.19Å; V378-N382 PolarHBondContact O-N 3.3Å; V378-N382 PolarHBondContact O-ND2 2.75Å
379E96.1Very high96.8Very high32 Ų3229.7 Ų29.715%0.1514%0.139CC..Hα-helixtrans-64.1-36.7176.9-69.6-56.4138.700113.4R215 R219 Q374 D375 N382 F383R215-E379 WeakPolarHBondContact CD-OE1 3.47Å; R215-E379 IonicContact CZ-OE1 3.95Å; R215-E379 IonicContact NH1-OE1 3.02Å; R215-E379 PolarHBondContact NH1-OE1 2.86Å; R219-E379 IonicContact CZ-OE2 3.38Å; R219-E379 IonicContact NH1-OE2 3.78Å; R219-E379 PolarHBondContact NH1-OE2 3.32Å; Q374-E379 WeakPolarHBondContact O-CG 3.4Å; Q374-E379 PolarHBondContact O-N 3.17Å; D375-E379 WeakPolarHBondContact O-CB 3.39Å; E379-N382 PolarHBondContact O-N 2.89Å; E379-F383 WeakPolarHBondContact O-CB 3.45Å; E379-F383 PolarHBondContact O-N 3.06Å
380K96.3Very high96.9Very high73 Ų7329 Ų2932%0.31714%0.135SC..Hα-helixtrans-71.3-35.5176.7-65.9-171.4-165.5173.70112D376 V377 V378 F383 F384 I478D376-K380 WeakPolarHBondContact O-CD 3.49Å; D376-K380 VanDerWaalsContact O-CE 3.27Å; D376-K380 WeakPolarHBondContact O-CE 3.35Å; D376-K380 WeakPolarHBondContact O-CG 3.48Å; V377-K380 PolarHBondContact O-N 3.38Å; V378-K380 PolarHBondContact O-N 3.44Å; K380-F383 WeakPolarHBondContact O-CB 3.4Å; K380-F383 PolarHBondContact O-N 3.28Å; K380-F384 PolarHBondContact O-N 3.44Å; K380-F384 VanDerWaalsContact O-N 3.12Å; K380-I478 HydrophobicContact CB-CD1 4.24Å; K380-I478 HydrophobicContact CB-CG1 3.67Å
381L98.1Very high97Very high1 Ų129 Ų291%0.00514%0.135CC..Hα-helixtrans-62.5-45.9170.4-76.3165.3000111F297 L300 R301 A304 V377 V378 F383 F384 L385 I478F297-L381 HydrophobicContact CD1-CD2 3.72Å; F297-L381 HydrophobicContact CE1-CD2 4.19Å; L300-L381 HydrophobicContact CD2-CD2 3.91Å; L300-L381 HydrophobicContact CG-CD1 4.39Å; L300-L381 HydrophobicContact CG-CD2 4.17Å; R301-L381 HydrophobicContact CB-CB 3.96Å; R301-L381 HydrophobicContact CB-CD1 4.23Å; R301-L381 HydrophobicContact CG-CB 3.89Å; A304-L381 HydrophobicContact CB-CD1 3.77Å; V377-L381 HydrophobicContact CG1-CD1 4Å; V377-L381 WeakPolarHBondContact O-CG 3.38Å; V377-L381 PolarHBondContact O-N 3.37Å; V378-L381 PolarHBondContact O-N 3.19Å; L381-F383 VanDerWaalsContact C-N 3.32Å; L381-F383 PolarHBondContact O-N 2.8Å; L381-F384 PolarHBondContact O-N 3.34Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 2.82Å; L381-I478 HydrophobicContact CD1-CG2 4.25Å; L381-I478 HydrophobicContact CD2-CD1 4.07Å; L381-I478 HydrophobicContact CD2-CG2 3.88Å; L381-I478 HydrophobicContact CG-CD1 4.33Å; L381-I478 HydrophobicContact CG-CG2 3.78Å
382N97.9Very high97.1Very high20 Ų2027.4 Ų27.411%0.10713%0.129CC..Hα-helixtrans-61.3-39.6174.9-76.5-35.2000112V378 E379 F384 L385 D386V378-N382 PolarHBondContact O-N 3.3Å; V378-N382 PolarHBondContact O-ND2 2.75Å; E379-N382 PolarHBondContact O-N 2.89Å; N382-F384 PolarHBondContact O-N 3.5Å; N382-L385 PolarHBondContact O-N 2.88Å; N382-D386 WeakPolarHBondContact O-CB 3.22Å; N382-D386 PolarHBondContact O-N 2.88Å
383F97.7Very high97.2Very high19 Ų1927.4 Ų27.48%0.08313%0.132CC..Hα-helixtrans-59.1-45.9175.8-179.1-85.2000112R219 N222 L223 E379 K380 L381 L387 Y471 I474R219-F383 HydrophobicContact CB-CD2 4.05Å; R219-F383 HydrophobicContact CG-CB 4.39Å; R219-F383 HydrophobicContact CG-CD2 4.14Å; N222-F383 HydrophobicContact CB-CE2 4Å; L223-F383 HydrophobicContact CD2-CD1 4.28Å; L223-F383 HydrophobicContact CD2-CD2 4.49Å; L223-F383 HydrophobicContact CD2-CE1 3.55Å; L223-F383 HydrophobicContact CD2-CE2 3.81Å; L223-F383 HydrophobicContact CD2-CZ 3.28Å; L223-F383 HydrophobicContact CG-CD2 4.26Å; L223-F383 HydrophobicContact CG-CE1 4.3Å; L223-F383 HydrophobicContact CG-CE2 3.65Å; L223-F383 HydrophobicContact CG-CZ 3.68Å; E379-F383 WeakPolarHBondContact O-CB 3.45Å; E379-F383 PolarHBondContact O-N 3.06Å; K380-F383 WeakPolarHBondContact O-CB 3.4Å; K380-F383 PolarHBondContact O-N 3.28Å; L381-F383 VanDerWaalsContact C-N 3.32Å; L381-F383 PolarHBondContact O-N 2.8Å; F383-L387 PolarHBondContact O-N 2.85Å; F383-Y471 HydrophobicContact CE1-CD1 4.25Å; F383-Y471 AromaticContact CE1-CE1 3.81Å; F383-Y471 HydrophobicContact CE1-CE1 3.81Å; F383-Y471 HydrophobicContact CZ-CE1 4.32Å; F383-I474 HydrophobicContact CD1-CD1 3.85Å; F383-I474 HydrophobicContact CE1-CD1 4.33Å
384F97.9Very high97.3Very high0 Ų027.2 Ų27.20%013%0.132CC..Hα-helixtrans-70.6-37.8178.1-171.7-131.6000112.1I293 F297 K380 L381 N382 L387 L388 L472 I474I293-F384 HydrophobicContact CG2-CE1 4.21Å; I293-F384 HydrophobicContact CG2-CZ 4.45Å; F297-F384 AromaticContact CD1-CD1 3.69Å; F297-F384 HydrophobicContact CD1-CD1 3.69Å; F297-F384 HydrophobicContact CD1-CE1 4.12Å; F297-F384 HydrophobicContact CD2-CD1 4.23Å; F297-F384 AromaticContact CD2-CE1 3.87Å; F297-F384 HydrophobicContact CD2-CE1 3.87Å; F297-F384 AromaticContact CE1-CD1 3.74Å; F297-F384 HydrophobicContact CE1-CD1 3.74Å; F297-F384 AromaticContact CE1-CE1 3.96Å; F297-F384 HydrophobicContact CE1-CE1 3.96Å; F297-F384 HydrophobicContact CE2-CD1 4.28Å; F297-F384 AromaticContact CE2-CE1 3.71Å; F297-F384 HydrophobicContact CE2-CE1 3.71Å; F297-F384 AromaticContact CG-CD1 3.95Å; F297-F384 HydrophobicContact CG-CD1 3.95Å; F297-F384 HydrophobicContact CG-CE1 4.07Å; F297-F384 HydrophobicContact CZ-CD1 4.04Å; F297-F384 AromaticContact CZ-CE1 3.75Å; F297-F384 HydrophobicContact CZ-CE1 3.75Å; K380-F384 PolarHBondContact O-N 3.44Å; K380-F384 VanDerWaalsContact O-N 3.12Å; L381-F384 PolarHBondContact O-N 3.34Å; N382-F384 PolarHBondContact O-N 3.5Å; F384-L387 HydrophobicContact CD2-CD2 4.24Å; F384-L387 HydrophobicContact CE2-CD2 4.35Å; F384-L387 WeakPolarHBondContact O-CB 3.03Å; F384-L387 PolarHBondContact O-N 2.86Å; F384-L388 HydrophobicContact CD1-CD1 3.83Å; F384-L388 HydrophobicContact CD1-CG 4.48Å; F384-L388 HydrophobicContact CD2-CG 4.42Å; F384-L388 HydrophobicContact CE1-CD1 3.62Å; F384-L388 HydrophobicContact CE1-CD2 4.45Å; F384-L388 HydrophobicContact CE1-CG 4.24Å; F384-L388 HydrophobicContact CE2-CD1 4.42Å; F384-L388 HydrophobicContact CE2-CD2 4.17Å; F384-L388 HydrophobicContact CE2-CG 4.15Å; F384-L388 HydrophobicContact CG-CD1 4.33Å; F384-L388 HydrophobicContact CZ-CD1 3.92Å; F384-L388 HydrophobicContact CZ-CD2 3.92Å; F384-L388 HydrophobicContact CZ-CG 4.05Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.41Å; F384-L388 PolarHBondContact O-N 3.29Å; F384-L472 HydrophobicContact CE1-CD2 4.44Å; F384-L472 HydrophobicContact CZ-CD2 3.88Å; F384-I474 HydrophobicContact CB-CG2 4.15Å; F384-I474 HydrophobicContact CD1-CG2 4.23Å; F384-I474 HydrophobicContact CD2-CG2 3.86Å; F384-I474 HydrophobicContact CE2-CG2 4.34Å; F384-I474 HydrophobicContact CG-CG2 3.83Å
385L98.3Very high97.4Very high7 Ų725.2 Ų25.24%0.03712%0.123CC..Hα-helixtrans-62.8-41.7174.5-77.4167.1000112.4F297 Q298 R301 L381 N382 L387 L388 Q389F297-L385 HydrophobicContact CB-CD2 3.85Å; F297-L385 HydrophobicContact CB-CG 4.33Å; Q298-L385 HydrophobicContact CB-CD2 4.06Å; R301-L385 HydrophobicContact CB-CD1 3.69Å; R301-L385 HydrophobicContact CG-CD1 3.96Å; L381-L385 WeakPolarHBondContact O-CB 3.48Å; L381-L385 WeakPolarHBondContact O-CG 3.41Å; L381-L385 PolarHBondContact O-N 2.82Å; N382-L385 PolarHBondContact O-N 2.88Å; L385-L387 VanDerWaalsContact C-N 3.3Å; L385-L387 PolarHBondContact O-N 3Å; L385-L388 PolarHBondContact O-N 2.99Å; L385-Q389 VanDerWaalsContact O-CB 3.3Å; L385-Q389 WeakPolarHBondContact O-CB 3.36Å; L385-Q389 PolarHBondContact O-N 3.48Å
386D98.3Very high97.6Very high48 Ų4825.4 Ų25.426%0.25712%0.121SC..Hα-helixtrans-58.9-44.4175.7-71-21.9000109.7R219 L223 N382 Q389 S390R219-D386 IonicContact CZ-OD2 2.81Å; R219-D386 IonicContact NE-OD2 3.75Å; R219-D386 PolarHBondContact NE-OD2 3.36Å; R219-D386 IonicContact NH2-OD2 3.8Å; R219-D386 PolarHBondContact NH2-OD2 3.4Å; R219-D386 VanDerWaalsContact NH2-OD2 3.1Å; L223-D386 HydrophobicContact CD1-CB 3.95Å; N382-D386 WeakPolarHBondContact O-CB 3.22Å; N382-D386 PolarHBondContact O-N 2.88Å; D386-Q389 PolarHBondContact O-N 2.88Å; D386-S390 WeakPolarHBondContact O-CB 3.36Å; D386-S390 PolarHBondContact O-N 3.38Å; D386-S390 PolarHBondContact O-OG 3.03Å
387L98.2Very high97.7Very high7 Ų725.2 Ų25.24%0.03712%0.115CC..Hα-helixtrans-60.9-48.1174.7177.465.1000112.6V187 L223 F383 F384 L385 Q389 S390 Y391 I468 Y471V187-L387 HydrophobicContact CG1-CD1 3.91Å; L223-L387 HydrophobicContact CD1-CB 4.42Å; L223-L387 HydrophobicContact CD2-CB 3.91Å; L223-L387 HydrophobicContact CD2-CD1 4.14Å; L223-L387 HydrophobicContact CD2-CG 4.41Å; F383-L387 PolarHBondContact O-N 2.85Å; F384-L387 HydrophobicContact CD2-CD2 4.24Å; F384-L387 HydrophobicContact CE2-CD2 4.35Å; F384-L387 WeakPolarHBondContact O-CB 3.03Å; F384-L387 PolarHBondContact O-N 2.86Å; L385-L387 VanDerWaalsContact C-N 3.3Å; L385-L387 PolarHBondContact O-N 3Å; L387-Q389 PolarHBondContact O-N 3.27Å; L387-S390 WeakPolarHBondContact O-CB 3.41Å; L387-S390 PolarHBondContact O-N 3.23Å; L387-Y391 PolarHBondContact O-N 2.87Å; L387-Y391 VanDerWaalsContact O-N 3.08Å; L387-I468 HydrophobicContact CD1-CD1 3.75Å; L387-I468 HydrophobicContact CD2-CD1 3.94Å; L387-I468 HydrophobicContact CG-CD1 3.49Å; L387-I468 VanDerWaalsContact CG-CD1 3.49Å; L387-Y471 HydrophobicContact CD2-CD1 3.92Å; L387-Y471 HydrophobicContact CD2-CD2 3.48Å; L387-Y471 VanDerWaalsContact CD2-CD2 3.48Å; L387-Y471 HydrophobicContact CD2-CE1 4.49Å; L387-Y471 HydrophobicContact CD2-CE2 4.08Å; L387-Y471 HydrophobicContact CD2-CG 3.39Å
388L98.4Very high97.7Very high0 Ų025.1 Ų25.10%011%0.114CC..Hα-helixtrans-64.2-40.3179.7-67.7171.1000112I290 I293 H294 F384 L385 S390 Y391 R392 I468I290-L388 HydrophobicContact CG2-CD2 3.83Å; I293-L388 HydrophobicContact CG2-CD1 3.96Å; I293-L388 HydrophobicContact CG2-CD2 4.23Å; H294-L388 HydrophobicContact CB-CB 4.13Å; H294-L388 HydrophobicContact CB-CD1 4.25Å; F384-L388 HydrophobicContact CD1-CD1 3.83Å; F384-L388 HydrophobicContact CD1-CG 4.48Å; F384-L388 HydrophobicContact CD2-CG 4.42Å; F384-L388 HydrophobicContact CE1-CD1 3.62Å; F384-L388 HydrophobicContact CE1-CD2 4.45Å; F384-L388 HydrophobicContact CE1-CG 4.24Å; F384-L388 HydrophobicContact CE2-CD1 4.42Å; F384-L388 HydrophobicContact CE2-CD2 4.17Å; F384-L388 HydrophobicContact CE2-CG 4.15Å; F384-L388 HydrophobicContact CG-CD1 4.33Å; F384-L388 HydrophobicContact CZ-CD1 3.92Å; F384-L388 HydrophobicContact CZ-CD2 3.92Å; F384-L388 HydrophobicContact CZ-CG 4.05Å; F384-L388 VanDerWaalsContact O-CG 3.3Å; F384-L388 WeakPolarHBondContact O-CG 3.41Å; F384-L388 PolarHBondContact O-N 3.29Å; L385-L388 PolarHBondContact O-N 2.99Å; L388-S390 VanDerWaalsContact C-N 3.32Å; L388-Y391 PolarHBondContact O-N 2.9Å; L388-R392 WeakPolarHBondContact O-CG 3.25Å; L388-R392 PolarHBondContact O-N 2.96Å; L388-R392 VanDerWaalsContact O-N 3.11Å; L388-I468 HydrophobicContact CD2-CG2 3.69Å
389Q98.1Very high97.6Very high53 Ų5328.4 Ų28.425%0.24813%0.13CC..Hα-helixtrans-63.8-41.1175.5-177.95551.500110.8H294 L385 D386 L387 Y391 R392 D393H294-Q389 PolarHBondContact NE2-OE1 3.4Å; L385-Q389 VanDerWaalsContact O-CB 3.3Å; L385-Q389 WeakPolarHBondContact O-CB 3.36Å; L385-Q389 PolarHBondContact O-N 3.48Å; D386-Q389 PolarHBondContact O-N 2.88Å; L387-Q389 PolarHBondContact O-N 3.27Å; Q389-Y391 VanDerWaalsContact C-N 3.27Å; Q389-Y391 PolarHBondContact O-N 3.31Å; Q389-R392 WeakPolarHBondContact O-CA 3.47Å; Q389-R392 WeakPolarHBondContact O-CB 3.46Å; Q389-R392 PolarHBondContact O-N 2.97Å; Q389-D393 PolarHBondContact NE2-OD1 3.37Å; Q389-D393 VanDerWaalsContact O-CG 3.3Å; Q389-D393 PolarHBondContact O-N 3.11Å
390S98.1Very high97.6Very high1 Ų133.8 Ų33.81%0.00715%0.152CC..Hα-helixtrans-62.7-34.5177.5-53.20000112.5P189 D386 L387 L388 D393 L394P189-S390 WeakPolarHBondContact CA-OG 3.34Å; D386-S390 WeakPolarHBondContact O-CB 3.36Å; D386-S390 PolarHBondContact O-N 3.38Å; D386-S390 PolarHBondContact O-OG 3.03Å; L387-S390 WeakPolarHBondContact O-CB 3.41Å; L387-S390 PolarHBondContact O-N 3.23Å; L388-S390 VanDerWaalsContact C-N 3.32Å; S390-D393 PolarHBondContact O-N 3.25Å; S390-L394 PolarHBondContact O-N 2.72Å
391Y98.5Very high97.5Very high1 Ų131.3 Ų31.30%0.00415%0.148CC..Hα-helixtrans-67.1-41.6171.2178.9-88.4000112.1V187 I290 L387 L388 Q389 D393 L394 C395 L461 T465 I468V187-Y391 HydrophobicContact CG2-CD2 4.13Å; I290-Y391 HydrophobicContact CB-CD1 4.08Å; I290-Y391 HydrophobicContact CB-CE1 4.02Å; I290-Y391 HydrophobicContact CD1-CD1 3.81Å; I290-Y391 HydrophobicContact CD1-CD2 4.32Å; I290-Y391 HydrophobicContact CD1-CE1 3.41Å; I290-Y391 VanDerWaalsContact CD1-CE1 3.41Å; I290-Y391 HydrophobicContact CD1-CE2 3.98Å; I290-Y391 HydrophobicContact CD1-CG 4.26Å; I290-Y391 HydrophobicContact CG1-CE1 4.29Å; I290-Y391 HydrophobicContact CG2-CD1 3.51Å; I290-Y391 HydrophobicContact CG2-CE1 3.99Å; I290-Y391 HydrophobicContact CG2-CG 4.22Å; L387-Y391 PolarHBondContact O-N 2.87Å; L387-Y391 VanDerWaalsContact O-N 3.08Å; L388-Y391 PolarHBondContact O-N 2.9Å; Q389-Y391 VanDerWaalsContact C-N 3.27Å; Q389-Y391 PolarHBondContact O-N 3.31Å; Y391-D393 VanDerWaalsContact C-N 3.3Å; Y391-D393 PolarHBondContact O-N 3.46Å; Y391-L394 WeakPolarHBondContact O-CB 3.38Å; Y391-L394 PolarHBondContact O-N 3.05Å; Y391-L394 VanDerWaalsContact O-N 3.16Å; Y391-C395 WeakPolarHBondContact CE1-SG 3.5Å; Y391-C395 PolarHBondContact O-N 3.01Å; Y391-C395 PolarHBondContact O-SG 3.22Å; Y391-C395 VanDerWaalsContact O-SG 3.35Å; Y391-L461 HydrophobicContact CE2-CD2 4.41Å; Y391-T465 PolarHBondContact OH-OG1 3.46Å; Y391-T465 VanDerWaalsContact OH-OG1 3.05Å; Y391-I468 HydrophobicContact CD2-CD1 4.42Å; Y391-I468 HydrophobicContact CD2-CG1 3.74Å; Y391-I468 HydrophobicContact CE2-CG1 4.49Å; Y391-I468 HydrophobicContact CG-CD1 4.4Å; Y391-I468 HydrophobicContact CG-CG1 3.99Å
392R97.9Very high97.3Very high74 Ų7432 Ų3228%0.27915%0.152SC..Hα-helixtrans-59.2-43.9173.6-66.118062.3-126.5-10.9111.2L388 Q389 L394 C395 E396L388-R392 WeakPolarHBondContact O-CG 3.25Å; L388-R392 PolarHBondContact O-N 2.96Å; L388-R392 VanDerWaalsContact O-N 3.11Å; Q389-R392 WeakPolarHBondContact O-CA 3.47Å; Q389-R392 WeakPolarHBondContact O-CB 3.46Å; Q389-R392 PolarHBondContact O-N 2.97Å; R392-L394 VanDerWaalsContact C-N 3.28Å; R392-L394 PolarHBondContact O-N 2.97Å; R392-C395 WeakPolarHBondContact O-CB 3.49Å; R392-C395 PolarHBondContact O-N 2.76Å; R392-C395 VanDerWaalsContact O-N 3.17Å; R392-E396 PolarHBondContact O-N 2.97Å
393D97.8Very high97.1Very high43 Ų4332.3 Ų32.323%0.2315%0.154CC..Hα-helixtrans-62.7-36.6177.4-61.3-14.6000111.4Q389 S390 Y391 E396 R397Q389-D393 PolarHBondContact NE2-OD1 3.37Å; Q389-D393 VanDerWaalsContact O-CG 3.3Å; Q389-D393 PolarHBondContact O-N 3.11Å; S390-D393 PolarHBondContact O-N 3.25Å; Y391-D393 VanDerWaalsContact C-N 3.3Å; Y391-D393 PolarHBondContact O-N 3.46Å; D393-E396 PolarHBondContact O-N 3.49Å; D393-R397 WeakPolarHBondContact O-CG 3.3Å; D393-R397 PolarHBondContact O-N 3.47Å; D393-R397 PolarHBondContact O-NH1 3.13Å
394L98.3Very high96.9Very high0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-63.9-45.1172.417461.1000112.2Y185 V187 S390 Y391 R392 E396 R397 H398 L461 E464Y185-L394 WeakPolarHBondContact O-CD1 3.45Å; V187-L394 HydrophobicContact CG2-CB 4.48Å; V187-L394 HydrophobicContact CG2-CD2 3.72Å; S390-L394 PolarHBondContact O-N 2.72Å; Y391-L394 WeakPolarHBondContact O-CB 3.38Å; Y391-L394 PolarHBondContact O-N 3.05Å; Y391-L394 VanDerWaalsContact O-N 3.16Å; R392-L394 VanDerWaalsContact C-N 3.28Å; R392-L394 PolarHBondContact O-N 2.97Å; L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 2.86Å; L394-R397 PolarHBondContact O-N 3.49Å; L394-H398 PolarHBondContact O-N 3.02Å; L394-L461 HydrophobicContact CD2-CD2 3.73Å; L394-L461 HydrophobicContact CD2-CG 4.39Å; L394-L461 HydrophobicContact CG-CD2 3.72Å; L394-L461 HydrophobicContact CG-CG 4.41Å; L394-E464 HydrophobicContact CD2-CB 3.93Å; L394-E464 HydrophobicContact CD2-CG 3.67Å
395C98Very high96.7Very high4 Ų441.1 Ų41.13%0.02720%0.195CC..Hα-helixtrans-56.8-44.1174-63.20000111F283 R287 Y391 R392 H398 E399F283-C395 HydrophobicContact CE2-CB 4.21Å; F283-C395 HydrophobicContact CZ-CB 4.12Å; R287-C395 HydrophobicContact CG-CB 4.23Å; Y391-C395 WeakPolarHBondContact CE1-SG 3.5Å; Y391-C395 PolarHBondContact O-N 3.01Å; Y391-C395 PolarHBondContact O-SG 3.22Å; Y391-C395 VanDerWaalsContact O-SG 3.35Å; R392-C395 WeakPolarHBondContact O-CB 3.49Å; R392-C395 PolarHBondContact O-N 2.76Å; R392-C395 VanDerWaalsContact O-N 3.17Å; C395-H398 PolarHBondContact O-N 3.02Å; C395-E399 WeakPolarHBondContact O-CG 3.4Å; C395-E399 PolarHBondContact O-N 3.03Å
396E97.1Very high96.5Very high73 Ų7341.9 Ų41.934%0.34120%0.198SC..Hα-helixtrans-63.7-41.5177.3-69.4-164-160.700112.5R392 D393 L394 H398 E399 K400R392-E396 PolarHBondContact O-N 2.97Å; D393-E396 PolarHBondContact O-N 3.49Å; L394-E396 VanDerWaalsContact C-N 3.27Å; L394-E396 PolarHBondContact O-N 2.86Å; E396-H398 VanDerWaalsContact C-N 3.31Å; E396-H398 PolarHBondContact O-N 3.38Å; E396-E399 PolarHBondContact O-N 3.33Å; E396-K400 VanDerWaalsContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.33Å; E396-K400 PolarHBondContact O-N 3.3Å; E396-K400 IonicContact OE2-NZ 3.78Å; E396-K400 PolarHBondContact OE2-NZ 2.85Å
397R96.8Very high96.3Very high70 Ų7044 Ų4426%0.26421%0.206SC..Hα-helixtrans-60.8-39.1174-75.1-168.9-62.4-83.16.5112.2A184 R186 D393 L394 G401A184-R397 PolarHBondContact O-NE 2.68Å; R186-R397 PolarHBondContact O-NH2 3.5Å; D393-R397 WeakPolarHBondContact O-CG 3.3Å; D393-R397 PolarHBondContact O-N 3.47Å; D393-R397 PolarHBondContact O-NH1 3.13Å; L394-R397 PolarHBondContact O-N 3.49Å; R397-G401 WeakPolarHBondContact O-CA 3.41Å; R397-G401 PolarHBondContact O-N 2.96Å
398H96.5Very high96.1Very high2 Ų250.4 Ų50.41%0.00923%0.234CC..Iπ-helixtrans-65.5-53.9176.3173.771.9000111.3F283 L394 C395 E396 V402 L403 N454 S457 L461F283-H398 AromaticContact CZ-CD2 4Å; L394-H398 PolarHBondContact O-N 3.02Å; C395-H398 PolarHBondContact O-N 3.02Å; E396-H398 VanDerWaalsContact C-N 3.31Å; E396-H398 PolarHBondContact O-N 3.38Å; H398-V402 PolarHBondContact O-N 2.89Å; H398-L403 VanDerWaalsContact O-CB 3.26Å; H398-L403 WeakPolarHBondContact O-CB 3.3Å; H398-L403 PolarHBondContact O-N 2.96Å; H398-N454 PolarHBondContact CE1-OD1 3.05Å; H398-S457 PolarHBondContact ND1-OG 3.36Å; H398-L461 HydrophobicContact CB-CD1 3.68Å; H398-L461 VanDerWaalsContact CG-CD1 3.42Å
399E95.8Very high95.7Very high69 Ų6950.8 Ų50.832%0.32224%0.237SC..Iπ-helixtrans-70.1-48-172.8-68.8-173.1103.300113.3F283 R287 C395 E396 H404F283-E399 HydrophobicContact CE1-CG 4.22Å; F283-E399 HydrophobicContact CZ-CG 4.22Å; R287-E399 IonicContact CZ-OE1 2.95Å; R287-E399 IonicContact CZ-OE2 3.78Å; R287-E399 IonicContact NH1-OE1 3.7Å; R287-E399 PolarHBondContact NH1-OE1 3.4Å; R287-E399 IonicContact NH1-OE2 3.81Å; R287-E399 PolarHBondContact NH1-OE2 2.76Å; C395-E399 WeakPolarHBondContact O-CG 3.4Å; C395-E399 PolarHBondContact O-N 3.03Å; E396-E399 PolarHBondContact O-N 3.33Å; E399-H404 VanDerWaalsContact O-CB 3.3Å; E399-H404 WeakPolarHBondContact O-CB 3.41Å; E399-H404 PolarHBondContact O-N 2.93Å
400K95.6Very high95.5Very high144 Ų14451.4 Ų51.463%0.62624%0.242SC*.Iπ-helixtrans-85-16.7-177.6-59.8175.2-176165.20112.4E396E396-K400 VanDerWaalsContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.33Å; E396-K400 PolarHBondContact O-N 3.3Å; E396-K400 IonicContact OE2-NZ 3.78Å; E396-K400 PolarHBondContact OE2-NZ 2.85Å
401G94.9Very high95.2Very high22 Ų2257.7 Ų57.723%0.22727%0.271CS..Iπ-helixtrans-98.8-10617600000111.2R397 L403 H404 E405R397-G401 WeakPolarHBondContact O-CA 3.41Å; R397-G401 PolarHBondContact O-N 2.96Å; G401-L403 VanDerWaalsContact C-N 3.33Å; G401-L403 PolarHBondContact O-N 3.05Å; G401-H404 PolarHBondContact O-N 3.3Å; G401-H404 VanDerWaalsContact O-N 3.17Å; G401-E405 WeakPolarHBondContact O-CB 3.49Å; G401-E405 WeakPolarHBondContact O-CG 3.29Å; G401-E405 PolarHBondContact O-N 3.27Å
402V93.6Very high94.8Very high16 Ų1662.7 Ų62.710%0.09729%0.293CS..Iπ-helixtrans-56.5-40.7-16768.10000113.8Y185 H398 H406 R453 N454Y185-V402 HydrophobicContact CE1-CB 4.42Å; Y185-V402 HydrophobicContact CE1-CG1 4.42Å; H398-V402 PolarHBondContact O-N 2.89Å; V402-H406 VanDerWaalsContact O-CB 3.26Å; V402-H406 WeakPolarHBondContact O-CB 3.35Å; V402-H406 PolarHBondContact O-N 3.43Å; V402-R453 HydrophobicContact CG2-CB 3.91Å; V402-N454 HydrophobicContact CG2-CB 4.25Å
403L93.7Very high94.5Very high26 Ų2661.3 Ų61.314%0.13629%0.288CS..Iπ-helixtrans-68.5-48-180179.561.8000111.2H398 G401 H406 Q407H398-L403 VanDerWaalsContact O-CB 3.26Å; H398-L403 WeakPolarHBondContact O-CB 3.3Å; H398-L403 PolarHBondContact O-N 2.96Å; G401-L403 VanDerWaalsContact C-N 3.33Å; G401-L403 PolarHBondContact O-N 3.05Å; L403-H406 PolarHBondContact O-N 3.26Å; L403-Q407 WeakPolarHBondContact O-CG 3.33Å; L403-Q407 PolarHBondContact O-N 3.34Å
404H94.5Very high94.2Very high95 Ų9562.1 Ų62.144%0.4430%0.297SS..Hα-helixtrans-62-44.2177.8-179.466000111.8E399 G401 H406 Q407 K408E399-H404 VanDerWaalsContact O-CB 3.3Å; E399-H404 WeakPolarHBondContact O-CB 3.41Å; E399-H404 PolarHBondContact O-N 2.93Å; G401-H404 PolarHBondContact O-N 3.3Å; G401-H404 VanDerWaalsContact O-N 3.17Å; H404-H406 PolarHBondContact O-N 3.39Å; H404-Q407 PolarHBondContact O-N 3.08Å; H404-K408 WeakPolarHBondContact O-CB 3.42Å; H404-K408 PolarHBondContact O-N 3.38Å
405E93Very high93.8Very high109 Ų10966.9 Ų66.951%0.50932%0.32SS..Hα-helixtrans-63-42.6177.8-68.1-174.4161.200111.3G401 K408 A409 M450G401-E405 WeakPolarHBondContact O-CB 3.49Å; G401-E405 WeakPolarHBondContact O-CG 3.29Å; G401-E405 PolarHBondContact O-N 3.27Å; E405-K408 PolarHBondContact O-N 2.84Å; E405-A409 WeakPolarHBondContact O-CB 3.46Å; E405-A409 PolarHBondContact O-N 2.94Å; E405-M450 HydrophobicContact CB-CE 3.29Å; E405-M450 VanDerWaalsContact O-CE 3.22Å; E405-M450 WeakPolarHBondContact O-CE 3.5Å
406H93.8Very high93.3Very high23 Ų2367.2 Ų67.211%0.10632%0.322CS..Hα-helixtrans-60.7-46.5175.6176.5-140.8000111.6V402 L403 H404 K408 A409 L410 M450V402-H406 VanDerWaalsContact O-CB 3.26Å; V402-H406 WeakPolarHBondContact O-CB 3.35Å; V402-H406 PolarHBondContact O-N 3.43Å; L403-H406 PolarHBondContact O-N 3.26Å; H404-H406 PolarHBondContact O-N 3.39Å; H406-K408 VanDerWaalsContact C-N 3.35Å; H406-K408 PolarHBondContact O-N 2.83Å; H406-A409 WeakPolarHBondContact O-CB 3.38Å; H406-A409 PolarHBondContact O-N 3.24Å; H406-L410 PolarHBondContact O-N 3.29Å; H406-M450 HydrophobicContact CB-CB 4.23Å
407Q93.8Very high92.9Very high91 Ų9168.7 Ų68.743%0.42533%0.327SS..Hα-helixtrans-60.2-43.8175.3-71.9173.5-8.300111.8L403 H404 A409 L410 H411L403-Q407 WeakPolarHBondContact O-CG 3.33Å; L403-Q407 PolarHBondContact O-N 3.34Å; H404-Q407 PolarHBondContact O-N 3.08Å; Q407-A409 VanDerWaalsContact C-N 3.33Å; Q407-A409 PolarHBondContact O-N 3.08Å; Q407-L410 PolarHBondContact O-N 3.17Å; Q407-H411 PolarHBondContact O-N 3.47Å; Q407-H411 PolarHBondContact O-ND1 3.24Å
408K93.3Very high92.5Very high142 Ų14273.1 Ų73.162%0.61734%0.344SS*.Hα-helixtrans-62.3-39.6177.8-175.1178.6178.8-1800111.9H404 E405 H406 H411 K412H404-K408 WeakPolarHBondContact O-CB 3.42Å; H404-K408 PolarHBondContact O-N 3.38Å; E405-K408 PolarHBondContact O-N 2.84Å; H406-K408 VanDerWaalsContact C-N 3.35Å; H406-K408 PolarHBondContact O-N 2.83Å; K408-H411 PolarHBondContact O-N 2.84Å; K408-K412 WeakPolarHBondContact O-CB 3.27Å; K408-K412 PolarHBondContact O-N 2.97Å
409A91.8Very high92Very high8 Ų877.8 Ų77.87%0.06637%0.366CS..Hα-helixtrans-63.3-44.4175.900000112E405 H406 Q407 H411 K412 Y413 Q443 I447 M450E405-A409 WeakPolarHBondContact O-CB 3.46Å; E405-A409 PolarHBondContact O-N 2.94Å; H406-A409 WeakPolarHBondContact O-CB 3.38Å; H406-A409 PolarHBondContact O-N 3.24Å; Q407-A409 VanDerWaalsContact C-N 3.33Å; Q407-A409 PolarHBondContact O-N 3.08Å; A409-H411 PolarHBondContact O-N 3.5Å; A409-K412 PolarHBondContact O-N 2.98Å; A409-Y413 PolarHBondContact O-N 2.82Å; A409-Q443 PolarHBondContact O-NE2 3.1Å; A409-I447 HydrophobicContact CB-CG1 3.84Å; A409-M450 HydrophobicContact CB-CE 4.26Å; A409-M450 HydrophobicContact CB-SD 3.54Å; A409-M450 VanDerWaalsContact CB-SD 3.54Å
410L92.3Very high91.4Very high67 Ų6776.8 Ų76.835%0.35136%0.361SS..Hα-helixtrans-61.1-42.3175.3-72.3170.9000112.6H406 Q407 Y413 S414 I447H406-L410 PolarHBondContact O-N 3.29Å; Q407-L410 PolarHBondContact O-N 3.17Å; L410-Y413 PolarHBondContact O-N 2.84Å; L410-S414 WeakPolarHBondContact O-CB 3.3Å; L410-S414 PolarHBondContact O-N 2.79Å; L410-S414 PolarHBondContact O-OG 3.47Å; L410-I447 HydrophobicContact CD2-CD1 4.22Å; L410-I447 HydrophobicContact CD2-CG1 4.49Å; L410-I447 HydrophobicContact CD2-CG2 3.74Å; L410-I447 HydrophobicContact CG-CG2 4.49Å
411H92.8Very high90.8Very high133 Ų13376 Ų7662%0.61636%0.361SS*.Hα-helixtrans-63.4-44.2176.1-77.581.2000111.8Q407 K408 A409 S414 M415Q407-H411 PolarHBondContact O-N 3.47Å; Q407-H411 PolarHBondContact O-ND1 3.24Å; K408-H411 PolarHBondContact O-N 2.84Å; A409-H411 PolarHBondContact O-N 3.5Å; H411-S414 PolarHBondContact O-N 3.06Å; H411-M415 WeakPolarHBondContact O-CG 3.46Å; H411-M415 PolarHBondContact O-N 2.92Å
412K90.7Very high90.3Very high105 Ų10577.6 Ų77.646%0.45737%0.369SS..Hα-helixtrans-62-43.7177.3-175.4-177.7169.5-151.80111.7K408 A409 S414 M415 M416K408-K412 WeakPolarHBondContact O-CB 3.27Å; K408-K412 PolarHBondContact O-N 2.97Å; A409-K412 PolarHBondContact O-N 2.98Å; K412-S414 PolarHBondContact O-N 3.02Å; K412-M415 WeakPolarHBondContact O-CB 3.13Å; K412-M415 PolarHBondContact O-N 2.85Å; K412-M416 HydrophobicContact CG-SD 4.03Å; K412-M416 WeakPolarHBondContact O-CG 3.36Å; K412-M416 PolarHBondContact O-N 2.94Å
413Y90.5Very high89.7Confident46 Ų4677.1 Ų77.118%0.1837%0.367CS..Hα-helixtrans-59.2-45.6174.2172.6-99.3000112.2A409 L410 M415 M416 K417 I440 Q443 E444 I447A409-Y413 PolarHBondContact O-N 2.82Å; L410-Y413 PolarHBondContact O-N 2.84Å; Y413-M415 VanDerWaalsContact C-N 3.27Å; Y413-M415 PolarHBondContact O-N 3.41Å; Y413-M416 PolarHBondContact O-N 3.44Å; Y413-M416 VanDerWaalsContact O-N 3.16Å; Y413-K417 HydrophobicContact CE1-CD 4.26Å; Y413-K417 WeakPolarHBondContact O-CB 3.29Å; Y413-K417 PolarHBondContact O-N 3.28Å; Y413-I440 HydrophobicContact CD2-CG2 4.39Å; Y413-I440 HydrophobicContact CE2-CG2 3.79Å; Y413-Q443 HydrophobicContact CD2-CG 4.39Å; Y413-E444 HydrophobicContact CD2-CG 3.94Å; Y413-E444 HydrophobicContact CE2-CG 3.31Å; Y413-E444 WeakPolarHBondContact CE2-OE1 3.45Å; Y413-E444 VanDerWaalsContact CZ-OE1 3.32Å; Y413-E444 PolarHBondContact OH-OE1 3.44Å; Y413-I447 HydrophobicContact CD1-CD1 4.4Å; Y413-I447 HydrophobicContact CD2-CD1 4.16Å; Y413-I447 HydrophobicContact CG-CD1 3.75Å
414S90.9Very high88.9Confident60 Ų6080 Ų8042%0.4239%0.385SS..Hα-helixtrans-62-34.1178-58.60000112.7L410 H411 K412 R418L410-S414 WeakPolarHBondContact O-CB 3.3Å; L410-S414 PolarHBondContact O-N 2.79Å; L410-S414 PolarHBondContact O-OG 3.47Å; H411-S414 PolarHBondContact O-N 3.06Å; K412-S414 PolarHBondContact O-N 3.02Å; S414-R418 WeakPolarHBondContact O-CG 3.48Å; S414-R418 PolarHBondContact O-N 3.48Å; S414-R418 PolarHBondContact O-NE 3.13Å
415M90.6Very high88Confident99 Ų9981.4 Ų81.449%0.48840%0.401SS..Hα-helixtrans-69.3-45.9173-69.1-74.3-85.700111.9H411 K412 Y413 K417 R418 Q419H411-M415 WeakPolarHBondContact O-CG 3.46Å; H411-M415 PolarHBondContact O-N 2.92Å; K412-M415 WeakPolarHBondContact O-CB 3.13Å; K412-M415 PolarHBondContact O-N 2.85Å; Y413-M415 VanDerWaalsContact C-N 3.27Å; Y413-M415 PolarHBondContact O-N 3.41Å; M415-K417 PolarHBondContact O-N 3.49Å; M415-R418 PolarHBondContact O-N 2.94Å; M415-R418 PolarHBondContact SD-NH2 3.32Å; M415-Q419 WeakPolarHBondContact O-CG 3.47Å; M415-Q419 PolarHBondContact O-N 2.83Å
416M88.1Confident87.1Confident11 Ų1182.3 Ų82.35%0.05441%0.405CS..Hα-helixtrans-63.4-41.2179.1-69.9170.461.300111.9K412 Y413 R418 Q419 M420 R439 I440 Q443K412-M416 HydrophobicContact CG-SD 4.03Å; K412-M416 WeakPolarHBondContact O-CG 3.36Å; K412-M416 PolarHBondContact O-N 2.94Å; Y413-M416 PolarHBondContact O-N 3.44Å; Y413-M416 VanDerWaalsContact O-N 3.16Å; M416-R418 PolarHBondContact O-N 2.75Å; M416-Q419 WeakPolarHBondContact O-CB 3.3Å; M416-Q419 PolarHBondContact O-N 3.45Å; M416-M420 PolarHBondContact O-N 2.83Å; M416-R439 VanDerWaalsContact CE-C 3.47Å; M416-R439 HydrophobicContact CE-CB 3.55Å; M416-R439 WeakPolarHBondContact CE-O 3.44Å; M416-I440 HydrophobicContact CB-CG1 4.05Å; M416-I440 HydrophobicContact CE-CG1 3.97Å; M416-Q443 HydrophobicContact CE-CB 4.41Å; M416-Q443 HydrophobicContact SD-CB 4.43Å; M416-Q443 HydrophobicContact SD-CG 4.31Å
417K87.3Confident85.7Confident105 Ų10586.7 Ų86.746%0.45744%0.438SS..Hα-helixtrans-61.9-41.3175.8-167.1172.9-174.5168.70112Y413 M415 M420 M421Y413-K417 HydrophobicContact CE1-CD 4.26Å; Y413-K417 WeakPolarHBondContact O-CB 3.29Å; Y413-K417 PolarHBondContact O-N 3.28Å; M415-K417 PolarHBondContact O-N 3.49Å; K417-M420 PolarHBondContact O-N 2.93Å; K417-M421 WeakPolarHBondContact O-CG 3.27Å; K417-M421 PolarHBondContact O-N 3.31Å
418R88.3Confident84.3Confident162 Ų16288 Ų8861%0.61144%0.442SS*.Hα-helixtrans-63.8-40.6173.5-77.8-171.8-73.9-178.9-4.5112.6S414 M415 M416 M421 S422S414-R418 WeakPolarHBondContact O-CG 3.48Å; S414-R418 PolarHBondContact O-N 3.48Å; S414-R418 PolarHBondContact O-NE 3.13Å; M415-R418 PolarHBondContact O-N 2.94Å; M415-R418 PolarHBondContact SD-NH2 3.32Å; M416-R418 PolarHBondContact O-N 2.75Å; R418-M421 PolarHBondContact O-N 3.33Å; R418-S422 PolarHBondContact O-N 3.37Å; R418-S422 VanDerWaalsContact O-N 3.07Å; R418-S422 PolarHBondContact O-OG 3.37Å
419Q86.1Confident83.2Confident101 Ų10188.8 Ų88.847%0.47245%0.448SS..Hα-helixtrans-66-37.5175.9-73175.6-11.500112.5M415 M416 S422 A423M415-Q419 WeakPolarHBondContact O-CG 3.47Å; M415-Q419 PolarHBondContact O-N 2.83Å; M416-Q419 WeakPolarHBondContact O-CB 3.3Å; M416-Q419 PolarHBondContact O-N 3.45Å; Q419-S422 PolarHBondContact O-N 3.32Å; Q419-S422 PolarHBondContact O-OG 3.3Å; Q419-A423 VanDerWaalsContact O-CB 3.31Å; Q419-A423 WeakPolarHBondContact O-CB 3.4Å; Q419-A423 PolarHBondContact O-N 3.38Å
420M83.1Confident82Confident47 Ų4796.1 Ų96.123%0.23248%0.481CS..Hα-helixtrans-63.2-49.9174.1-176.4-174176.900110.4M416 K417 S422 A423 T424 E437 I440M416-M420 PolarHBondContact O-N 2.83Å; K417-M420 PolarHBondContact O-N 2.93Å; M420-S422 VanDerWaalsContact C-N 3.26Å; M420-S422 PolarHBondContact O-N 2.92Å; M420-A423 PolarHBondContact O-N 2.94Å; M420-A423 VanDerWaalsContact O-N 3.11Å; M420-T424 PolarHBondContact O-N 2.99Å; M420-T424 PolarHBondContact O-OG1 3.38Å; M420-E437 HydrophobicContact CE-CG 3.4Å; M420-E437 VanDerWaalsContact CE-CG 3.4Å; M420-E437 WeakPolarHBondContact CE-OE1 3.33Å; M420-E437 HydrophobicContact SD-CG 4.2Å; M420-I440 HydrophobicContact CB-CD1 3.83Å; M420-I440 HydrophobicContact CG-CD1 4.14Å; M420-I440 HydrophobicContact SD-CD1 3.43Å; M420-I440 WeakPolarHBondContact SD-CD1 3.49Å
421M83.4Confident80.7Confident127 Ų12795.6 Ų95.663%0.62649%0.487SS*.Hα-helixtrans-56.9-39177.5-69.6178.474.700112.4K417 R418 V425K417-M421 WeakPolarHBondContact O-CG 3.27Å; K417-M421 PolarHBondContact O-N 3.31Å; R418-M421 PolarHBondContact O-N 3.33Å; M421-V425 WeakPolarHBondContact O-CG2 3.39Å; M421-V425 PolarHBondContact O-N 2.99Å
422S84.3Confident80Confident57 Ų5791 Ų9140%0.39947%0.47SS..Hα-helixtrans-73.7-36.5176.665.40000113.4R418 Q419 M420 V425 Q426R418-S422 PolarHBondContact O-N 3.37Å; R418-S422 VanDerWaalsContact O-N 3.07Å; R418-S422 PolarHBondContact O-OG 3.37Å; Q419-S422 PolarHBondContact O-N 3.32Å; Q419-S422 PolarHBondContact O-OG 3.3Å; M420-S422 VanDerWaalsContact C-N 3.26Å; M420-S422 PolarHBondContact O-N 2.92Å; S422-V425 PolarHBondContact O-N 2.74Å; S422-Q426 WeakPolarHBondContact O-CB 3.39Å; S422-Q426 VanDerWaalsContact O-CG 3.31Å; S422-Q426 WeakPolarHBondContact O-CG 3.36Å; S422-Q426 PolarHBondContact O-N 3.44Å
423A80.6Confident79.4Confident5 Ų587.1 Ų87.14%0.04145%0.454CS..Hα-helixtrans-67.3-38.1177.400000112.6Q419 M420 Q426 S427 K428 L436Q419-A423 VanDerWaalsContact O-CB 3.31Å; Q419-A423 WeakPolarHBondContact O-CB 3.4Å; Q419-A423 PolarHBondContact O-N 3.38Å; M420-A423 PolarHBondContact O-N 2.94Å; M420-A423 VanDerWaalsContact O-N 3.11Å; A423-Q426 PolarHBondContact O-N 2.85Å; A423-S427 PolarHBondContact O-N 2.94Å; A423-K428 HydrophobicContact CB-CD 4.37Å; A423-K428 PolarHBondContact O-N 3.35Å; A423-L436 HydrophobicContact CB-CD1 4.34Å
424T77.2Confident79.1Confident86 Ų8690.7 Ų90.753%0.52847%0.473SS..Hα-helixtrans-66.9-36.3175.2-50.20000111.8M420M420-T424 PolarHBondContact O-N 2.99Å; M420-T424 PolarHBondContact O-OG1 3.38Å
425V76.6Confident78.8Confident125 Ų12594.4 Ų94.476%0.75848%0.483SS*.Hα-helixtrans-72.8-29.2176.5172.40000112.2M421 S422M421-V425 WeakPolarHBondContact O-CG2 3.39Å; M421-V425 PolarHBondContact O-N 2.99Å; S422-V425 PolarHBondContact O-N 2.74Å
426Q74.2Confident78.4Confident128 Ų12891.1 Ų91.160%0.59847%0.468SS*.THydrogen-bonded Turntrans-88.96.5-178.4-72.3179.8-5.100114.6S422 A423 K428S422-Q426 WeakPolarHBondContact O-CB 3.39Å; S422-Q426 VanDerWaalsContact O-CG 3.31Å; S422-Q426 WeakPolarHBondContact O-CG 3.36Å; S422-Q426 PolarHBondContact O-N 3.44Å; A423-Q426 PolarHBondContact O-N 2.85Å; Q426-K428 HydrophobicContact CB-CG 4.45Å; Q426-K428 PolarHBondContact O-N 3.07Å
427S64.4Low78.3Confident115 Ų11594.7 Ų94.780%0.80448%0.484SS*.THydrogen-bonded Turntrans4742-176.9-67.40000113.8A423A423-S427 PolarHBondContact O-N 2.94Å
428K64.1Low78.3Confident119 Ų11992.8 Ų92.852%0.51748%0.484SS..  trans-65.9157.7172.9-77-173.9175.4-178.80111.1A423 Q426 Q430A423-K428 HydrophobicContact CB-CD 4.37Å; A423-K428 PolarHBondContact O-N 3.35Å; Q426-K428 HydrophobicContact CB-CG 4.45Å; Q426-K428 PolarHBondContact O-N 3.07Å; K428-Q430 PolarHBondContact O-N 3.34Å
429E69.4Low78.3Confident159 Ų15991.4 Ų91.474%0.74348%0.479SS*.  trans-45.6131.1179.6-73.6-179.1162.700112.1A431 S432 V433E429-A431 PolarHBondContact O-N 2.84Å; E429-S432 WeakPolarHBondContact O-CB 3.42Å; E429-S432 PolarHBondContact O-N 3.39Å; E429-S432 PolarHBondContact O-OG 2.99Å; E429-V433 PolarHBondContact O-N 3.12Å
430Q66.9Low78.5Confident162 Ų16287.2 Ų87.276%0.75746%0.46SS*.Hα-helixtrans-56.1-36.4-174.7-142.4143.8-16.400112.5K428 S432 V433 E434K428-Q430 PolarHBondContact O-N 3.34Å; Q430-S432 VanDerWaalsContact C-N 3.29Å; Q430-S432 PolarHBondContact O-N 3.01Å; Q430-V433 PolarHBondContact O-N 3.11Å; Q430-E434 PolarHBondContact O-N 3.11Å; Q430-E434 VanDerWaalsContact O-N 3.08Å
431A65.6Low78.8Confident56 Ų5689.4 Ų89.446%0.46348%0.475SS..Hα-helixtrans-62.1-3117500000113.7E429 Q435E429-A431 PolarHBondContact O-N 2.84Å; A431-Q435 WeakPolarHBondContact O-CG 3.38Å; A431-Q435 PolarHBondContact O-N 3.46Å
432S76.9Confident79Confident37 Ų3789.5 Ų89.526%0.25947%0.474SS..Hα-helixtrans-75.5-30.3177.375.10000112.5E429 Q430 L436E429-S432 WeakPolarHBondContact O-CB 3.42Å; E429-S432 PolarHBondContact O-N 3.39Å; E429-S432 PolarHBondContact O-OG 2.99Å; Q430-S432 VanDerWaalsContact C-N 3.29Å; Q430-S432 PolarHBondContact O-N 3.01Å; S432-L436 WeakPolarHBondContact O-CG 3.39Å; S432-L436 PolarHBondContact O-N 3.31Å
433V79.4Confident79.3Confident22 Ų2287.7 Ų87.713%0.13346%0.46CS..Hα-helixtrans-73.9-44.6177.2-179.60000110.2E429 Q430 Q435 L436 E437E429-V433 PolarHBondContact O-N 3.12Å; Q430-V433 PolarHBondContact O-N 3.11Å; V433-Q435 VanDerWaalsContact C-N 3.33Å; V433-Q435 PolarHBondContact O-N 3.32Å; V433-L436 WeakPolarHBondContact O-CB 3.4Å; V433-L436 PolarHBondContact O-N 2.88Å; V433-L436 VanDerWaalsContact O-N 3.08Å; V433-E437 WeakPolarHBondContact O-CG 3.32Å; V433-E437 PolarHBondContact O-N 3.12Å
434E83.1Confident79.8Confident122 Ų12291.4 Ų91.457%0.5748%0.476SS*.Hα-helixtrans-60.4-39.9175.9-72174.9-173.600112.5Q430 L436 E437 S438Q430-E434 PolarHBondContact O-N 3.11Å; Q430-E434 VanDerWaalsContact O-N 3.08Å; E434-L436 VanDerWaalsContact C-N 3.34Å; E434-L436 PolarHBondContact O-N 3.44Å; E434-E437 PolarHBondContact O-N 3.22Å; E434-S438 PolarHBondContact O-N 3.48Å
435Q84.9Confident80.4Confident137 Ų13790.7 Ų90.764%0.6447%0.474SS*.Hα-helixtrans-64.3-37.7174-74.8179.25.300112.4A431 V433 R439A431-Q435 WeakPolarHBondContact O-CG 3.38Å; A431-Q435 PolarHBondContact O-N 3.46Å; V433-Q435 VanDerWaalsContact C-N 3.33Å; V433-Q435 PolarHBondContact O-N 3.32Å; Q435-R439 VanDerWaalsContact O-CG 3.27Å; Q435-R439 WeakPolarHBondContact O-CG 3.36Å; Q435-R439 PolarHBondContact O-N 3.19Å
436L82.6Confident81.1Confident30 Ų3086.5 Ų86.516%0.15745%0.453CS..Hα-helixtrans-68.4-40.7175.7-76.2168.8000111.5A423 S432 V433 E434 R439 I440A423-L436 HydrophobicContact CB-CD1 4.34Å; S432-L436 WeakPolarHBondContact O-CG 3.39Å; S432-L436 PolarHBondContact O-N 3.31Å; V433-L436 WeakPolarHBondContact O-CB 3.4Å; V433-L436 PolarHBondContact O-N 2.88Å; V433-L436 VanDerWaalsContact O-N 3.08Å; E434-L436 VanDerWaalsContact C-N 3.34Å; E434-L436 PolarHBondContact O-N 3.44Å; L436-R439 PolarHBondContact O-N 3.22Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.45Å; L436-I440 PolarHBondContact O-N 3.18Å
437E85.8Confident82Confident87 Ų8781.3 Ų81.341%0.40743%0.429SS..Hα-helixtrans-60.3-49.1175.1-76.1177.6179.500111.9M420 V433 E434 R439 I440 V441M420-E437 HydrophobicContact CE-CG 3.4Å; M420-E437 VanDerWaalsContact CE-CG 3.4Å; M420-E437 WeakPolarHBondContact CE-OE1 3.33Å; M420-E437 HydrophobicContact SD-CG 4.2Å; V433-E437 WeakPolarHBondContact O-CG 3.32Å; V433-E437 PolarHBondContact O-N 3.12Å; E434-E437 PolarHBondContact O-N 3.22Å; E437-R439 VanDerWaalsContact C-N 3.28Å; E437-R439 PolarHBondContact O-N 3.06Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 3.32Å; E437-V441 PolarHBondContact O-N 3.47Å
438S87.9Confident83.3Confident64 Ų6481.6 Ų81.645%0.44842%0.418SS..Hα-helixtrans-56.5-43176.1178.30000112E434 I440 V441 Q442E434-S438 PolarHBondContact O-N 3.48Å; S438-I440 VanDerWaalsContact C-N 3.34Å; S438-I440 PolarHBondContact O-N 2.85Å; S438-V441 PolarHBondContact O-N 3.09Å; S438-Q442 WeakPolarHBondContact O-CG 3.32Å; S438-Q442 PolarHBondContact O-N 2.93Å
439R88.3Confident84.6Confident133 Ų13379 Ų7950%0.50241%0.412SS..Hα-helixtrans-66.5-33.9176-70.5175.266.4-171.91112.7M416 Q435 L436 E437 Q443M416-R439 VanDerWaalsContact CE-C 3.47Å; M416-R439 HydrophobicContact CE-CB 3.55Å; M416-R439 WeakPolarHBondContact CE-O 3.44Å; Q435-R439 VanDerWaalsContact O-CG 3.27Å; Q435-R439 WeakPolarHBondContact O-CG 3.36Å; Q435-R439 PolarHBondContact O-N 3.19Å; L436-R439 PolarHBondContact O-N 3.22Å; E437-R439 VanDerWaalsContact C-N 3.28Å; E437-R439 PolarHBondContact O-N 3.06Å; R439-Q443 WeakPolarHBondContact O-CB 3.41Å; R439-Q443 PolarHBondContact O-N 3.28Å
440I88.7Confident85.7Confident14 Ų1473.4 Ų73.47%0.07239%0.386CS..Hα-helixtrans-66.1-47.7176.2-74.7168.4000110Y413 M416 M420 L436 E437 S438 Q442 Q443 E444Y413-I440 HydrophobicContact CD2-CG2 4.39Å; Y413-I440 HydrophobicContact CE2-CG2 3.79Å; M416-I440 HydrophobicContact CB-CG1 4.05Å; M416-I440 HydrophobicContact CE-CG1 3.97Å; M420-I440 HydrophobicContact CB-CD1 3.83Å; M420-I440 HydrophobicContact CG-CD1 4.14Å; M420-I440 HydrophobicContact SD-CD1 3.43Å; M420-I440 WeakPolarHBondContact SD-CD1 3.49Å; L436-I440 VanDerWaalsContact O-CG1 3.28Å; L436-I440 WeakPolarHBondContact O-CG1 3.45Å; L436-I440 PolarHBondContact O-N 3.18Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 3.32Å; S438-I440 VanDerWaalsContact C-N 3.34Å; S438-I440 PolarHBondContact O-N 2.85Å; I440-Q442 VanDerWaalsContact C-N 3.35Å; I440-Q442 PolarHBondContact O-N 3.35Å; I440-Q443 CarbonylContact O-C 3.56Å; I440-Q443 WeakPolarHBondContact O-CA 3.22Å; I440-Q443 WeakPolarHBondContact O-CB 3.4Å; I440-Q443 PolarHBondContact O-N 3.12Å; I440-E444 WeakPolarHBondContact O-CG 3.35Å; I440-E444 PolarHBondContact O-N 2.74Å
441V90.1Very high87Confident92 Ų9268.5 Ų68.556%0.55836%0.363SS*.Hα-helixtrans-60.5-43.7177.71750000111.4E437 S438 Q443 E444 S445E437-V441 PolarHBondContact O-N 3.47Å; S438-V441 PolarHBondContact O-N 3.09Å; V441-Q443 VanDerWaalsContact C-N 3.28Å; V441-Q443 PolarHBondContact O-N 3.46Å; V441-E444 PolarHBondContact O-N 3Å; V441-S445 PolarHBondContact O-N 2.88Å
442Q88.9Confident88.3Confident129 Ų12968 Ų6860%0.60335%0.353SS*.Hα-helixtrans-60-39.8173.8-72.2175.62.700112.1S438 I440 A446S438-Q442 WeakPolarHBondContact O-CG 3.32Å; S438-Q442 PolarHBondContact O-N 2.93Å; I440-Q442 VanDerWaalsContact C-N 3.35Å; I440-Q442 PolarHBondContact O-N 3.35Å; Q442-A446 PolarHBondContact O-N 3.3Å; Q442-A446 VanDerWaalsContact O-N 3.07Å
443Q90.4Very high89.2Confident20 Ų2069 Ų699%0.09335%0.351CS..Hα-helixtrans-69.6-34.7178-172.163.553.100112.1A409 Y413 M416 R439 I440 V441 A446 I447A409-Q443 PolarHBondContact O-NE2 3.1Å; Y413-Q443 HydrophobicContact CD2-CG 4.39Å; M416-Q443 HydrophobicContact CE-CB 4.41Å; M416-Q443 HydrophobicContact SD-CB 4.43Å; M416-Q443 HydrophobicContact SD-CG 4.31Å; R439-Q443 WeakPolarHBondContact O-CB 3.41Å; R439-Q443 PolarHBondContact O-N 3.28Å; I440-Q443 CarbonylContact O-C 3.56Å; I440-Q443 WeakPolarHBondContact O-CA 3.22Å; I440-Q443 WeakPolarHBondContact O-CB 3.4Å; I440-Q443 PolarHBondContact O-N 3.12Å; V441-Q443 VanDerWaalsContact C-N 3.28Å; V441-Q443 PolarHBondContact O-N 3.46Å; Q443-A446 PolarHBondContact O-N 3.49Å; Q443-I447 HydrophobicContact CG-CD1 4.2Å; Q443-I447 VanDerWaalsContact O-CG1 3.27Å; Q443-I447 WeakPolarHBondContact O-CG1 3.39Å; Q443-I447 PolarHBondContact O-N 2.9Å
444E90.7Very high90Very high82 Ų8268.6 Ų68.638%0.38335%0.348SS..Hα-helixtrans-64.2-46.4173.8-73.2178.3162.500111.6Y413 I440 V441 A446 I447 Q448Y413-E444 HydrophobicContact CD2-CG 3.94Å; Y413-E444 HydrophobicContact CE2-CG 3.31Å; Y413-E444 WeakPolarHBondContact CE2-OE1 3.45Å; Y413-E444 VanDerWaalsContact CZ-OE1 3.32Å; Y413-E444 PolarHBondContact OH-OE1 3.44Å; I440-E444 WeakPolarHBondContact O-CG 3.35Å; I440-E444 PolarHBondContact O-N 2.74Å; V441-E444 PolarHBondContact O-N 3Å; E444-A446 VanDerWaalsContact C-N 3.3Å; E444-A446 PolarHBondContact O-N 2.91Å; E444-I447 PolarHBondContact O-N 3.47Å; E444-Q448 PolarHBondContact O-N 3.48Å
445S90.3Very high90.6Very high71 Ų7165.4 Ų65.450%0.49733%0.331SS..Hα-helixtrans-60.2-40.8175.21790000112.1V441 Q448 T449V441-S445 PolarHBondContact O-N 2.88Å; S445-Q448 PolarHBondContact O-N 2.93Å; S445-T449 PolarHBondContact O-N 2.94Å; S445-T449 VanDerWaalsContact O-N 3.11Å; S445-T449 PolarHBondContact O-OG1 3.46Å
446A89.9Confident91.2Very high38 Ų3858.9 Ų58.931%0.31430%0.301SS..Hα-helixtrans-64-44.2174.600000111.9Q442 Q443 E444 Q448 T449 M450Q442-A446 PolarHBondContact O-N 3.3Å; Q442-A446 VanDerWaalsContact O-N 3.07Å; Q443-A446 PolarHBondContact O-N 3.49Å; E444-A446 VanDerWaalsContact C-N 3.3Å; E444-A446 PolarHBondContact O-N 2.91Å; A446-Q448 PolarHBondContact O-N 3.23Å; A446-T449 PolarHBondContact O-N 3.16Å; A446-M450 WeakPolarHBondContact O-CG 3.41Å; A446-M450 PolarHBondContact O-N 3.37Å
447I92.7Very high91.9Very high18 Ų1857.5 Ų57.59%0.09229%0.294CS..Hα-helixtrans-59.6-46.5176.9-75163.4000110.9A409 L410 Y413 Q443 E444 T449 M450 E451A409-I447 HydrophobicContact CB-CG1 3.84Å; L410-I447 HydrophobicContact CD2-CD1 4.22Å; L410-I447 HydrophobicContact CD2-CG1 4.49Å; L410-I447 HydrophobicContact CD2-CG2 3.74Å; L410-I447 HydrophobicContact CG-CG2 4.49Å; Y413-I447 HydrophobicContact CD1-CD1 4.4Å; Y413-I447 HydrophobicContact CD2-CD1 4.16Å; Y413-I447 HydrophobicContact CG-CD1 3.75Å; Q443-I447 HydrophobicContact CG-CD1 4.2Å; Q443-I447 VanDerWaalsContact O-CG1 3.27Å; Q443-I447 WeakPolarHBondContact O-CG1 3.39Å; Q443-I447 PolarHBondContact O-N 2.9Å; E444-I447 PolarHBondContact O-N 3.47Å; I447-T449 VanDerWaalsContact C-N 3.3Å; I447-T449 PolarHBondContact O-N 3.35Å; I447-M450 PolarHBondContact O-N 3.32Å; I447-M450 VanDerWaalsContact O-N 3.14Å; I447-E451 WeakPolarHBondContact O-CB 3.27Å; I447-E451 PolarHBondContact O-N 2.67Å
448Q92Very high92.4Very high122 Ų12253.6 Ų53.657%0.5728%0.275SS*.Hα-helixtrans-59.2-44.2179-171.6178.31500111.2E444 S445 A446 M450 E451 L452E444-Q448 PolarHBondContact O-N 3.48Å; S445-Q448 PolarHBondContact O-N 2.93Å; A446-Q448 PolarHBondContact O-N 3.23Å; Q448-M450 VanDerWaalsContact C-N 3.32Å; Q448-M450 PolarHBondContact O-N 3.41Å; Q448-E451 PolarHBondContact O-N 3.44Å; Q448-L452 WeakPolarHBondContact O-CG 3.4Å; Q448-L452 PolarHBondContact O-N 3.28Å
449T91.3Very high92.8Very high64 Ų6450.6 Ų50.639%0.39325%0.254SS..Hα-helixtrans-61.7-41.5176.8-570000111.8S445 A446 I447 R453S445-T449 PolarHBondContact O-N 2.94Å; S445-T449 VanDerWaalsContact O-N 3.11Å; S445-T449 PolarHBondContact O-OG1 3.46Å; A446-T449 PolarHBondContact O-N 3.16Å; I447-T449 VanDerWaalsContact C-N 3.3Å; I447-T449 PolarHBondContact O-N 3.35Å; T449-R453 WeakPolarHBondContact O-CG 3.46Å; T449-R453 PolarHBondContact O-N 3.01Å
450M93Very high93.1Very high41 Ų4144.3 Ų44.320%0.20223%0.23CC..Hα-helixtrans-70.8-36.1178.8-65.7173.892.800112.4E405 H406 A409 A446 I447 Q448 R453 N454E405-M450 HydrophobicContact CB-CE 3.29Å; E405-M450 VanDerWaalsContact O-CE 3.22Å; E405-M450 WeakPolarHBondContact O-CE 3.5Å; H406-M450 HydrophobicContact CB-CB 4.23Å; A409-M450 HydrophobicContact CB-CE 4.26Å; A409-M450 HydrophobicContact CB-SD 3.54Å; A409-M450 VanDerWaalsContact CB-SD 3.54Å; A446-M450 WeakPolarHBondContact O-CG 3.41Å; A446-M450 PolarHBondContact O-N 3.37Å; I447-M450 PolarHBondContact O-N 3.32Å; I447-M450 VanDerWaalsContact O-N 3.14Å; Q448-M450 VanDerWaalsContact C-N 3.32Å; Q448-M450 PolarHBondContact O-N 3.41Å; M450-R453 PolarHBondContact O-N 3.09Å; M450-N454 VanDerWaalsContact O-CB 3.3Å; M450-N454 WeakPolarHBondContact O-CB 3.21Å; M450-N454 PolarHBondContact O-N 3.49Å
451E94Very high93.5Very high59 Ų5943.7 Ų43.728%0.27623%0.227SC..Hα-helixtrans-61.7-47.8174.1-174.8-176.8-176.100110.3K272 I447 Q448 R453 N454 Y455K272-E451 IonicContact NZ-OE1 2.74Å; K272-E451 PolarHBondContact NZ-OE1 2.81Å; I447-E451 WeakPolarHBondContact O-CB 3.27Å; I447-E451 PolarHBondContact O-N 2.67Å; Q448-E451 PolarHBondContact O-N 3.44Å; E451-R453 PolarHBondContact O-N 3.16Å; E451-N454 WeakPolarHBondContact O-CB 3.37Å; E451-N454 PolarHBondContact O-N 3.05Å; E451-Y455 HydrophobicContact CG-CD2 3.88Å; E451-Y455 HydrophobicContact CG-CE2 3.48Å; E451-Y455 VanDerWaalsContact CG-CE2 3.48Å; E451-Y455 WeakPolarHBondContact O-CD2 3.45Å; E451-Y455 PolarHBondContact O-N 3.06Å; E451-Y455 WeakPolarHBondContact OE1-CE2 3.33Å
452L94.4Very high93.8Very high47 Ų4741.6 Ų41.625%0.24621%0.211CC..Hα-helixtrans-60.1-45.8176-67.4179000111.8F262 T269 Q448 N454 Y455 F456F262-L452 HydrophobicContact CE2-CB 4.09Å; F262-L452 HydrophobicContact CZ-CB 3.85Å; T269-L452 HydrophobicContact CG2-CD1 4.36Å; T269-L452 WeakPolarHBondContact O-CD2 3.46Å; Q448-L452 WeakPolarHBondContact O-CG 3.4Å; Q448-L452 PolarHBondContact O-N 3.28Å; L452-N454 VanDerWaalsContact C-N 3.3Å; L452-N454 PolarHBondContact O-N 2.7Å; L452-Y455 PolarHBondContact O-N 3.32Å; L452-F456 WeakPolarHBondContact O-CB 3.33Å; L452-F456 PolarHBondContact O-N 2.95Å
453R95.8Very high94.1Very high58 Ų5836.5 Ų36.522%0.21919%0.187CC..Hα-helixtrans-62.4-36.9175.6-78.2-178.1172.2-98.71112.5Y185 D260 F262 V402 T449 M450 E451 F456 S457Y185-R453 PolarHBondContact OH-NH1 3.29Å; Y185-R453 VanDerWaalsContact OH-NH1 3.07Å; D260-R453 IonicContact OD1-NH2 3.21Å; D260-R453 IonicContact OD2-CZ 3.72Å; D260-R453 VanDerWaalsContact OD2-CZ 3.27Å; D260-R453 IonicContact OD2-NH1 2.86Å; D260-R453 PolarHBondContact OD2-NH1 2.88Å; D260-R453 IonicContact OD2-NH2 2.78Å; D260-R453 PolarHBondContact OD2-NH2 3.17Å; F262-R453 HydrophobicContact CD1-CG 3.97Å; F262-R453 HydrophobicContact CD2-CB 4.37Å; F262-R453 HydrophobicContact CD2-CG 3.59Å; F262-R453 HydrophobicContact CE1-CG 3.94Å; F262-R453 HydrophobicContact CE2-CB 4.27Å; F262-R453 HydrophobicContact CE2-CG 3.59Å; F262-R453 HydrophobicContact CG-CG 3.8Å; F262-R453 HydrophobicContact CZ-CG 3.76Å; V402-R453 HydrophobicContact CG2-CB 3.91Å; T449-R453 WeakPolarHBondContact O-CG 3.46Å; T449-R453 PolarHBondContact O-N 3.01Å; M450-R453 PolarHBondContact O-N 3.09Å; E451-R453 PolarHBondContact O-N 3.16Å; R453-F456 PolarHBondContact O-N 3.31Å; R453-S457 WeakPolarHBondContact O-CB 3.44Å; R453-S457 PolarHBondContact O-N 3.38Å
454N95.9Very high94.4Very high12 Ų1235.5 Ų35.56%0.06418%0.183CC..Hα-helixtrans-64.9-45.9176.4-177.763.6000111.4H398 V402 M450 E451 L452 S457 L458H398-N454 PolarHBondContact CE1-OD1 3.05Å; V402-N454 HydrophobicContact CG2-CB 4.25Å; M450-N454 VanDerWaalsContact O-CB 3.3Å; M450-N454 WeakPolarHBondContact O-CB 3.21Å; M450-N454 PolarHBondContact O-N 3.49Å; E451-N454 WeakPolarHBondContact O-CB 3.37Å; E451-N454 PolarHBondContact O-N 3.05Å; L452-N454 VanDerWaalsContact C-N 3.3Å; L452-N454 PolarHBondContact O-N 2.7Å; N454-S457 WeakPolarHBondContact O-CB 3.35Å; N454-S457 PolarHBondContact O-N 2.93Å; N454-L458 PolarHBondContact O-N 3.11Å
455Y95.6Very high94.7Very high56 Ų5632.2 Ų32.222%0.2217%0.168CC..Hα-helixtrans-63.7-43.2174.4-74-59.9000112.2K272 L275 E451 L452 S457 L458 F459K272-Y455 HydrophobicContact CB-CD1 4.16Å; K272-Y455 HydrophobicContact CB-CD2 3.81Å; K272-Y455 HydrophobicContact CB-CE2 4.17Å; K272-Y455 HydrophobicContact CB-CG 3.8Å; K272-Y455 HydrophobicContact CD-CD2 3.88Å; K272-Y455 HydrophobicContact CD-CE1 4.36Å; K272-Y455 HydrophobicContact CD-CE2 3.39Å; K272-Y455 VanDerWaalsContact CE-CZ 3.49Å; K272-Y455 WeakPolarHBondContact CE-OH 3.42Å; K272-Y455 HydrophobicContact CG-CD1 4.09Å; K272-Y455 HydrophobicContact CG-CD2 3.94Å; K272-Y455 HydrophobicContact CG-CE1 3.94Å; K272-Y455 HydrophobicContact CG-CE2 3.76Å; K272-Y455 HydrophobicContact CG-CG 4.1Å; K272-Y455 PolarHBondContact NZ-OH 3.22Å; L275-Y455 HydrophobicContact CD1-CD1 3.91Å; L275-Y455 WeakPolarHBondContact CD1-O 3.37Å; E451-Y455 HydrophobicContact CG-CD2 3.88Å; E451-Y455 HydrophobicContact CG-CE2 3.48Å; E451-Y455 VanDerWaalsContact CG-CE2 3.48Å; E451-Y455 WeakPolarHBondContact O-CD2 3.45Å; E451-Y455 PolarHBondContact O-N 3.06Å; E451-Y455 WeakPolarHBondContact OE1-CE2 3.33Å; L452-Y455 PolarHBondContact O-N 3.32Å; Y455-S457 VanDerWaalsContact C-N 3.27Å; Y455-S457 PolarHBondContact O-N 3.46Å; Y455-L458 PolarHBondContact O-N 2.96Å; Y455-L458 VanDerWaalsContact O-N 3.16Å; Y455-F459 WeakPolarHBondContact O-CB 3.43Å; Y455-F459 PolarHBondContact O-N 3.48Å
456F96.6Very high95Very high0 Ų030.7 Ų30.70%015%0.153CC..Hα-helixtrans-61.4-38.2175.3-176.2-120.1000112.4Y185 E261 F262 N265 A268 A271 L452 R453 L458 F459 C460Y185-F456 AromaticContact CD2-CD1 3.57Å; Y185-F456 HydrophobicContact CD2-CD1 3.57Å; Y185-F456 AromaticContact CD2-CE1 3.68Å; Y185-F456 HydrophobicContact CD2-CE1 3.68Å; Y185-F456 AromaticContact CE2-CD1 3.72Å; Y185-F456 HydrophobicContact CE2-CD1 3.72Å; Y185-F456 HydrophobicContact CE2-CE1 4.08Å; E261-F456 HydrophobicContact CB-CE1 4.37Å; E261-F456 HydrophobicContact CG-CE1 4.1Å; E261-F456 HydrophobicContact CG-CZ 3.94Å; F262-F456 HydrophobicContact CB-CD1 4.06Å; F262-F456 HydrophobicContact CB-CE1 4.19Å; F262-F456 HydrophobicContact CD2-CB 3.84Å; F262-F456 AromaticContact CD2-CD1 3.66Å; F262-F456 HydrophobicContact CD2-CD1 3.66Å; F262-F456 HydrophobicContact CD2-CE1 4.49Å; F262-F456 AromaticContact CD2-CG 3.94Å; F262-F456 HydrophobicContact CD2-CG 3.94Å; F262-F456 HydrophobicContact CE2-CB 4.07Å; F262-F456 HydrophobicContact CG-CD1 4.36Å; N265-F456 HydrophobicContact CB-CE2 4.2Å; N265-F456 HydrophobicContact CB-CZ 3.85Å; A268-F456 VanDerWaalsContact CA-CD2 3.42Å; A268-F456 HydrophobicContact CB-CB 4.44Å; A268-F456 HydrophobicContact CB-CD1 4.13Å; A268-F456 HydrophobicContact CB-CD2 3.69Å; A268-F456 HydrophobicContact CB-CE1 4.25Å; A268-F456 HydrophobicContact CB-CE2 3.83Å; A268-F456 HydrophobicContact CB-CG 3.82Å; A268-F456 HydrophobicContact CB-CZ 4.11Å; A271-F456 HydrophobicContact CB-CB 4.17Å; A271-F456 HydrophobicContact CB-CD2 4.3Å; L452-F456 WeakPolarHBondContact O-CB 3.33Å; L452-F456 PolarHBondContact O-N 2.95Å; R453-F456 PolarHBondContact O-N 3.31Å; F456-L458 PolarHBondContact O-N 3.08Å; F456-F459 HydrophobicContact CD2-CD1 4.25Å; F456-F459 HydrophobicContact CE2-CD1 4.22Å; F456-F459 WeakPolarHBondContact O-CB 3.18Å; F456-F459 PolarHBondContact O-N 3.33Å; F456-C460 VanDerWaalsContact CZ-SG 3.55Å; F456-C460 PolarHBondContact O-N 3.47Å; F456-C460 PolarHBondContact O-SG 3.27Å
457S97.1Very high95.3Very high1 Ų129 Ų291%0.00714%0.139CC..Hα-helixtrans-63.2-39.5174.7-177.10000112.5Y185 H398 R453 N454 Y455 C460 L461Y185-S457 WeakPolarHBondContact CD1-OG 3.28Å; H398-S457 PolarHBondContact ND1-OG 3.36Å; R453-S457 WeakPolarHBondContact O-CB 3.44Å; R453-S457 PolarHBondContact O-N 3.38Å; N454-S457 WeakPolarHBondContact O-CB 3.35Å; N454-S457 PolarHBondContact O-N 2.93Å; Y455-S457 VanDerWaalsContact C-N 3.27Å; Y455-S457 PolarHBondContact O-N 3.46Å; S457-C460 PolarHBondContact O-N 2.94Å; S457-L461 WeakPolarHBondContact O-CB 3.44Å; S457-L461 WeakPolarHBondContact O-CG 3.22Å; S457-L461 PolarHBondContact O-N 3.23Å
458L96.5Very high95.5Very high5 Ų528.1 Ų28.13%0.02614%0.135CC..Hα-helixtrans-68-39.5175.5-73.3169.6000111.9L275 V279 N454 Y455 F456 L461 H462L275-L458 HydrophobicContact CD1-CB 3.93Å; V279-L458 HydrophobicContact CG1-CD1 4.17Å; V279-L458 HydrophobicContact CG2-CB 4.24Å; N454-L458 PolarHBondContact O-N 3.11Å; Y455-L458 PolarHBondContact O-N 2.96Å; Y455-L458 VanDerWaalsContact O-N 3.16Å; F456-L458 PolarHBondContact O-N 3.08Å; L458-L461 HydrophobicContact CD2-CD1 4.37Å; L458-L461 PolarHBondContact O-N 3.36Å; L458-H462 WeakPolarHBondContact O-CB 3.46Å; L458-H462 PolarHBondContact O-N 2.98Å
459F95.9Very high95.7Very high1 Ų125.8 Ų25.80%0.00412%0.123CC..Hα-helixtrans-58.8-48.3173.2172.6-83.4000111.3V120 L121 I267 A271 L275 Y455 F456 H462 Q463V120-F459 HydrophobicContact CG1-CE2 3.94Å; V120-F459 HydrophobicContact CG1-CZ 3.74Å; V120-F459 VanDerWaalsContact O-CZ 3.23Å; V120-F459 WeakPolarHBondContact O-CZ 3.29Å; L121-F459 HydrophobicContact CD2-CD2 3.34Å; L121-F459 HydrophobicContact CD2-CE2 3.56Å; L121-F459 HydrophobicContact CD2-CG 4.28Å; L121-F459 HydrophobicContact CG-CD2 4.19Å; L121-F459 HydrophobicContact CG-CE2 3.98Å; I267-F459 HydrophobicContact CG2-CE2 4.21Å; I267-F459 HydrophobicContact CG2-CZ 4.17Å; A271-F459 HydrophobicContact CB-CB 3.99Å; A271-F459 HydrophobicContact CB-CG 4.38Å; L275-F459 HydrophobicContact CD1-CB 4.45Å; L275-F459 HydrophobicContact CD2-CB 4.25Å; L275-F459 HydrophobicContact CG-CB 4.43Å; Y455-F459 WeakPolarHBondContact O-CB 3.43Å; Y455-F459 PolarHBondContact O-N 3.48Å; F456-F459 HydrophobicContact CD2-CD1 4.25Å; F456-F459 HydrophobicContact CE2-CD1 4.22Å; F456-F459 WeakPolarHBondContact O-CB 3.18Å; F456-F459 PolarHBondContact O-N 3.33Å; F459-H462 WeakPolarHBondContact O-CB 3.42Å; F459-H462 PolarHBondContact O-N 3.22Å; F459-Q463 VanDerWaalsContact CE1-CD 3.45Å; F459-Q463 HydrophobicContact CE1-CG 4.3Å; F459-Q463 HydrophobicContact CZ-CG 4.47Å; F459-Q463 PolarHBondContact O-N 3.24Å
460C96.5Very high95.9Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-63.3-46.8176.2-62.10000110.9Y185 R186 F456 S457 H462 Q463 E464Y185-C460 VanDerWaalsContact O-CB 3.27Å; Y185-C460 WeakPolarHBondContact O-CB 3.32Å; R186-C460 VanDerWaalsContact CZ-SG 3.55Å; R186-C460 PolarHBondContact NH2-SG 3.28Å; R186-C460 VanDerWaalsContact NH2-SG 3.4Å; F456-C460 VanDerWaalsContact CZ-SG 3.55Å; F456-C460 PolarHBondContact O-N 3.47Å; F456-C460 PolarHBondContact O-SG 3.27Å; S457-C460 PolarHBondContact O-N 2.94Å; C460-H462 PolarHBondContact O-N 3.42Å; C460-Q463 CarbonylContact O-C 3.57Å; C460-Q463 WeakPolarHBondContact O-CA 3.29Å; C460-Q463 WeakPolarHBondContact O-CB 3.48Å; C460-Q463 PolarHBondContact O-N 2.88Å; C460-E464 VanDerWaalsContact O-CG 3.28Å; C460-E464 WeakPolarHBondContact O-CG 3.5Å; C460-E464 PolarHBondContact O-N 2.61Å
461L96.8Very high96.1Very high2 Ų222.1 Ų22.11%0.0110%0.102CC..Hα-helixtrans-54.4-40.1176.5-90.4166.4000113.1F283 Y391 L394 H398 S457 L458 E464 T465F283-L461 HydrophobicContact CD2-CD1 3.85Å; F283-L461 HydrophobicContact CD2-CD2 4.23Å; F283-L461 HydrophobicContact CD2-CG 4.46Å; F283-L461 HydrophobicContact CE2-CD1 3.65Å; F283-L461 HydrophobicContact CE2-CD2 3.84Å; F283-L461 HydrophobicContact CE2-CG 4.33Å; F283-L461 HydrophobicContact CZ-CD1 4.3Å; Y391-L461 HydrophobicContact CE2-CD2 4.41Å; L394-L461 HydrophobicContact CD2-CD2 3.73Å; L394-L461 HydrophobicContact CD2-CG 4.39Å; L394-L461 HydrophobicContact CG-CD2 3.72Å; L394-L461 HydrophobicContact CG-CG 4.41Å; H398-L461 HydrophobicContact CB-CD1 3.68Å; H398-L461 VanDerWaalsContact CG-CD1 3.42Å; S457-L461 WeakPolarHBondContact O-CB 3.44Å; S457-L461 WeakPolarHBondContact O-CG 3.22Å; S457-L461 PolarHBondContact O-N 3.23Å; L458-L461 HydrophobicContact CD2-CD1 4.37Å; L458-L461 PolarHBondContact O-N 3.36Å; L461-E464 PolarHBondContact O-N 3.49Å; L461-T465 WeakPolarHBondContact O-CB 3.49Å; L461-T465 PolarHBondContact O-N 2.89Å; L461-T465 PolarHBondContact O-OG1 2.89Å
462H95.8Very high96.1Very high47 Ų4721.9 Ų21.922%0.21810%0.102CC..Hα-helixtrans-63.1-46.5176.5-179.182.9000111.5L458 F459 C460 T465 Q466L458-H462 WeakPolarHBondContact O-CB 3.46Å; L458-H462 PolarHBondContact O-N 2.98Å; F459-H462 WeakPolarHBondContact O-CB 3.42Å; F459-H462 PolarHBondContact O-N 3.22Å; C460-H462 PolarHBondContact O-N 3.42Å; H462-T465 WeakPolarHBondContact O-CB 3.38Å; H462-T465 PolarHBondContact O-N 2.88Å; H462-Q466 PolarHBondContact CD2-NE2 2.91Å; H462-Q466 PolarHBondContact NE2-NE2 3.01Å; H462-Q466 PolarHBondContact O-N 3.1Å; H462-Q466 VanDerWaalsContact O-N 3.17Å
463Q95.1Very high96.2Very high22 Ų2222.6 Ų22.610%0.10311%0.11CC..Hα-helixtrans-60.5-47.1174-76.9-173-2800112.2V120 L121 I123 F459 C460 T465 Q466 L467V120-Q463 PolarHBondContact O-NE2 2.95Å; L121-Q463 WeakPolarHBondContact O-CG 2.98Å; I123-Q463 HydrophobicContact CD1-CB 3.74Å; I123-Q463 HydrophobicContact CD1-CG 4.26Å; I123-Q463 HydrophobicContact CG1-CB 4.12Å; I123-Q463 HydrophobicContact CG1-CG 4.13Å; F459-Q463 VanDerWaalsContact CE1-CD 3.45Å; F459-Q463 HydrophobicContact CE1-CG 4.3Å; F459-Q463 HydrophobicContact CZ-CG 4.47Å; F459-Q463 PolarHBondContact O-N 3.24Å; C460-Q463 CarbonylContact O-C 3.57Å; C460-Q463 WeakPolarHBondContact O-CA 3.29Å; C460-Q463 WeakPolarHBondContact O-CB 3.48Å; C460-Q463 PolarHBondContact O-N 2.88Å; Q463-T465 VanDerWaalsContact C-N 3.28Å; Q463-T465 PolarHBondContact O-N 3.27Å; Q463-Q466 WeakPolarHBondContact O-CB 3.34Å; Q463-Q466 PolarHBondContact O-N 2.98Å; Q463-L467 PolarHBondContact O-N 2.86Å
464E97.4Very high96.1Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-63.2-35.5178-64.2-52126.100111.9R186 V187 H227 L394 C460 L461 L467 I468R186-E464 WeakPolarHBondContact CD-OE1 3.04Å; R186-E464 IonicContact CZ-OE1 2.8Å; R186-E464 IonicContact NE-OE1 3.03Å; R186-E464 IonicContact NH1-OE1 2.81Å; R186-E464 PolarHBondContact NH1-OE1 3.34Å; V187-E464 VanDerWaalsContact CB-OE2 3.28Å; V187-E464 WeakPolarHBondContact CB-OE2 3.37Å; V187-E464 HydrophobicContact CG2-CB 3.76Å; V187-E464 HydrophobicContact CG2-CG 3.92Å; V187-E464 WeakPolarHBondContact CG2-OE2 3.39Å; V187-E464 PolarHBondContact N-OE2 3.32Å; V187-E464 VanDerWaalsContact N-OE2 3.12Å; H227-E464 IonicContact CD2-OE2 3.88Å; H227-E464 IonicContact CE1-OE1 3.01Å; H227-E464 IonicContact NE2-OE1 3.03Å; H227-E464 PolarHBondContact NE2-OE1 3.41Å; H227-E464 IonicContact NE2-OE2 3.1Å; H227-E464 PolarHBondContact NE2-OE2 3.42Å; H227-E464 VanDerWaalsContact NE2-OE2 3.14Å; L394-E464 HydrophobicContact CD2-CB 3.93Å; L394-E464 HydrophobicContact CD2-CG 3.67Å; C460-E464 VanDerWaalsContact O-CG 3.28Å; C460-E464 WeakPolarHBondContact O-CG 3.5Å; C460-E464 PolarHBondContact O-N 2.61Å; L461-E464 PolarHBondContact O-N 3.49Å; E464-L467 WeakPolarHBondContact O-CB 3.42Å; E464-L467 PolarHBondContact O-N 2.96Å; E464-I468 WeakPolarHBondContact O-CG1 3.22Å; E464-I468 PolarHBondContact O-N 3.49Å
465T97Very high96.1Very high12 Ų1221.6 Ų21.67%0.07411%0.11CC..Hα-helixtrans-58.9-49.2173.6-610000110.3I290 Y391 L461 H462 Q463 L467 I468 F469I290-T465 HydrophobicContact CD1-CG2 4.23Å; Y391-T465 PolarHBondContact OH-OG1 3.46Å; Y391-T465 VanDerWaalsContact OH-OG1 3.05Å; L461-T465 WeakPolarHBondContact O-CB 3.49Å; L461-T465 PolarHBondContact O-N 2.89Å; L461-T465 PolarHBondContact O-OG1 2.89Å; H462-T465 WeakPolarHBondContact O-CB 3.38Å; H462-T465 PolarHBondContact O-N 2.88Å; Q463-T465 VanDerWaalsContact C-N 3.28Å; Q463-T465 PolarHBondContact O-N 3.27Å; T465-L467 VanDerWaalsContact C-N 3.27Å; T465-L467 PolarHBondContact O-N 2.93Å; T465-I468 WeakPolarHBondContact O-CB 3.46Å; T465-I468 PolarHBondContact O-N 3.04Å; T465-I468 VanDerWaalsContact O-N 3.14Å; T465-F469 HydrophobicContact CG2-CD2 3.94Å; T465-F469 HydrophobicContact CG2-CE2 3.63Å; T465-F469 WeakPolarHBondContact O-CD2 3.33Å; T465-F469 PolarHBondContact O-N 3.46Å
466Q95.4Very high96.1Very high39 Ų3922.1 Ų22.118%0.18213%0.126CC..Hα-helixtrans-58.4-41.6176.4-68.417354.200111.4L121 H462 Q463 I468 F469 T470L121-Q466 PolarHBondContact O-NE2 2.95Å; H462-Q466 PolarHBondContact CD2-NE2 2.91Å; H462-Q466 PolarHBondContact NE2-NE2 3.01Å; H462-Q466 PolarHBondContact O-N 3.1Å; H462-Q466 VanDerWaalsContact O-N 3.17Å; Q463-Q466 WeakPolarHBondContact O-CB 3.34Å; Q463-Q466 PolarHBondContact O-N 2.98Å; Q466-I468 VanDerWaalsContact C-N 3.32Å; Q466-I468 PolarHBondContact O-N 3.35Å; Q466-F469 CarbonylContact O-C 3.59Å; Q466-F469 WeakPolarHBondContact O-CA 3.32Å; Q466-F469 PolarHBondContact O-N 3.04Å; Q466-T470 PolarHBondContact O-N 3.49Å; Q466-T470 PolarHBondContact O-OG1 3.23Å; Q466-T470 VanDerWaalsContact O-OG1 3.11Å
467L96.1Very high96Very high2 Ų226 Ų261%0.0115%0.147CC..Hα-helixtrans-58.9-42176.8-173.163.3000112L130 H227 P228 Q463 E464 T465 F469 T470 Y471L130-L467 HydrophobicContact CD1-CD1 3.55Å; L130-L467 HydrophobicContact CD2-CD1 3.95Å; L130-L467 HydrophobicContact CG-CD1 4.43Å; H227-L467 WeakPolarHBondContact CD2-CD2 3.37Å; P228-L467 HydrophobicContact CG-CD1 4.12Å; Q463-L467 PolarHBondContact O-N 2.86Å; E464-L467 WeakPolarHBondContact O-CB 3.42Å; E464-L467 PolarHBondContact O-N 2.96Å; T465-L467 VanDerWaalsContact C-N 3.27Å; T465-L467 PolarHBondContact O-N 2.93Å; L467-F469 VanDerWaalsContact C-N 3.31Å; L467-F469 PolarHBondContact O-N 3.37Å; L467-T470 WeakPolarHBondContact O-CB 3.35Å; L467-T470 PolarHBondContact O-N 3.45Å; L467-Y471 HydrophobicContact CD1-CD2 4.31Å; L467-Y471 HydrophobicContact CD1-CE2 4Å; L467-Y471 HydrophobicContact CG-CD2 4.33Å; L467-Y471 HydrophobicContact CG-CE2 4.19Å; L467-Y471 WeakPolarHBondContact O-CD2 3.41Å; L467-Y471 PolarHBondContact O-N 3.34Å; L467-Y471 VanDerWaalsContact O-N 3.16Å
468I97.3Very high95.9Very high1 Ų126.1 Ų26.11%0.00515%0.147CC..Hα-helixtrans-57.5-44.6173.7-62.6-58.1000111.3I290 L387 L388 Y391 E464 T465 Q466 Y471 L472I290-I468 HydrophobicContact CD1-CB 4.2Å; I290-I468 HydrophobicContact CD1-CG1 4.31Å; I290-I468 HydrophobicContact CD1-CG2 4.02Å; I290-I468 HydrophobicContact CG1-CG2 4.13Å; I290-I468 HydrophobicContact CG2-CG2 4.45Å; L387-I468 HydrophobicContact CD1-CD1 3.75Å; L387-I468 HydrophobicContact CD2-CD1 3.94Å; L387-I468 HydrophobicContact CG-CD1 3.49Å; L387-I468 VanDerWaalsContact CG-CD1 3.49Å; L388-I468 HydrophobicContact CD2-CG2 3.69Å; Y391-I468 HydrophobicContact CD2-CD1 4.42Å; Y391-I468 HydrophobicContact CD2-CG1 3.74Å; Y391-I468 HydrophobicContact CE2-CG1 4.49Å; Y391-I468 HydrophobicContact CG-CD1 4.4Å; Y391-I468 HydrophobicContact CG-CG1 3.99Å; E464-I468 WeakPolarHBondContact O-CG1 3.22Å; E464-I468 PolarHBondContact O-N 3.49Å; T465-I468 WeakPolarHBondContact O-CB 3.46Å; T465-I468 PolarHBondContact O-N 3.04Å; T465-I468 VanDerWaalsContact O-N 3.14Å; Q466-I468 VanDerWaalsContact C-N 3.32Å; Q466-I468 PolarHBondContact O-N 3.35Å; I468-Y471 PolarHBondContact O-N 2.98Å; I468-Y471 VanDerWaalsContact O-N 3.17Å; I468-L472 PolarHBondContact O-N 3.33Å
469F95.9Very high95.9Very high73 Ų7330 Ų3032%0.3217%0.168SC..Hα-helixtrans-67.4-34.8177.4-73.5-76.9000112.5L289 I290 T465 Q466 L467 Y471 L472L289-F469 HydrophobicContact CD2-CE1 4.2Å; L289-F469 HydrophobicContact CD2-CZ 3.75Å; L289-F469 HydrophobicContact CG-CZ 4.46Å; I290-F469 HydrophobicContact CD1-CE2 4.41Å; T465-F469 HydrophobicContact CG2-CD2 3.94Å; T465-F469 HydrophobicContact CG2-CE2 3.63Å; T465-F469 WeakPolarHBondContact O-CD2 3.33Å; T465-F469 PolarHBondContact O-N 3.46Å; Q466-F469 CarbonylContact O-C 3.59Å; Q466-F469 WeakPolarHBondContact O-CA 3.32Å; Q466-F469 PolarHBondContact O-N 3.04Å; L467-F469 VanDerWaalsContact C-N 3.31Å; L467-F469 PolarHBondContact O-N 3.37Å; F469-Y471 PolarHBondContact O-N 2.77Å; F469-L472 HydrophobicContact CB-CD1 4.49Å; F469-L472 HydrophobicContact CD1-CD1 3.42Å; F469-L472 VanDerWaalsContact CD1-CD1 3.42Å; F469-L472 HydrophobicContact CD1-CG 4.38Å; F469-L472 HydrophobicContact CE1-CD1 4.03Å; F469-L472 HydrophobicContact CG-CD1 4.37Å; F469-L472 WeakPolarHBondContact O-CB 3.27Å; F469-L472 PolarHBondContact O-N 3.49Å; F469-L472 VanDerWaalsContact O-N 3.08Å
470T96.3Very high96Very high24 Ų2431.4 Ų31.415%0.14718%0.182CC..Hα-helixtrans-60.6-28.7172.4-56.80000112Q125 F127 L130 Q466 L467 P473Q125-T470 WeakPolarHBondContact O-CG2 3.48Å; F127-T470 WeakPolarHBondContact CB-O 3.44Å; L130-T470 HydrophobicContact CD1-CG2 3.49Å; L130-T470 VanDerWaalsContact CD1-CG2 3.49Å; L130-T470 HydrophobicContact CG-CG2 4.49Å; Q466-T470 PolarHBondContact O-N 3.49Å; Q466-T470 PolarHBondContact O-OG1 3.23Å; Q466-T470 VanDerWaalsContact O-OG1 3.11Å; L467-T470 WeakPolarHBondContact O-CB 3.35Å; L467-T470 PolarHBondContact O-N 3.45Å; T470-P473 VanDerWaalsContact O-CD 3.25Å; T470-P473 WeakPolarHBondContact O-CD 3.27Å
471Y96.8Very high96Very high3 Ų332.2 Ų32.21%0.01219%0.189CC..Hα-helixtrans-81.3-14.2176-87.9-89.9000114.4F127 L130 F383 L387 L467 I468 F469 P473 I474F127-Y471 AromaticContact CD2-CD1 3.96Å; F127-Y471 HydrophobicContact CD2-CD1 3.96Å; F127-Y471 HydrophobicContact CD2-CE1 4.36Å; F127-Y471 HydrophobicContact CD2-CG 4.39Å; F127-Y471 AromaticContact CE2-CD1 3.6Å; F127-Y471 HydrophobicContact CE2-CD1 3.6Å; F127-Y471 AromaticContact CE2-CE1 3.96Å; F127-Y471 HydrophobicContact CE2-CE1 3.96Å; F127-Y471 HydrophobicContact CE2-CG 4.42Å; L130-Y471 HydrophobicContact CD1-CD2 4Å; L130-Y471 HydrophobicContact CD1-CE2 3.57Å; F383-Y471 HydrophobicContact CE1-CD1 4.25Å; F383-Y471 AromaticContact CE1-CE1 3.81Å; F383-Y471 HydrophobicContact CE1-CE1 3.81Å; F383-Y471 HydrophobicContact CZ-CE1 4.32Å; L387-Y471 HydrophobicContact CD2-CD1 3.92Å; L387-Y471 HydrophobicContact CD2-CD2 3.48Å; L387-Y471 VanDerWaalsContact CD2-CD2 3.48Å; L387-Y471 HydrophobicContact CD2-CE1 4.49Å; L387-Y471 HydrophobicContact CD2-CE2 4.08Å; L387-Y471 HydrophobicContact CD2-CG 3.39Å; L467-Y471 HydrophobicContact CD1-CD2 4.31Å; L467-Y471 HydrophobicContact CD1-CE2 4Å; L467-Y471 HydrophobicContact CG-CD2 4.33Å; L467-Y471 HydrophobicContact CG-CE2 4.19Å; L467-Y471 WeakPolarHBondContact O-CD2 3.41Å; L467-Y471 PolarHBondContact O-N 3.34Å; L467-Y471 VanDerWaalsContact O-N 3.16Å; I468-Y471 PolarHBondContact O-N 2.98Å; I468-Y471 VanDerWaalsContact O-N 3.17Å; F469-Y471 PolarHBondContact O-N 2.77Å; Y471-P473 VanDerWaalsContact C-N 3.32Å; Y471-I474 VanDerWaalsContact O-CB 3.22Å; Y471-I474 WeakPolarHBondContact O-CB 3.26Å; Y471-I474 WeakPolarHBondContact O-CG2 3.42Å; Y471-I474 PolarHBondContact O-N 3.31Å
472L94.2Very high96Very high54 Ų5434.7 Ų34.728%0.28320%0.2SC..THydrogen-bonded Turntrans-53.6-35.2-178.1-78.6176000115.8F384 I468 F469 I474 T475F384-L472 HydrophobicContact CE1-CD2 4.44Å; F384-L472 HydrophobicContact CZ-CD2 3.88Å; I468-L472 PolarHBondContact O-N 3.33Å; F469-L472 HydrophobicContact CB-CD1 4.49Å; F469-L472 HydrophobicContact CD1-CD1 3.42Å; F469-L472 VanDerWaalsContact CD1-CD1 3.42Å; F469-L472 HydrophobicContact CD1-CG 4.38Å; F469-L472 HydrophobicContact CE1-CD1 4.03Å; F469-L472 HydrophobicContact CG-CD1 4.37Å; F469-L472 WeakPolarHBondContact O-CB 3.27Å; F469-L472 PolarHBondContact O-N 3.49Å; F469-L472 VanDerWaalsContact O-N 3.08Å; L472-I474 PolarHBondContact O-N 3.47Å; L472-T475 VanDerWaalsContact O-CB 3.3Å; L472-T475 WeakPolarHBondContact O-CB 3.36Å; L472-T475 PolarHBondContact O-N 3.45Å; L472-T475 PolarHBondContact O-OG1 3.2Å
473P95.8Very high96.1Very high63 Ų6336.2 Ų36.241%0.40921%0.212SC..THydrogen-bonded Turntrans-56.1-18.7175-27.537.4000114.3F127 T470 Y471 T475 A476F127-P473 HydrophobicContact CB-CB 4.26Å; F127-P473 HydrophobicContact CB-CG 4.23Å; F127-P473 HydrophobicContact CD1-CB 4.06Å; F127-P473 HydrophobicContact CG-CB 4.26Å; T470-P473 VanDerWaalsContact O-CD 3.25Å; T470-P473 WeakPolarHBondContact O-CD 3.27Å; Y471-P473 VanDerWaalsContact C-N 3.32Å; P473-T475 PolarHBondContact O-N 3.24Å; P473-A476 WeakPolarHBondContact O-CB 3.45Å; P473-A476 PolarHBondContact O-N 2.72Å
474I95.1Very high96.1Very high10 Ų1040.3 Ų40.35%0.05124%0.235CC..Hα-helixtrans-53.7-27.6171.2-159.2169.9000112.5F127 F383 F384 Y471 L472 A476 N477 I478F127-I474 HydrophobicContact CE1-CB 4.35Å; F127-I474 HydrophobicContact CE2-CB 4.04Å; F127-I474 HydrophobicContact CE2-CD1 4.5Å; F127-I474 HydrophobicContact CE2-CG1 4.42Å; F127-I474 HydrophobicContact CZ-CB 3.68Å; F127-I474 HydrophobicContact CZ-CD1 4.22Å; F127-I474 HydrophobicContact CZ-CG1 3.82Å; F383-I474 HydrophobicContact CD1-CD1 3.85Å; F383-I474 HydrophobicContact CE1-CD1 4.33Å; F384-I474 HydrophobicContact CB-CG2 4.15Å; F384-I474 HydrophobicContact CD1-CG2 4.23Å; F384-I474 HydrophobicContact CD2-CG2 3.86Å; F384-I474 HydrophobicContact CE2-CG2 4.34Å; F384-I474 HydrophobicContact CG-CG2 3.83Å; Y471-I474 VanDerWaalsContact O-CB 3.22Å; Y471-I474 WeakPolarHBondContact O-CB 3.26Å; Y471-I474 WeakPolarHBondContact O-CG2 3.42Å; Y471-I474 PolarHBondContact O-N 3.31Å; L472-I474 PolarHBondContact O-N 3.47Å; I474-A476 VanDerWaalsContact C-N 3.29Å; I474-A476 PolarHBondContact O-N 2.96Å; I474-N477 WeakPolarHBondContact O-CB 3.44Å; I474-N477 PolarHBondContact O-N 2.92Å; I474-N477 VanDerWaalsContact O-N 3.11Å; I474-I478 HydrophobicContact CG1-CD1 4.13Å; I474-I478 HydrophobicContact CG1-CG1 4.37Å; I474-I478 HydrophobicContact CG2-CD1 4.19Å; I474-I478 VanDerWaalsContact O-CG1 3.3Å; I474-I478 WeakPolarHBondContact O-CG1 3.39Å; I474-I478 PolarHBondContact O-N 3.36Å
475T94.4Very high96.1Very high38 Ų3840.6 Ų40.623%0.23324%0.237CC..Hα-helixtrans-57-42.9176.3-49.60000111.6F297 L472 P473 N477 I478 L479F297-T475 HydrophobicContact CE1-CG2 4.35Å; F297-T475 HydrophobicContact CZ-CG2 3.9Å; F297-T475 WeakPolarHBondContact CZ-OG1 3.45Å; L472-T475 VanDerWaalsContact O-CB 3.3Å; L472-T475 WeakPolarHBondContact O-CB 3.36Å; L472-T475 PolarHBondContact O-N 3.45Å; L472-T475 PolarHBondContact O-OG1 3.2Å; P473-T475 PolarHBondContact O-N 3.24Å; T475-N477 VanDerWaalsContact C-N 3.32Å; T475-N477 PolarHBondContact O-N 3.45Å; T475-I478 PolarHBondContact O-N 3.18Å; T475-L479 HydrophobicContact CG2-CD1 4.09Å; T475-L479 HydrophobicContact CG2-CG 4.43Å; T475-L479 WeakPolarHBondContact O-CB 3.03Å; T475-L479 WeakPolarHBondContact O-CG 3.38Å; T475-L479 PolarHBondContact O-N 3.33Å
476A95.8Very high96.1Very high67 Ų6741.6 Ų41.655%0.55424%0.241SC*.Hα-helixtrans-64.3-40.3177.800000111P473 I474 L479 G480P473-A476 WeakPolarHBondContact O-CB 3.45Å; P473-A476 PolarHBondContact O-N 2.72Å; I474-A476 VanDerWaalsContact C-N 3.29Å; I474-A476 PolarHBondContact O-N 2.96Å; A476-L479 PolarHBondContact O-N 3.48Å; A476-G480 PolarHBondContact O-N 3.21Å
477N94.9Very high96.2Very high82 Ų8243.3 Ų43.344%0.43925%0.254SS..Hα-helixtrans-66.7-37.6177.3-69.1-6.8000112.5I474 T475 A481I474-N477 WeakPolarHBondContact O-CB 3.44Å; I474-N477 PolarHBondContact O-N 2.92Å; I474-N477 VanDerWaalsContact O-N 3.11Å; T475-N477 VanDerWaalsContact C-N 3.32Å; T475-N477 PolarHBondContact O-N 3.45Å; N477-A481 VanDerWaalsContact O-CB 3.29Å; N477-A481 WeakPolarHBondContact O-CB 3.24Å; N477-A481 PolarHBondContact O-N 2.86Å
478I96Very high96.2Very high3 Ų347.3 Ų47.32%0.01527%0.272CS..Hα-helixtrans-66.3-50.1176.4-69163.8000110.2V377 K380 L381 I474 T475 G480 A481 F482V377-I478 HydrophobicContact CG1-CG2 4.12Å; K380-I478 HydrophobicContact CB-CD1 4.24Å; K380-I478 HydrophobicContact CB-CG1 3.67Å; L381-I478 HydrophobicContact CD1-CG2 4.25Å; L381-I478 HydrophobicContact CD2-CD1 4.07Å; L381-I478 HydrophobicContact CD2-CG2 3.88Å; L381-I478 HydrophobicContact CG-CD1 4.33Å; L381-I478 HydrophobicContact CG-CG2 3.78Å; I474-I478 HydrophobicContact CG1-CD1 4.13Å; I474-I478 HydrophobicContact CG1-CG1 4.37Å; I474-I478 HydrophobicContact CG2-CD1 4.19Å; I474-I478 VanDerWaalsContact O-CG1 3.3Å; I474-I478 WeakPolarHBondContact O-CG1 3.39Å; I474-I478 PolarHBondContact O-N 3.36Å; T475-I478 PolarHBondContact O-N 3.18Å; I478-G480 VanDerWaalsContact C-N 3.35Å; I478-G480 PolarHBondContact O-N 2.82Å; I478-A481 PolarHBondContact O-N 3.46Å; I478-F482 WeakPolarHBondContact O-CB 3.37Å; I478-F482 PolarHBondContact O-N 3.47Å
479L96.2Very high96.1Very high87 Ų8747.2 Ų47.246%0.45527%0.272SS..Hα-helixtrans-65.2-39.9179.7-67.2176.9000111.6T475 A476 F482 V483T475-L479 HydrophobicContact CG2-CD1 4.09Å; T475-L479 HydrophobicContact CG2-CG 4.43Å; T475-L479 WeakPolarHBondContact O-CB 3.03Å; T475-L479 WeakPolarHBondContact O-CG 3.38Å; T475-L479 PolarHBondContact O-N 3.33Å; A476-L479 PolarHBondContact O-N 3.48Å; L479-F482 PolarHBondContact O-N 2.96Å; L479-V483 WeakPolarHBondContact O-CG2 3.48Å; L479-V483 PolarHBondContact O-N 3.07Å
480G97.2Very high96.1Very high30 Ų3049.5 Ų49.531%0.30928%0.283SS..Hα-helixtrans-61.5-45.5174.200000112.3A476 I478 F482 V483 N484A476-G480 PolarHBondContact O-N 3.21Å; I478-G480 VanDerWaalsContact C-N 3.35Å; I478-G480 PolarHBondContact O-N 2.82Å; G480-F482 VanDerWaalsContact C-N 3.32Å; G480-F482 PolarHBondContact O-N 3.21Å; G480-V483 PolarHBondContact O-N 3.15Å; G480-N484 WeakPolarHBondContact O-CB 3.49Å; G480-N484 PolarHBondContact O-N 3.21Å; G480-N484 PolarHBondContact O-ND2 2.86Å
481A96.3Very high96.1Very high17 Ų1756.1 Ų56.114%0.1431%0.306CS..Hα-helixtrans-61.1-41.3175.100000112D376 V377 N477 I478 N484 S485D376-A481 HydrophobicContact CB-CB 4.19Å; V377-A481 HydrophobicContact CG2-CB 4.31Å; N477-A481 VanDerWaalsContact O-CB 3.29Å; N477-A481 WeakPolarHBondContact O-CB 3.24Å; N477-A481 PolarHBondContact O-N 2.86Å; I478-A481 PolarHBondContact O-N 3.46Å; A481-N484 PolarHBondContact O-N 3.21Å; A481-S485 WeakPolarHBondContact O-CB 3.49Å; A481-S485 PolarHBondContact O-N 3.41Å
482F96.6Very high96.1Very high54 Ų5457.6 Ų57.624%0.23731%0.313CS..Hα-helixtrans-62.8-50.7177.3175.8-105.3000112.3M307 V377 I478 L479 G480 N484 S485 Q486M307-F482 HydrophobicContact CE-CE2 3.58Å; M307-F482 HydrophobicContact CE-CZ 3.47Å; M307-F482 VanDerWaalsContact CE-CZ 3.47Å; M307-F482 HydrophobicContact SD-CE2 3.74Å; M307-F482 HydrophobicContact SD-CZ 3.78Å; V377-F482 HydrophobicContact CG1-CB 4.06Å; V377-F482 HydrophobicContact CG1-CD2 4.28Å; V377-F482 HydrophobicContact CG2-CB 3.9Å; V377-F482 HydrophobicContact CG2-CD2 4.37Å; I478-F482 WeakPolarHBondContact O-CB 3.37Å; I478-F482 PolarHBondContact O-N 3.47Å; L479-F482 PolarHBondContact O-N 2.96Å; G480-F482 VanDerWaalsContact C-N 3.32Å; G480-F482 PolarHBondContact O-N 3.21Å; F482-N484 VanDerWaalsContact C-N 3.33Å; F482-N484 PolarHBondContact O-N 3.29Å; F482-S485 PolarHBondContact O-N 3.07Å; F482-Q486 HydrophobicContact CE1-CG 4.27Å; F482-Q486 HydrophobicContact CE2-CG 4.15Å; F482-Q486 HydrophobicContact CZ-CG 3.99Å; F482-Q486 WeakPolarHBondContact O-CG 3.43Å; F482-Q486 PolarHBondContact O-N 3.31Å
483V97.6Very high96.1Very high79 Ų7956 Ų5648%0.47930%0.304SS..Hα-helixtrans-59.5-45.8177.5172.40000110.6L479 G480 S485 Q486 V487L479-V483 WeakPolarHBondContact O-CG2 3.48Å; L479-V483 PolarHBondContact O-N 3.07Å; G480-V483 PolarHBondContact O-N 3.15Å; V483-S485 VanDerWaalsContact C-N 3.32Å; V483-S485 PolarHBondContact O-N 3Å; V483-Q486 PolarHBondContact O-N 2.94Å; V483-V487 HydrophobicContact CG1-CG2 4.17Å; V483-V487 WeakPolarHBondContact O-CB 3.44Å; V483-V487 WeakPolarHBondContact O-CG2 3.45Å; V483-V487 PolarHBondContact O-N 3.47Å
484N96.9Very high96.1Very high109 Ų10954.2 Ų54.258%0.58330%0.297SS*.Hα-helixtrans-60.2-42.4178.3-73.5-19.7000111.8G480 A481 F482 V487 Q488G480-N484 WeakPolarHBondContact O-CB 3.49Å; G480-N484 PolarHBondContact O-N 3.21Å; G480-N484 PolarHBondContact O-ND2 2.86Å; A481-N484 PolarHBondContact O-N 3.21Å; F482-N484 VanDerWaalsContact C-N 3.33Å; F482-N484 PolarHBondContact O-N 3.29Å; N484-V487 PolarHBondContact O-N 2.89Å; N484-Q488 WeakPolarHBondContact O-CB 3.13Å; N484-Q488 PolarHBondContact O-N 3.48Å
485S96.3Very high96.1Very high6 Ų657.7 Ų57.74%0.04232%0.315CS..Hα-helixtrans-62.4-44.5177.6-167.20000112.2E373 A481 F482 V483 G489E373-S485 WeakPolarHBondContact CG-OG 3.46Å; A481-S485 WeakPolarHBondContact O-CB 3.49Å; A481-S485 PolarHBondContact O-N 3.41Å; F482-S485 PolarHBondContact O-N 3.07Å; V483-S485 VanDerWaalsContact C-N 3.32Å; V483-S485 PolarHBondContact O-N 3Å; S485-G489 PolarHBondContact O-N 3.03Å
486Q96.3Very high96Very high33 Ų3356.3 Ų56.315%0.15431%0.307CS..Hα-helixtrans-64.3-48177.4-65.1-57.5-48.500111.8E373 F482 V483 Q488 G489 H490E373-Q486 PolarHBondContact OE1-NE2 3.27Å; F482-Q486 HydrophobicContact CE1-CG 4.27Å; F482-Q486 HydrophobicContact CE2-CG 4.15Å; F482-Q486 HydrophobicContact CZ-CG 3.99Å; F482-Q486 WeakPolarHBondContact O-CG 3.43Å; F482-Q486 PolarHBondContact O-N 3.31Å; V483-Q486 PolarHBondContact O-N 2.94Å; Q486-Q488 PolarHBondContact O-N 3.11Å; Q486-G489 PolarHBondContact O-N 3.19Å; Q486-H490 WeakPolarHBondContact O-CB 3.43Å; Q486-H490 PolarHBondContact O-CD2 2.84Å; Q486-H490 VanDerWaalsContact O-CG 3.23Å; Q486-H490 PolarHBondContact O-N 3.37Å
487V97.4Very high95.9Very high75 Ų7558.1 Ų58.146%0.45530%0.299SS..Hα-helixtrans-61.4-46.6-179.8170.10000110.7V483 N484 R491V483-V487 HydrophobicContact CG1-CG2 4.17Å; V483-V487 WeakPolarHBondContact O-CB 3.44Å; V483-V487 WeakPolarHBondContact O-CG2 3.45Å; V483-V487 PolarHBondContact O-N 3.47Å; N484-V487 PolarHBondContact O-N 2.89Å; V487-R491 WeakPolarHBondContact O-CB 3.35Å; V487-R491 PolarHBondContact O-N 3.36Å
488Q96.4Very high95.6Very high85 Ų8559 Ų5940%0.39730%0.304SS..Hα-helixtrans-65.4-47.3179.6-179.4170.11.200111.3R372 N484 Q486 H490 R491 E492R372-Q488 VanDerWaalsContact NH1-NE2 3.13Å; N484-Q488 WeakPolarHBondContact O-CB 3.13Å; N484-Q488 PolarHBondContact O-N 3.48Å; Q486-Q488 PolarHBondContact O-N 3.11Å; Q488-H490 PolarHBondContact O-N 3.29Å; Q488-R491 PolarHBondContact O-N 3.22Å; Q488-E492 HydrophobicContact CG-CG 4.27Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 3.02Å; Q488-E492 WeakPolarHBondContact O-CB 3.41Å; Q488-E492 VanDerWaalsContact O-CG 3.28Å; Q488-E492 WeakPolarHBondContact O-CG 3.31Å; Q488-E492 PolarHBondContact O-N 2.98Å
489G95.3Very high95.2Very high0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-61.1-44.7179.300000112.9Q369 S485 Q486 R491 E492 M493Q369-G489 VanDerWaalsContact OE1-CA 3.3Å; S485-G489 PolarHBondContact O-N 3.03Å; Q486-G489 PolarHBondContact O-N 3.19Å; G489-R491 PolarHBondContact O-N 2.82Å; G489-E492 PolarHBondContact O-N 3.46Å; G489-M493 WeakPolarHBondContact O-CB 3.25Å; G489-M493 VanDerWaalsContact O-CG 3.26Å; G489-M493 WeakPolarHBondContact O-CG 3.44Å; G489-M493 PolarHBondContact O-N 3.05Å
490H95.9Very high94.7Very high120 Ų12060.4 Ų60.456%0.55631%0.309SS*.Hα-helixtrans-65.8-37.9176.4-67.4-19.6000113.2Q486 Q488 G494Q486-H490 WeakPolarHBondContact O-CB 3.43Å; Q486-H490 PolarHBondContact O-CD2 2.84Å; Q486-H490 VanDerWaalsContact O-CG 3.23Å; Q486-H490 PolarHBondContact O-N 3.37Å; Q488-H490 PolarHBondContact O-N 3.29Å; H490-G494 PolarHBondContact O-N 3.42Å
491R97.5Very high93.9Very high164 Ų16465.1 Ų65.162%0.61932%0.322SS*.Hα-helixtrans-62.9-53.3174.3-178.2-176.8-66165.5-0.7110.8V487 Q488 G489 M493 G494 D495V487-R491 WeakPolarHBondContact O-CB 3.35Å; V487-R491 PolarHBondContact O-N 3.36Å; Q488-R491 PolarHBondContact O-N 3.22Å; G489-R491 PolarHBondContact O-N 2.82Å; R491-M493 VanDerWaalsContact C-N 3.31Å; R491-M493 PolarHBondContact O-N 3.33Å; R491-G494 PolarHBondContact O-N 3.48Å; R491-G494 VanDerWaalsContact O-N 3.1Å; R491-D495 PolarHBondContact O-N 2.91Å
492E95.8Very high92.9Very high33 Ų3368.5 Ų68.515%0.15434%0.343CS..Hα-helixtrans-58.5-42.3-179-72.5169.317400111.9K365 R372 Q488 G489 V496K365-E492 HydrophobicContact CD-CB 4.2Å; K365-E492 HydrophobicContact CG-CB 4.33Å; R372-E492 IonicContact CZ-OE1 2.73Å; R372-E492 IonicContact CZ-OE2 3.92Å; R372-E492 IonicContact NH1-OE1 3.16Å; R372-E492 PolarHBondContact NH1-OE1 3.19Å; R372-E492 VanDerWaalsContact NH1-OE1 3.13Å; R372-E492 IonicContact NH1-OE2 3.09Å; R372-E492 PolarHBondContact NH1-OE2 3.23Å; R372-E492 IonicContact NH2-OE1 2.61Å; R372-E492 IonicContact NH2-OE2 3.6Å; R372-E492 PolarHBondContact NH2-OE2 3.21Å; Q488-E492 HydrophobicContact CG-CG 4.27Å; Q488-E492 WeakPolarHBondContact CG-OE1 3.43Å; Q488-E492 PolarHBondContact NE2-OE1 3.02Å; Q488-E492 WeakPolarHBondContact O-CB 3.41Å; Q488-E492 VanDerWaalsContact O-CG 3.28Å; Q488-E492 WeakPolarHBondContact O-CG 3.31Å; Q488-E492 PolarHBondContact O-N 2.98Å; G489-E492 PolarHBondContact O-N 3.46Å; E492-V496 WeakPolarHBondContact O-CG2 3.42Å; E492-V496 PolarHBondContact O-N 3.4Å
493M95.1Very high91.8Very high22 Ų2269.9 Ų69.911%0.10835%0.349CS..Hα-helixtrans-66.1-44.5174.6-71.7-65.4-69.200111.8L318 L362 K365 A366 G489 R491 D495 V496 W497L318-M493 HydrophobicContact CD1-CE 3.98Å; L362-M493 HydrophobicContact CB-CE 4.24Å; L362-M493 HydrophobicContact CD2-CE 3.62Å; L362-M493 HydrophobicContact CD2-SD 3.96Å; K365-M493 HydrophobicContact CB-CG 4.46Å; K365-M493 HydrophobicContact CB-SD 3.71Å; A366-M493 HydrophobicContact CB-SD 4.44Å; G489-M493 WeakPolarHBondContact O-CB 3.25Å; G489-M493 VanDerWaalsContact O-CG 3.26Å; G489-M493 WeakPolarHBondContact O-CG 3.44Å; G489-M493 PolarHBondContact O-N 3.05Å; R491-M493 VanDerWaalsContact C-N 3.31Å; R491-M493 PolarHBondContact O-N 3.33Å; M493-D495 VanDerWaalsContact C-N 3.33Å; M493-D495 PolarHBondContact O-N 3.43Å; M493-V496 PolarHBondContact O-N 3.31Å; M493-W497 PolarHBondContact O-N 2.74Å
494G95.6Very high90.4Very high24 Ų2469 Ų6925%0.24734%0.341CS..Hα-helixtrans-60.9-40.6179.300000112.8H490 R491 V496 W497 N498H490-G494 PolarHBondContact O-N 3.42Å; R491-G494 PolarHBondContact O-N 3.48Å; R491-G494 VanDerWaalsContact O-N 3.1Å; G494-V496 PolarHBondContact O-N 3.17Å; G494-W497 PolarHBondContact O-N 2.65Å; G494-N498 WeakPolarHBondContact O-CB 3.45Å; G494-N498 PolarHBondContact O-N 2.98Å; G494-N498 PolarHBondContact O-ND2 3.47Å; G494-N498 VanDerWaalsContact O-ND2 3.11Å
495D94.9Very high88.7Confident83 Ų8366 Ų6644%0.44434%0.336SS..Hα-helixtrans-59.5-46.9176.9-66.4-22.4000110.8R491 M493 W497 N498 E499R491-D495 PolarHBondContact O-N 2.91Å; M493-D495 VanDerWaalsContact C-N 3.33Å; M493-D495 PolarHBondContact O-N 3.43Å; D495-W497 PolarHBondContact O-N 3.14Å; D495-N498 PolarHBondContact O-N 3.2Å; D495-E499 WeakPolarHBondContact O-CG 3.2Å; D495-E499 PolarHBondContact O-N 3.04Å
496V93.1Very high86.8Confident9 Ų970.7 Ų70.76%0.05537%0.367CS..Hα-helixtrans-65.3-40.6177.7-177.10000111.6V361 L362 K365 E492 M493 G494 N498 E499 L500V361-V496 HydrophobicContact CG1-CG1 4.39Å; V361-V496 HydrophobicContact CG1-CG2 3.97Å; L362-V496 HydrophobicContact CD1-CG1 4.44Å; L362-V496 HydrophobicContact CD2-CB 3.64Å; L362-V496 HydrophobicContact CD2-CG1 3.52Å; L362-V496 HydrophobicContact CG-CB 4.27Å; L362-V496 HydrophobicContact CG-CG1 3.58Å; K365-V496 HydrophobicContact CG-CG2 4.33Å; E492-V496 WeakPolarHBondContact O-CG2 3.42Å; E492-V496 PolarHBondContact O-N 3.4Å; M493-V496 PolarHBondContact O-N 3.31Å; G494-V496 PolarHBondContact O-N 3.17Å; V496-N498 VanDerWaalsContact C-N 3.35Å; V496-N498 PolarHBondContact O-N 2.8Å; V496-E499 PolarHBondContact O-N 3.39Å; V496-L500 WeakPolarHBondContact O-CB 3.48Å; V496-L500 PolarHBondContact O-N 3.31Å
497W91.8Very high85Confident105 Ų10570.2 Ų70.240%0.39837%0.366SS..Hα-helixtrans-63.8-38.5175.4-73122.2000112.9F359 L362 M493 G494 D495 L500 Q501F359-W497 HydrophobicContact CE1-CH2 4.02Å; F359-W497 AromaticContact CZ-CH2 3.88Å; F359-W497 HydrophobicContact CZ-CH2 3.88Å; F359-W497 HydrophobicContact CZ-CZ3 4.17Å; L362-W497 HydrophobicContact CD1-CD2 4.18Å; L362-W497 HydrophobicContact CD1-CE3 4.08Å; L362-W497 HydrophobicContact CD1-CH2 3.42Å; L362-W497 VanDerWaalsContact CD1-CH2 3.42Å; L362-W497 HydrophobicContact CD1-CZ2 3.52Å; L362-W497 HydrophobicContact CD1-CZ3 3.72Å; L362-W497 HydrophobicContact CD2-CD2 4.08Å; L362-W497 HydrophobicContact CD2-CG 4.34Å; L362-W497 HydrophobicContact CD2-CZ2 4.1Å; L362-W497 HydrophobicContact CG-CZ2 4.43Å; M493-W497 PolarHBondContact O-N 2.74Å; G494-W497 PolarHBondContact O-N 2.65Å; D495-W497 PolarHBondContact O-N 3.14Å; W497-L500 HydrophobicContact CE3-CD2 3.56Å; W497-L500 HydrophobicContact CZ3-CD2 3.44Å; W497-L500 VanDerWaalsContact CZ3-CD2 3.44Å; W497-L500 WeakPolarHBondContact O-CB 3.36Å; W497-L500 PolarHBondContact O-N 2.91Å; W497-Q501 PolarHBondContact O-N 3.43Å
498N90.4Very high83Confident102 Ų10271.5 Ų71.555%0.54537%0.365SS..Hα-helixtrans-66.8-37.1176.3-72.3-33.9000111.7G494 D495 V496 L500 P502G494-N498 WeakPolarHBondContact O-CB 3.45Å; G494-N498 PolarHBondContact O-N 2.98Å; G494-N498 PolarHBondContact O-ND2 3.47Å; G494-N498 VanDerWaalsContact O-ND2 3.11Å; D495-N498 PolarHBondContact O-N 3.2Å; V496-N498 VanDerWaalsContact C-N 3.35Å; V496-N498 PolarHBondContact O-N 2.8Å; N498-L500 VanDerWaalsContact C-N 3.29Å; N498-P502 WeakPolarHBondContact O-CD 3.28Å
499E87.7Confident81.1Confident116 Ų11670.4 Ų70.454%0.54238%0.377SS..Hα-helixtrans-67.6-30.1172.8-72.2179.9-17100112.6D495 V496 P502D495-E499 WeakPolarHBondContact O-CG 3.2Å; D495-E499 PolarHBondContact O-N 3.04Å; V496-E499 PolarHBondContact O-N 3.39Å; E499-P502 WeakPolarHBondContact O-CD 3.28Å
500L84.6Confident78.9Confident3 Ų376 Ų762%0.01642%0.416CS..Hα-helixtrans-75.6-37.9178.9-163.168.5000113.2L355 E358 F359 V496 W497 N498 K503 L504L355-L500 HydrophobicContact CD1-CD1 3.18Å; L355-L500 HydrophobicContact CD1-CD2 3.79Å; L355-L500 HydrophobicContact CD1-CG 3.76Å; E358-L500 HydrophobicContact CB-CD1 3.55Å; E358-L500 HydrophobicContact CG-CD1 3.58Å; F359-L500 HydrophobicContact CE2-CD2 4.41Å; V496-L500 WeakPolarHBondContact O-CB 3.48Å; V496-L500 PolarHBondContact O-N 3.31Å; W497-L500 HydrophobicContact CE3-CD2 3.56Å; W497-L500 HydrophobicContact CZ3-CD2 3.44Å; W497-L500 VanDerWaalsContact CZ3-CD2 3.44Å; W497-L500 WeakPolarHBondContact O-CB 3.36Å; W497-L500 PolarHBondContact O-N 2.91Å; N498-L500 VanDerWaalsContact C-N 3.29Å; L500-K503 WeakPolarHBondContact O-CA 3.33Å; L500-K503 WeakPolarHBondContact O-CB 3.42Å; L500-K503 PolarHBondContact O-N 3.29Å; L500-L504 HydrophobicContact CG-CG 4.5Å; L500-L504 PolarHBondContact O-N 3.11Å
501Q79.7Confident76.8Confident128 Ų12876.7 Ų76.760%0.59842%0.424SS*.Hα-helixtrans-50.6-48.6-175.3-171.3177.58.400114.5W497 K503 L504W497-Q501 PolarHBondContact O-N 3.43Å; Q501-K503 VanDerWaalsContact C-N 3.31Å; Q501-K503 PolarHBondContact O-N 3.31Å; Q501-L504 PolarHBondContact O-N 3.07Å
502P77.1Confident74.5Confident88 Ų8875 Ų7557%0.57143%0.427SS*.Hα-helixtrans-67.6-30.2177.526.4-34.5000112.8N498 E499 L504 G505N498-P502 WeakPolarHBondContact O-CD 3.28Å; E499-P502 WeakPolarHBondContact O-CD 3.28Å; P502-L504 VanDerWaalsContact C-N 3.26Å; P502-L504 PolarHBondContact O-N 3.42Å; P502-G505 PolarHBondContact O-N 2.96Å; P502-G505 VanDerWaalsContact O-N 3.14Å
503K73Confident72.4Confident84 Ų8477.2 Ų77.237%0.36546%0.458SS..Hα-helixtrans-66.7-29.5177.7-60173.8-177.1165.90111.6E358 L500 Q501 C506E358-K503 IonicContact OE1-NZ 3.98Å; E358-K503 PolarHBondContact OE1-NZ 3.21Å; E358-K503 IonicContact OE2-NZ 3.14Å; L500-K503 WeakPolarHBondContact O-CA 3.33Å; L500-K503 WeakPolarHBondContact O-CB 3.42Å; L500-K503 PolarHBondContact O-N 3.29Å; Q501-K503 VanDerWaalsContact C-N 3.31Å; Q501-K503 PolarHBondContact O-N 3.31Å; K503-C506 PolarHBondContact O-N 3.18Å
504L67.9Low70.2Confident60 Ų6083 Ų8331%0.31449%0.489SS..Hα-helixtrans-70-28.7173-63.2173.8000113.2L355 L500 Q501 P502 C506 L507 F508L355-L504 HydrophobicContact CD1-CD2 4.19Å; L355-L504 HydrophobicContact CD2-CD2 4.04Å; L500-L504 HydrophobicContact CG-CG 4.5Å; L500-L504 PolarHBondContact O-N 3.11Å; Q501-L504 PolarHBondContact O-N 3.07Å; P502-L504 VanDerWaalsContact C-N 3.26Å; P502-L504 PolarHBondContact O-N 3.42Å; L504-C506 PolarHBondContact O-N 2.88Å; L504-L507 HydrophobicContact CD2-CD1 3.63Å; L504-L507 WeakPolarHBondContact O-CB 3.26Å; L504-L507 PolarHBondContact O-N 2.67Å; L504-F508 PolarHBondContact O-N 3.26Å
505G61.3Low67.9Low46 Ų4690.8 Ų90.847%0.47452%0.516SS..Hα-helixtrans-63.4-27175.400000113.3P502P502-G505 PolarHBondContact O-N 2.96Å; P502-G505 VanDerWaalsContact O-N 3.14Å
506C55.4Low65.2Low104 Ų10491.9 Ų91.970%0.70353%0.528SS*.Hα-helixtrans-78.4-22.8173.5-61.50000113.2K503 L504K503-C506 PolarHBondContact O-N 3.18Å; L504-C506 PolarHBondContact O-N 2.88Å
507L58.8Low63.2Low23 Ų2397.6 Ų97.612%0.1257%0.565CS.*Hα-helixtrans-77.6-36.5-179.9-86.9156.1000112.7L348 L355 L504L348-L507 HydrophobicContact CD1-CD2 3.36Å; L355-L507 HydrophobicContact CD2-CD1 4.17Å; L504-L507 HydrophobicContact CD2-CD1 3.63Å; L504-L507 WeakPolarHBondContact O-CB 3.26Å; L504-L507 PolarHBondContact O-N 2.67Å
508F56.5Low61Low102 Ų102103.5 Ų103.545%0.44760%0.602SS.*SBendtrans-125.596.1-177.3-50.3-81000108.2L504 S510 N512L504-F508 PolarHBondContact O-N 3.26Å; F508-S510 PolarHBondContact O-N 2.98Å; F508-N512 HydrophobicContact CB-CB 3.78Å
509G55.4Low59.5Low62 Ų62103.6 Ų103.664%0.63961%0.605SS**THydrogen-bonded Turntrans-41.1127.9-172.400000113.5N511G509-N511 PolarHBondContact O-N 3.07Å
510S49.2Very low58Low117 Ų117102.9 Ų102.982%0.81861%0.608SS**THydrogen-bonded Turntrans33.4-25175.5-48.20000122.3F508F508-S510 PolarHBondContact O-N 2.98Å
511N51.3Low56.6Low136 Ų136108.4 Ų108.473%0.72764%0.641SS**THydrogen-bonded Turntrans-134.43.7-165.3-91.20.5000116.6G509G509-N511 PolarHBondContact O-N 3.07Å
512N50.9Low55.2Low129 Ų129107.3 Ų107.369%0.6964%0.644SS**SBendtrans-113.276.4-175.2-79.8-13.2000112.2F508F508-N512 HydrophobicContact CB-CB 3.78Å
513G51.2Low53.8Low78 Ų78108.5 Ų108.580%0.80465%0.648SS**SBendtrans165.7-18.2173.400000114.6
514L49.4Very low52.6Low144 Ų144110.1 Ų110.175%0.75467%0.667SS**SBendtrans-88.1140.3169.6-74.9161.4000109.8
515K45.9Very low51.5Low187 Ų187113.7 Ų113.781%0.81369%0.692SS**PPolyproline II helixtrans-47.3132.6172-88.2178172.8176.70109.3
516P39.7Very low50.7Low107 Ų107118.9 Ų118.970%0.69571%0.709SS**PPolyproline II helixtrans-56.8140.3165.625.9-31.3000108I518P516-I518 PolarHBondContact O-N 3.24Å
517P50.3Low50.3Low129 Ų129120.2 Ų120.284%0.83871%0.71SS**PPolyproline II helixtrans-59.2128.2176.225.3-31000108.2
518I45.3Very low49.6Very low228 Ų228129 Ų129100%1.16976%0.763SS**  trans-66.50174.6-62.6173.5000109.1P516P516-I518 PolarHBondContact O-N 3.24Å

Retrieved 518 of 518 residues in 154 ms (Link to these results)

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